#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 4.37 0.10 0.99 1.43 -1.26 -5.06 118.68 119.25 2jg1 s LEU -6 Ca 0.00 1.06 -0.31 0.00 -1.03 0.00 0.00 54.13 53.85 2jg1 s LEU -6 Cb 0.00 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 42.98 2jg1 s LEU -6 CO 0.00 0.14 1.53 -0.69 0.23 0.00 0.00 176.35 177.56 2jg1 s VAL -5 N -1.40 3.05 0.59 -1.59 1.01 -1.26 -4.99 120.40 115.82 2jg1 s VAL -5 Ca 0.36 0.66 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 2jg1 s VAL -5 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2jg1 s VAL -5 CO 0.19 0.03 1.11 -2.84 0.00 0.00 0.00 175.10 173.58 2jg1 s PRO -4 N 1.77 3.13 -0.04 2.72 0.02 -1.26 -4.99 135.00 136.35 2jg1 s PRO -4 Ca 0.69 1.47 0.06 0.00 0.02 0.00 0.00 61.00 63.24 2jg1 s PRO -4 Cb -0.39 -1.99 0.09 0.00 0.02 0.00 0.00 34.50 32.23 2jg1 s PRO -4 CO 0.31 -1.00 0.96 0.54 -0.33 0.00 0.00 177.00 177.48 2jg1 n ARG -3 N -1.83 1.62 0.00 5.54 1.74 -1.26 -5.06 116.66 117.40 2jg1 n ARG -3 Ca 0.11 -1.61 0.00 0.00 -0.77 0.00 0.00 57.85 55.58 2jg1 n ARG -3 Cb 0.52 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.65 2.36 0.32 -0.13 0.00 -1.26 -5.04 105.19 100.79 2jg1 n GLY -2 Ca 0.05 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.41 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 2.32 -4.55 1.61 3.41 -1.26 -4.62 113.62 110.52 2jg1 n SER -1 Ca 0.00 -1.87 -0.39 0.00 -0.26 0.00 0.00 58.87 56.35 2jg1 n SER -1 Cb 0.00 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.91 2.16 -0.05 7.33 5.04 -1.26 -2.16 115.29 125.43 2jg1 s HIS 0 Ca 0.11 0.02 0.04 0.00 -1.54 0.00 0.00 55.06 53.69 2jg1 s HIS 0 Cb 0.06 -4.47 -0.00 0.00 0.04 0.00 0.00 32.58 28.21 2jg1 s HIS 0 CO 0.08 -2.06 -0.17 0.42 -2.34 0.00 0.00 174.74 170.67 2jg1 s ILE 2 N 6.73 1.44 -0.20 0.89 1.01 -0.31 -4.73 121.20 126.03 2jg1 s ILE 2 Ca 0.48 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 2jg1 s ILE 2 Cb -0.07 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 2jg1 s ILE 2 CO 0.09 0.42 0.09 -0.22 0.00 0.00 0.00 174.94 175.31 2jg1 s LEU 3 N 0.13 3.86 0.06 2.97 2.96 -0.25 -0.82 118.68 127.58 2jg1 s LEU 3 Ca -0.06 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2jg1 s LEU 3 Cb -0.12 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2jg1 s LEU 3 CO 0.03 0.12 0.09 0.42 -1.32 0.00 0.00 176.35 175.70 2jg1 s THR 4 N 0.67 4.67 -0.13 3.68 -4.23 -0.40 -0.94 115.64 118.96 2jg1 s THR 4 Ca 0.05 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2jg1 s THR 4 Cb -0.13 -3.23 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 2jg1 s THR 4 CO 0.01 0.18 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.33 2jg1 s LEU 5 N -2.26 2.34 -0.43 4.79 1.02 0.18 -1.23 118.68 123.09 2jg1 s LEU 5 Ca 0.29 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.95 2jg1 s LEU 5 Cb -0.12 -1.51 0.13 0.00 0.02 0.00 0.00 46.19 44.71 2jg1 s LEU 5 CO 0.21 0.11 0.22 -0.89 0.02 0.00 0.00 176.35 176.02 2jg1 s THR 6 N 0.64 1.54 -0.25 5.49 2.01 -0.47 -3.31 115.64 121.28 2jg1 s THR 6 Ca -0.10 -2.54 0.26 0.00 0.31 0.00 0.00 61.69 59.62 2jg1 s THR 6 Cb -0.16 -2.08 0.35 0.00 0.01 0.00 0.00 72.50 70.61 2jg1 s THR 6 CO 0.02 -0.85 1.73 -0.07 -0.69 0.00 0.00 174.62 174.76 2jg1 h LEU 7 N 6.85 0.00 -6.09 4.42 3.38 -1.83 -3.20 115.31 118.84 2jg1 h LEU 7 Ca -0.03 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.36 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 0.51 0.02 -0.93 -3.20 0.09 0.00 0.00 178.44 174.93 2jg1 n ASN 8 N -3.11 1.37 -4.73 -0.43 5.15 -1.26 -4.12 115.26 108.13 2jg1 n ASN 8 Ca 0.03 -2.93 -0.29 0.00 -0.60 0.00 0.00 54.58 50.78 2jg1 n ASN 8 Cb 0.46 -0.65 0.14 0.00 -0.53 0.00 0.00 39.78 39.21 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 -1.57 1.13 0.03 1.20 0.04 -1.26 -4.85 135.00 129.72 2jg1 s PRO 9 Ca 0.36 0.63 -0.06 0.00 0.04 0.00 0.00 61.00 61.97 2jg1 s PRO 9 Cb 0.16 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 2jg1 s PRO 9 CO -0.08 -2.28 0.10 -1.54 0.04 0.00 0.00 177.00 173.24 2jg1 s SER 10 N -3.60 0.14 -0.52 6.66 1.04 -0.47 -4.18 113.70 112.78 2jg1 s SER 10 Ca 0.64 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 56.43 2jg1 s SER 10 Cb -0.17 0.21 0.06 0.00 0.10 0.00 0.00 66.02 66.22 2jg1 s SER 10 CO 0.56 -0.46 0.66 -0.69 0.98 0.00 0.00 173.24 174.29 2jg1 s VAL 11 N -2.21 4.83 -0.14 5.02 1.01 -0.15 0.72 120.40 129.48 2jg1 s VAL 11 Ca -0.08 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 2jg1 s VAL 11 Cb -0.03 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2jg1 s VAL 11 CO -0.03 -0.86 0.67 -1.81 0.00 0.00 0.00 175.10 173.08 2jg1 s ASP 12 N 2.78 6.84 -0.18 3.32 1.01 -0.54 -1.67 116.67 128.23 2jg1 s ASP 12 Ca 0.16 1.01 -0.03 0.00 0.71 0.00 0.00 52.55 54.40 2jg1 s ASP 12 Cb -0.19 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2jg1 s ASP 12 CO 0.12 -0.21 -0.06 -0.63 0.21 0.00 0.00 175.17 174.60 2jg1 s ILE 13 N 1.42 3.45 -0.21 0.77 1.01 0.55 -0.97 121.20 127.22 2jg1 s ILE 13 Ca 0.33 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 2jg1 s ILE 13 Cb -0.17 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2jg1 s ILE 13 CO 0.13 0.46 -0.03 -0.55 0.00 0.00 0.00 174.94 174.95 2jg1 s SER 14 N 0.92 4.46 -0.46 3.58 0.15 0.07 -0.49 113.70 121.93 2jg1 s SER 14 Ca -0.01 -0.33 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 2jg1 s SER 14 Cb -0.15 -1.76 0.12 0.00 -1.71 0.00 0.00 66.02 62.53 2jg1 s SER 14 CO 0.01 0.02 0.26 -0.31 1.20 0.00 0.00 173.24 174.42 2jg1 s TYR 15 N 1.26 3.54 -0.28 3.44 4.12 0.64 -2.52 117.35 127.56 2jg1 s TYR 15 Ca 0.03 -2.47 -0.27 0.00 0.02 0.00 0.00 57.07 54.39 2jg1 s TYR 15 Cb -0.14 -3.23 0.01 0.00 -1.52 0.00 0.00 41.96 37.07 2jg1 s TYR 15 CO -0.01 -0.94 0.94 -1.25 0.02 0.00 0.00 175.55 174.31 2jg1 s PRO 16 N 0.88 4.11 0.01 -1.71 0.04 -1.26 -0.29 135.00 136.77 2jg1 s PRO 16 Ca 0.10 0.98 0.07 0.00 0.04 0.00 0.00 61.00 62.19 2jg1 s PRO 16 Cb -0.22 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.60 2jg1 s PRO 16 CO -0.04 -0.70 -0.22 -0.51 0.04 0.00 0.00 177.00 175.57 2jg1 s LEU 17 N 3.20 2.09 0.14 -3.56 1.43 0.70 -4.93 118.68 117.75 2jg1 s LEU 17 Ca 0.39 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 2jg1 s LEU 17 Cb -0.14 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.01 2jg1 s LEU 17 CO 0.11 0.23 1.65 0.74 0.23 0.00 0.00 176.35 179.31 2jg1 h THR 18 N 4.49 1.23 -3.04 5.49 2.02 -1.96 -3.37 112.91 117.77 2jg1 h THR 18 Ca -0.41 -0.77 -0.15 0.00 0.77 0.00 0.00 66.41 65.84 2jg1 h THR 18 Cb 1.14 0.89 -0.25 0.00 -1.74 0.00 0.00 68.15 68.19 2jg1 h THR 18 CO 0.46 0.27 -0.38 0.00 0.37 0.00 0.00 175.52 176.24 2jg1 s ALA 19 N -5.35 -0.71 -0.53 6.16 0.00 -1.26 -4.28 121.76 115.79 2jg1 s ALA 19 Ca -0.13 0.81 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 2jg1 s ALA 19 Cb 0.11 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.80 2jg1 s ALA 19 CO 0.78 -0.14 0.78 -1.17 0.00 0.00 0.00 175.76 176.01 2jg1 s LEU 20 N 0.16 4.54 -0.48 0.00 2.96 -1.26 -5.02 118.68 119.57 2jg1 s LEU 20 Ca -0.00 -0.64 -0.22 0.00 -0.22 0.00 0.00 54.13 53.05 2jg1 s LEU 20 Cb -0.02 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 44.07 2jg1 s LEU 20 CO 0.00 -1.06 0.77 -0.54 -1.32 0.00 0.00 176.35 174.20 2jg1 s LYS 21 N 3.29 3.32 0.48 1.98 1.02 -1.26 -5.03 119.74 123.54 2jg1 s LYS 21 Ca 0.23 -0.32 -0.21 0.00 0.02 0.00 0.00 55.97 55.69 2jg1 s LYS 21 Cb -0.16 -3.99 -0.08 0.00 -0.52 0.00 0.00 37.83 33.08 2jg1 s LYS 21 CO 0.15 -1.20 1.06 -0.51 -0.92 0.00 0.00 175.35 173.93 2jg1 s LEU 22 N 3.25 3.87 -1.33 3.17 1.43 -1.26 -3.13 118.68 124.68 2jg1 s LEU 22 Ca 0.26 2.00 -0.04 0.00 -1.03 0.00 0.00 54.13 55.32 2jg1 s LEU 22 Cb -0.14 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.60 2jg1 s LEU 22 CO 0.19 -0.82 0.32 -0.67 0.23 0.00 0.00 176.35 175.60 2jg1 n ASP 23 N -0.89 -4.59 -3.84 2.29 2.03 -1.26 -4.95 116.55 105.33 2jg1 n ASP 23 Ca 0.09 -0.15 -0.12 0.00 0.52 0.00 0.00 54.79 55.14 2jg1 n ASP 23 Cb 0.52 -3.80 -0.06 0.00 -0.72 0.00 0.00 41.12 37.05 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 -2.44 0.27 -0.03 1.67 -1.08 -1.18 -5.15 116.67 108.73 2jg1 s ASP 24 Ca 0.21 -1.22 -0.22 0.00 -0.52 0.00 0.00 52.55 50.81 2jg1 s ASP 24 Cb -0.11 0.55 -0.05 0.00 -1.46 0.00 0.00 42.92 41.86 2jg1 s ASP 24 CO 0.26 -1.10 0.64 -0.69 0.52 0.00 0.00 175.17 174.80 2jg1 s VAL 25 N -3.79 4.96 -0.23 1.11 1.01 -1.26 -4.91 120.40 117.29 2jg1 s VAL 25 Ca 0.29 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.62 2jg1 s VAL 25 Cb 0.01 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.45 2jg1 s VAL 25 CO 0.13 0.34 -0.12 0.20 0.00 0.00 0.00 175.10 175.65 2jg1 s ASN 26 N 0.26 4.00 -0.11 3.32 0.01 -1.26 -4.91 114.94 116.25 2jg1 s ASN 26 Ca 0.34 -1.00 -0.14 0.00 -0.71 0.00 0.00 52.86 51.34 2jg1 s ASN 26 Cb -0.18 -1.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.87 2jg1 s ASN 26 CO 0.18 -0.11 0.35 -0.13 -1.51 0.00 0.00 177.10 175.87 2jg1 s ARG 27 N 1.23 4.13 0.03 -0.60 0.52 -1.26 -5.08 118.95 117.92 2jg1 s ARG 27 Ca -0.02 0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.48 2jg1 s ARG 27 Cb -0.17 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 2jg1 s ARG 27 CO -0.07 0.37 -0.18 0.54 0.02 0.00 0.00 175.30 175.99 2jg1 s VAL 28 N 0.01 1.40 -0.12 3.52 0.11 -1.26 -5.04 120.40 119.01 2jg1 s VAL 28 Ca 0.20 -1.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 2jg1 s VAL 28 Cb -0.14 -1.22 -0.09 0.00 -1.53 0.00 0.00 36.38 33.40 2jg1 s VAL 28 CO 0.07 0.15 -0.08 0.00 -3.33 0.00 0.00 175.10 171.92 2jg1 n GLN 29 N 1.99 0.70 -2.98 1.54 3.00 -1.26 -4.87 117.38 115.50 2jg1 n GLN 29 Ca -0.17 0.06 -0.38 0.00 -0.01 0.00 0.00 57.00 56.50 2jg1 n GLN 29 Cb 0.54 -1.24 -0.01 0.00 0.00 0.00 0.00 30.24 29.52 2jg1 n GLN 29 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jg1 n GLU 30 N -2.77 4.23 -2.58 -1.09 -0.58 -1.26 -5.03 120.64 111.57 2jg1 n GLU 30 Ca -0.21 -4.65 -0.40 0.00 -0.42 0.00 0.00 57.16 51.48 2jg1 n GLU 30 Cb 0.75 -2.42 -0.05 0.00 -0.57 0.00 0.00 31.44 29.15 2jg1 n GLU 30 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jg1 s VAL 31 N -3.35 3.73 -0.17 2.62 1.01 -1.26 -4.59 120.40 118.39 2jg1 s VAL 31 Ca 0.37 1.72 -0.03 0.00 0.00 0.00 0.00 61.98 64.04 2jg1 s VAL 31 Cb 0.13 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2jg1 s VAL 31 CO -0.01 0.40 -0.06 -0.55 0.00 0.00 0.00 175.10 174.88 2jg1 s SER 32 N -0.91 4.41 -0.13 3.32 0.15 -1.05 -5.00 113.70 114.50 2jg1 s SER 32 Ca 0.44 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.83 2jg1 s SER 32 Cb -0.30 -1.72 0.01 0.00 -1.71 0.00 0.00 66.02 62.31 2jg1 s SER 32 CO 0.37 0.10 -0.18 -0.54 1.20 0.00 0.00 173.24 174.19 2jg1 s LYS 33 N 0.74 2.62 0.14 5.44 1.02 -1.26 -0.75 119.74 127.69 2jg1 s LYS 33 Ca -0.03 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.30 2jg1 s LYS 33 Cb -0.15 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 2jg1 s LYS 33 CO 0.02 -0.08 -0.09 0.95 -0.92 0.00 0.00 175.35 175.24 2jg1 s THR 34 N 1.00 1.03 -0.50 2.17 -4.23 -0.14 -4.96 115.64 110.00 2jg1 s THR 34 Ca -0.04 -2.03 -0.29 0.00 -1.18 0.00 0.00 61.69 58.15 2jg1 s THR 34 Cb -0.15 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 71.90 2jg1 s THR 34 CO -0.04 -0.77 1.14 0.00 -0.54 0.00 0.00 174.62 174.42 2jg1 s ALA 35 N -3.42 3.12 0.17 3.99 0.00 -1.26 -1.47 121.76 122.89 2jg1 s ALA 35 Ca 0.16 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2jg1 s ALA 35 Cb 0.03 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 2jg1 s ALA 35 CO -0.01 -2.35 0.23 0.20 0.00 0.00 0.00 175.76 173.83 2jg1 s GLY 36 N 2.58 1.65 0.00 0.00 0.00 0.22 -4.88 107.32 106.89 2jg1 s GLY 36 Ca 0.46 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2jg1 s GLY 36 CO 0.30 -1.15 0.00 0.61 0.00 0.00 0.00 173.10 172.86 2jg1 n GLY 37 N -0.58 4.61 0.23 0.20 0.00 -1.26 -1.36 105.19 107.02 2jg1 n GLY 37 Ca -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 0.24 0.00 1.61 1.57 -1.92 -1.10 116.57 116.97 2jg1 h LYS 38 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2jg1 h LYS 38 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2jg1 h LYS 38 CO 0.00 0.16 -0.18 0.78 -0.57 0.00 0.00 179.45 179.64 2jg1 h GLY 39 N 0.25 0.00 1.60 3.86 0.00 -1.78 -2.10 103.07 104.89 2jg1 h GLY 39 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.44 2jg1 h GLY 39 CO -0.41 0.00 -0.84 1.41 0.00 0.00 0.00 176.54 176.70 2jg1 h LEU 40 N 0.00 0.47 -0.22 3.11 3.38 -1.57 -0.86 115.31 119.62 2jg1 h LEU 40 Ca -0.00 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2jg1 h LEU 40 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jg1 h LEU 40 CO 0.02 1.12 0.13 0.78 0.09 0.00 0.00 178.44 180.58 2jg1 h ASN 41 N 0.23 0.21 -0.23 -0.43 2.35 -0.84 -0.75 115.58 116.12 2jg1 h ASN 41 Ca -0.05 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2jg1 h ASN 41 Cb 1.45 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.74 2jg1 h ASN 41 CO 0.14 0.15 -0.03 0.58 -1.65 0.00 0.00 177.43 176.63 2jg1 h VAL 42 N 0.26 0.80 -0.28 2.81 2.07 -1.33 -2.15 116.25 118.44 2jg1 h VAL 42 Ca 0.09 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.65 2jg1 h VAL 42 Cb -0.00 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2jg1 h VAL 42 CO -0.04 0.01 -0.12 0.74 0.02 0.00 0.00 177.57 178.18 2jg1 h THR 43 N 0.04 0.62 -0.73 2.57 2.02 -0.98 -1.26 112.91 115.18 2jg1 h THR 43 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 2jg1 h THR 43 Cb 0.15 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2jg1 h THR 43 CO -0.21 0.00 0.28 0.03 0.37 0.00 0.00 175.52 175.99 2jg1 h ARG 44 N -0.07 1.08 -0.34 6.66 3.08 -0.86 -1.23 114.38 122.70 2jg1 h ARG 44 Ca 0.15 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2jg1 h ARG 44 Cb 0.29 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2jg1 h ARG 44 CO -0.33 0.88 -0.15 0.28 -1.07 0.00 0.00 179.97 179.58 2jg1 h VAL 45 N 1.05 1.29 -0.71 2.04 2.07 -1.19 -1.93 116.25 118.87 2jg1 h VAL 45 Ca 0.24 -1.26 0.07 0.00 0.82 0.00 0.00 66.70 66.57 2jg1 h VAL 45 Cb 0.21 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2jg1 h VAL 45 CO -0.02 0.41 0.39 -0.07 0.02 0.00 0.00 177.57 178.30 2jg1 h LEU 46 N 0.48 0.57 -0.75 2.57 3.38 -0.99 -0.37 115.31 120.20 2jg1 h LEU 46 Ca 0.08 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2jg1 h LEU 46 Cb 0.68 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2jg1 h LEU 46 CO 0.05 0.35 0.31 0.00 0.09 0.00 0.00 178.44 179.24 2jg1 h ALA 47 N 1.38 0.97 -0.58 1.53 0.00 -1.06 -1.03 119.26 120.47 2jg1 h ALA 47 Ca 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jg1 h ALA 47 Cb 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2jg1 h ALA 47 CO -0.21 0.58 0.31 1.96 0.00 0.00 0.00 179.25 181.90 2jg1 h GLN 48 N 1.07 0.81 0.00 0.00 4.20 -0.91 -2.47 115.11 117.82 2jg1 h GLN 48 Ca 0.25 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2jg1 h GLN 48 Cb 0.20 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2jg1 h GLN 48 CO -0.02 0.63 -0.11 0.28 -0.67 0.00 0.00 178.83 178.94 2jg1 h VAL 49 N 0.78 0.89 0.00 -0.54 2.07 -0.73 -3.47 116.25 115.25 2jg1 h VAL 49 Ca 0.20 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2jg1 h VAL 49 Cb 0.05 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2jg1 h VAL 49 CO -0.03 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.27 2jg1 n GLY 50 N -1.10 0.88 3.79 2.17 0.00 -0.47 -5.09 105.19 105.37 2jg1 n GLY 50 Ca -0.03 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.44 4.50 0.11 1.61 0.41 -0.71 -5.02 118.70 119.16 2jg1 s GLU 51 Ca 0.00 1.14 -0.31 0.00 -0.41 0.00 0.00 54.97 55.39 2jg1 s GLU 51 Cb 0.00 -3.02 -0.09 0.00 -1.78 0.00 0.00 34.13 29.25 2jg1 s GLU 51 CO 0.00 0.43 1.53 -1.25 -0.49 0.00 0.00 175.26 175.49 2jg1 s PRO 52 N -1.66 4.24 -0.04 0.39 0.04 -1.26 -4.51 135.00 132.20 2jg1 s PRO 52 Ca 0.42 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.60 2jg1 s PRO 52 Cb -0.20 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.00 2jg1 s PRO 52 CO 0.24 -0.60 0.25 0.54 0.04 0.00 0.00 177.00 177.47 2jg1 s VAL 53 N 1.71 0.04 -0.05 -0.36 0.11 -1.26 -1.16 120.40 119.44 2jg1 s VAL 53 Ca 0.69 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.41 2jg1 s VAL 53 Cb -0.40 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2jg1 s VAL 53 CO 0.31 -0.19 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.57 2jg1 s LEU 54 N -0.79 1.59 -0.12 2.54 2.96 -0.00 -4.31 118.68 120.55 2jg1 s LEU 54 Ca -0.09 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 2jg1 s LEU 54 Cb -0.05 -0.63 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 2jg1 s LEU 54 CO 0.02 0.02 0.35 0.00 -1.32 0.00 0.00 176.35 175.42 2jg1 s ALA 55 N 0.60 3.60 0.27 5.97 0.00 -0.29 -1.28 121.76 130.63 2jg1 s ALA 55 Ca -0.10 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.55 2jg1 s ALA 55 Cb -0.13 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 2jg1 s ALA 55 CO 0.02 0.18 0.18 0.45 0.00 0.00 0.00 175.76 176.58 2jg1 n SER 56 N 3.16 0.04 0.00 0.00 2.88 -0.36 -0.46 113.62 118.88 2jg1 n SER 56 Ca -0.12 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 2jg1 n SER 56 Cb 0.52 1.11 0.00 0.00 -0.75 0.00 0.00 64.21 65.09 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 -0.35 0.74 3.51 0.46 0.00 -1.26 -1.36 105.19 106.93 2jg1 n GLY 57 Ca 0.02 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.34 2.93 0.06 1.61 0.40 -1.21 -0.78 117.98 117.66 2jg1 s PHE 58 Ca 0.00 -0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 2jg1 s PHE 58 Cb 0.00 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 2jg1 s PHE 58 CO 0.00 0.12 -0.13 0.96 0.70 0.00 0.00 175.22 176.86 2jg1 s ILE 59 N -0.24 1.04 -0.06 0.64 -4.36 -0.79 -4.52 121.20 112.90 2jg1 s ILE 59 Ca 0.03 -1.21 -0.05 0.00 -0.26 0.00 0.00 60.65 59.16 2jg1 s ILE 59 Cb -0.13 -1.00 0.02 0.00 1.25 0.00 0.00 42.46 42.61 2jg1 s ILE 59 CO 0.03 -0.20 0.15 -0.83 0.24 0.00 0.00 174.94 174.33 2jg1 s GLY 60 N -1.60 -0.09 0.00 6.27 0.00 -1.26 -1.13 107.32 109.51 2jg1 s GLY 60 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2jg1 s GLY 60 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.28 2jg1 n GLY 61 N 3.34 -0.57 0.25 0.20 0.00 -1.23 -1.05 105.19 106.14 2jg1 n GLY 61 Ca -0.16 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 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 0.49 -0.34 1.61 3.07 -1.96 -1.98 114.58 115.47 2jg1 h GLU 62 Ca 0.00 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 2jg1 h GLU 62 Cb 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2jg1 h GLU 62 CO 0.00 0.64 -0.19 -0.07 -1.40 0.00 0.00 179.01 177.99 2jg1 h LEU 63 N 0.45 0.64 -0.75 1.33 3.38 -1.86 -0.37 115.31 118.12 2jg1 h LEU 63 Ca 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jg1 h LEU 63 Cb 0.54 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2jg1 h LEU 63 CO 0.03 0.83 0.47 1.23 0.09 0.00 0.00 178.44 181.09 2jg1 h GLY 64 N 0.98 1.09 1.36 0.83 0.00 -0.93 -2.44 103.07 103.96 2jg1 h GLY 64 Ca 0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2jg1 h GLY 64 CO 0.05 0.43 0.24 1.46 0.00 0.00 0.00 176.54 178.71 2jg1 h GLN 65 N 1.03 0.83 -0.15 4.80 4.20 -0.94 -2.18 115.11 122.69 2jg1 h GLN 65 Ca 0.27 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.87 2jg1 h GLN 65 Cb -0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2jg1 h GLN 65 CO -0.05 0.68 0.05 0.35 -0.67 0.00 0.00 178.83 179.18 2jg1 h PHE 66 N 0.82 0.09 -0.20 2.96 3.57 -0.75 -1.60 116.94 121.84 2jg1 h PHE 66 Ca 0.20 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2jg1 h PHE 66 Cb 0.15 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2jg1 h PHE 66 CO 0.01 0.05 -0.09 0.82 -2.23 0.00 0.00 178.31 176.87 2jg1 h ILE 67 N 0.13 0.71 -0.75 1.41 2.04 -1.19 -1.19 117.51 118.67 2jg1 h ILE 67 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.04 2jg1 h ILE 67 Cb 0.04 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 2jg1 h ILE 67 CO -0.07 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.45 2jg1 h ALA 68 N 1.12 1.07 -0.34 1.87 0.00 -1.23 -1.71 119.26 120.03 2jg1 h ALA 68 Ca 0.11 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2jg1 h ALA 68 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jg1 h ALA 68 CO -0.24 -0.08 -0.27 0.87 0.00 0.00 0.00 179.25 179.53 2jg1 h LYS 69 N 0.58 0.69 -0.71 0.00 6.56 -0.87 0.99 116.57 123.82 2jg1 h LYS 69 Ca 0.39 -0.29 -0.05 0.00 -1.06 0.00 0.00 60.65 59.64 2jg1 h LYS 69 Cb 0.48 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.09 2jg1 h LYS 69 CO -0.32 0.89 0.24 0.87 -2.06 0.00 0.00 179.45 179.07 2jg1 h LYS 70 N 0.60 1.09 -0.38 3.15 1.79 -0.69 -0.91 116.57 121.22 2jg1 h LYS 70 Ca 0.08 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.26 2jg1 h LYS 70 Cb 0.76 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 2jg1 h LYS 70 CO 0.06 0.92 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.27 2jg1 h LEU 71 N 1.03 0.66 -0.74 2.94 3.38 -0.93 -2.87 115.31 118.79 2jg1 h LEU 71 Ca 0.23 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.99 2jg1 h LEU 71 Cb 0.27 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 2jg1 h LEU 71 CO -0.01 0.82 0.37 0.44 0.09 0.00 0.00 178.44 180.15 2jg1 h ASP 72 N 0.49 0.47 -0.09 -0.43 3.32 -0.59 -1.11 116.42 118.48 2jg1 h ASP 72 Ca 0.10 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2jg1 h ASP 72 Cb 0.49 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2jg1 h ASP 72 CO 0.02 0.25 0.02 -0.74 -1.72 0.00 0.00 179.24 177.07 2jg1 h HIS 73 N 0.61 0.22 -0.01 4.55 2.76 -1.04 -1.88 115.15 120.35 2jg1 h HIS 73 Ca 0.37 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2jg1 h HIS 73 Cb 0.43 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2jg1 h HIS 73 CO -0.11 0.22 -0.07 0.00 -1.30 0.00 0.00 177.93 176.68 2jg1 n ALA 74 N -2.50 2.70 -3.05 5.26 0.00 -0.75 -4.94 120.51 117.23 2jg1 n ALA 74 Ca -0.01 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.79 2jg1 n ALA 74 Cb 0.15 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.06 -5.94 -4.68 0.00 8.00 -0.71 -5.00 116.55 108.16 2jg1 n ASP 75 Ca 0.17 -0.30 -0.36 0.00 0.71 0.00 0.00 54.79 55.00 2jg1 n ASP 75 Cb 0.35 -4.73 -0.09 0.00 -0.02 0.00 0.00 41.12 36.63 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 -3.17 5.34 0.32 0.53 1.01 -0.50 -5.02 121.20 119.71 2jg1 s ILE 76 Ca 0.32 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 2jg1 s ILE 76 Cb -0.14 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.69 2jg1 s ILE 76 CO 0.40 0.35 1.22 -0.54 0.00 0.00 0.00 174.94 176.37 2jg1 s LYS 77 N 0.93 4.44 0.02 2.79 1.02 -1.26 -4.26 119.74 123.42 2jg1 s LYS 77 Ca 0.10 2.04 -0.07 0.00 0.02 0.00 0.00 55.97 58.06 2jg1 s LYS 77 Cb -0.13 -3.09 -0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2jg1 s LYS 77 CO 0.04 -0.05 0.13 -3.38 -0.92 0.00 0.00 175.35 171.16 2jg1 s HIS 78 N -1.17 0.10 -0.41 3.18 -3.43 -1.26 -1.14 115.29 111.17 2jg1 s HIS 78 Ca 0.48 -0.28 0.08 0.00 -0.80 0.00 0.00 55.06 54.54 2jg1 s HIS 78 Cb -0.36 -0.08 0.27 0.00 -1.43 0.00 0.00 32.58 30.97 2jg1 s HIS 78 CO 0.48 -0.32 0.64 0.00 -2.00 0.00 0.00 174.74 173.53 2jg1 n ALA 79 N 1.15 1.63 -1.55 -1.38 0.00 0.39 -4.90 120.51 115.85 2jg1 n ALA 79 Ca -0.21 -3.01 -0.33 0.00 0.00 0.00 0.00 53.44 49.89 2jg1 n ALA 79 Cb 0.57 -0.93 0.04 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.03 2.74 -0.15 0.00 0.40 -1.26 -4.53 117.98 114.15 2jg1 s PHE 80 Ca 0.35 1.53 -0.16 0.00 -0.60 0.00 0.00 56.93 58.05 2jg1 s PHE 80 Cb 0.21 -3.11 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 2jg1 s PHE 80 CO -0.12 -1.51 0.39 -0.47 0.70 0.00 0.00 175.22 174.21 2jg1 s TYR 81 N -2.41 3.47 -0.04 0.36 5.04 0.04 -4.93 117.35 118.88 2jg1 s TYR 81 Ca 0.65 0.72 -0.25 0.00 -2.44 0.00 0.00 57.07 55.76 2jg1 s TYR 81 Cb -0.19 -2.46 -0.04 0.00 0.35 0.00 0.00 41.96 39.62 2jg1 s TYR 81 CO 0.41 0.17 0.75 -0.80 -1.34 0.00 0.00 175.55 174.74 2jg1 s ASN 82 N 0.63 7.08 0.33 4.32 -0.87 -1.26 -1.89 114.94 123.28 2jg1 s ASN 82 Ca 0.21 1.29 0.09 0.00 -1.57 0.00 0.00 52.86 52.88 2jg1 s ASN 82 Cb -0.14 -2.44 -0.05 0.00 -0.02 0.00 0.00 41.25 38.60 2jg1 s ASN 82 CO 0.07 -0.12 0.04 0.27 -2.57 0.00 0.00 177.10 174.79 2jg1 s ILE 83 N 0.70 2.79 -0.20 0.60 -4.36 -0.28 -4.96 121.20 115.49 2jg1 s ILE 83 Ca 0.40 -1.91 0.18 0.00 -0.26 0.00 0.00 60.65 59.06 2jg1 s ILE 83 Cb -0.19 -2.84 0.16 0.00 1.25 0.00 0.00 42.46 40.85 2jg1 s ILE 83 CO 0.20 -0.21 1.54 0.11 0.24 0.00 0.00 174.94 176.82 2jg1 h LYS 84 N 1.76 0.00 -7.70 0.37 1.57 -1.93 -3.40 116.57 107.24 2jg1 h LYS 84 Ca -0.43 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.91 2jg1 h LYS 84 Cb 1.25 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.73 2jg1 h LYS 84 CO 0.65 0.33 0.34 0.20 -0.57 0.00 0.00 179.45 180.40 2jg1 s GLY 85 N -4.37 1.73 -0.12 3.86 0.00 -1.26 -4.84 107.32 102.32 2jg1 s GLY 85 Ca 0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 2jg1 s GLY 85 CO 0.71 -0.33 -0.06 -0.54 0.00 0.00 0.00 173.10 172.88 2jg1 s GLU 86 N -5.76 3.27 0.38 2.90 2.02 -1.26 -3.56 118.70 116.68 2jg1 s GLU 86 Ca 0.73 -0.55 -0.26 0.00 0.02 0.00 0.00 54.97 54.91 2jg1 s GLU 86 Cb -0.05 -2.75 -0.11 0.00 0.10 0.00 0.00 34.13 31.31 2jg1 s GLU 86 CO 0.54 0.41 1.16 2.41 0.02 0.00 0.00 175.26 179.80 2jg1 n THR 87 N 2.99 2.27 -2.01 3.63 -1.04 -0.21 -3.89 114.28 116.01 2jg1 n THR 87 Ca -0.18 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.03 2jg1 n THR 87 Cb 0.53 -1.35 0.01 0.00 -1.82 0.00 0.00 70.33 67.70 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 -1.95 3.49 0.21 -2.82 1.70 -1.26 -4.76 118.95 113.56 2jg1 s ARG 88 Ca 0.60 0.61 0.03 0.00 -0.47 0.00 0.00 55.73 56.49 2jg1 s ARG 88 Cb -0.57 -2.13 -0.03 0.00 -0.57 0.00 0.00 34.95 31.65 2jg1 s ARG 88 CO 0.59 -0.57 0.35 -0.80 -1.08 0.00 0.00 175.30 173.79 2jg1 s ASN 89 N -4.19 6.33 0.03 -2.89 -0.87 -1.26 -0.98 114.94 111.12 2jg1 s ASN 89 Ca 0.54 0.17 0.04 0.00 -1.57 0.00 0.00 52.86 52.04 2jg1 s ASN 89 Cb -0.11 -1.91 -0.02 0.00 -0.02 0.00 0.00 41.25 39.20 2jg1 s ASN 89 CO 0.52 -0.04 -0.11 0.00 -2.57 0.00 0.00 177.10 174.90 2jg1 s ILE 91 N -0.85 2.85 -0.14 0.00 -1.09 -0.22 -0.33 121.20 121.44 2jg1 s ILE 91 Ca -0.01 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2jg1 s ILE 91 Cb -0.07 -2.16 0.02 0.00 -1.58 0.00 0.00 42.46 38.66 2jg1 s ILE 91 CO 0.01 0.55 -0.18 0.00 -1.23 0.00 0.00 174.94 174.09 2jg1 s ALA 92 N 0.07 1.98 -0.29 9.38 0.00 0.36 -1.28 121.76 131.99 2jg1 s ALA 92 Ca -0.06 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2jg1 s ALA 92 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2jg1 s ALA 92 CO 0.05 -0.15 0.14 0.42 0.00 0.00 0.00 175.76 176.21 2jg1 s ILE 93 N 1.06 4.64 -0.43 0.00 1.01 1.00 -0.26 121.20 128.22 2jg1 s ILE 93 Ca -0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2jg1 s ILE 93 Cb -0.14 -3.29 0.06 0.00 0.01 0.00 0.00 42.46 39.10 2jg1 s ILE 93 CO -0.05 0.16 0.30 -0.76 0.00 0.00 0.00 174.94 174.59 2jg1 s LEU 94 N 1.64 5.23 -0.16 2.97 1.43 0.60 -1.00 118.68 129.39 2jg1 s LEU 94 Ca 0.05 -1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 51.76 2jg1 s LEU 94 Cb -0.16 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.05 2jg1 s LEU 94 CO 0.06 -0.54 0.37 -1.38 0.23 0.00 0.00 176.35 175.09 2jg1 s HIS 95 N 1.54 -0.58 -1.44 0.29 -3.43 -0.60 -0.21 115.29 110.85 2jg1 s HIS 95 Ca 0.03 1.23 -0.10 0.00 -0.80 0.00 0.00 55.06 55.41 2jg1 s HIS 95 Cb -0.22 0.21 0.04 0.00 -1.43 0.00 0.00 32.58 31.18 2jg1 s HIS 95 CO 0.05 -0.35 1.04 0.39 -2.00 0.00 0.00 174.74 173.87 2jg1 n GLU 96 N 4.57 -6.67 -0.97 -0.38 1.02 -1.26 -0.31 120.64 116.65 2jg1 n GLU 96 Ca -0.19 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2jg1 n GLU 96 Cb 0.53 -5.71 0.00 0.00 -0.02 0.00 0.00 31.44 26.24 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 -1.83 0.59 3.68 0.62 0.00 -1.26 -5.02 105.19 101.98 2jg1 n GLY 97 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.25 2.45 -0.31 1.61 -0.21 0.58 -5.11 119.66 118.42 2jg1 s GLN 98 Ca 0.00 -1.21 0.02 0.00 0.02 0.00 0.00 55.36 54.19 2jg1 s GLN 98 Cb 0.00 -2.32 0.09 0.00 1.00 0.00 0.00 33.01 31.78 2jg1 s GLN 98 CO 0.00 0.41 0.05 -1.14 -2.12 0.00 0.00 175.29 172.49 2jg1 s GLN 99 N -3.35 1.24 -0.25 2.91 0.74 -1.26 -1.56 119.66 118.14 2jg1 s GLN 99 Ca 0.30 -1.42 -0.10 0.00 0.05 0.00 0.00 55.36 54.19 2jg1 s GLN 99 Cb -0.08 -2.65 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 2jg1 s GLN 99 CO 0.20 -0.89 0.15 0.99 -0.55 0.00 0.00 175.29 175.19 2jg1 s THR 100 N 1.25 5.08 0.05 -0.34 2.01 -0.17 -4.91 115.64 118.61 2jg1 s THR 100 Ca 0.07 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.25 2jg1 s THR 100 Cb -0.18 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2jg1 s THR 100 CO -0.14 0.31 -0.26 -1.61 -0.69 0.00 0.00 174.62 172.23 2jg1 s GLU 101 N 1.41 1.75 -0.20 4.92 2.02 -1.26 -0.00 118.70 127.34 2jg1 s GLU 101 Ca 0.07 -1.13 0.01 0.00 0.02 0.00 0.00 54.97 53.94 2jg1 s GLU 101 Cb -0.15 -1.95 0.04 0.00 0.10 0.00 0.00 34.13 32.17 2jg1 s GLU 101 CO 0.07 0.50 -0.12 0.42 0.02 0.00 0.00 175.26 176.15 2jg1 s ILE 102 N -0.83 1.76 -0.22 -1.63 1.01 -0.40 -5.00 121.20 115.89 2jg1 s ILE 102 Ca 0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 2jg1 s ILE 102 Cb -0.10 -1.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2jg1 s ILE 102 CO 0.02 0.21 -0.05 -0.76 0.00 0.00 0.00 174.94 174.37 2jg1 s LEU 103 N 1.35 2.87 0.22 2.97 1.43 -1.26 -1.05 118.68 125.21 2jg1 s LEU 103 Ca -0.01 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 2jg1 s LEU 103 Cb -0.16 -1.72 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 2jg1 s LEU 103 CO -0.09 -0.03 0.89 -1.61 0.23 0.00 0.00 176.35 175.74 2jg1 s GLU 104 N 1.46 4.75 0.27 1.70 2.02 -1.24 -4.97 118.70 122.68 2jg1 s GLU 104 Ca 0.05 1.37 -0.02 0.00 0.02 0.00 0.00 54.97 56.39 2jg1 s GLU 104 Cb -0.14 -3.25 0.42 0.00 0.10 0.00 0.00 34.13 31.26 2jg1 s GLU 104 CO -0.04 0.53 1.88 0.37 0.02 0.00 0.00 175.26 178.01 2jg1 h GLN 105 N 4.15 1.12 0.00 1.61 4.15 -1.99 -3.48 115.11 120.67 2jg1 h GLN 105 Ca -0.46 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.90 2jg1 h GLN 105 Cb 1.20 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.64 2jg1 h GLN 105 CO 0.67 0.74 0.00 0.41 -1.93 0.00 0.00 178.83 178.72 2jg1 n GLY 106 N -1.36 -2.13 3.81 2.39 0.00 -1.26 -4.70 105.19 101.94 2jg1 n GLY 106 Ca 0.16 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.17 3.08 -0.11 1.61 0.04 -1.25 -4.88 135.00 133.31 2jg1 s PRO 107 Ca 0.00 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 2jg1 s PRO 107 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2jg1 s PRO 107 CO 0.00 -1.00 0.34 -2.00 0.04 0.00 0.00 177.00 174.39 2jg1 s GLU 108 N -4.58 4.12 -0.17 4.56 2.12 -1.26 -3.74 118.70 119.75 2jg1 s GLU 108 Ca 0.61 0.22 -0.20 0.00 0.36 0.00 0.00 54.97 55.96 2jg1 s GLU 108 Cb -0.15 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 2jg1 s GLU 108 CO 0.47 0.38 0.57 0.42 -0.54 0.00 0.00 175.26 176.55 2jg1 s ILE 109 N 0.00 5.08 0.81 -3.70 -1.09 -0.33 -4.71 121.20 117.26 2jg1 s ILE 109 Ca 0.20 1.08 -0.09 0.00 -2.23 0.00 0.00 60.65 59.61 2jg1 s ILE 109 Cb -0.14 -3.89 0.12 0.00 -1.58 0.00 0.00 42.46 36.97 2jg1 s ILE 109 CO 0.07 0.19 1.14 1.51 -1.23 0.00 0.00 174.94 176.62 2jg1 s ASP 110 N 1.04 4.12 0.21 3.58 3.84 -1.26 -4.40 116.67 123.80 2jg1 s ASP 110 Ca 0.27 0.29 -0.08 0.00 -0.00 0.00 0.00 52.55 53.03 2jg1 s ASP 110 Cb -0.16 -0.66 0.15 0.00 -1.38 0.00 0.00 42.92 40.87 2jg1 s ASP 110 CO 0.11 -2.07 1.73 0.78 -0.00 0.00 0.00 175.17 175.72 2jg1 h ASN 111 N -1.00 1.06 -0.70 2.11 -0.26 -1.98 -1.14 115.58 113.67 2jg1 h ASN 111 Ca -0.43 -0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.04 2jg1 h ASN 111 Cb 1.28 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 38.23 2jg1 h ASN 111 CO 0.50 1.01 0.25 1.56 -1.06 0.00 0.00 177.43 179.69 2jg1 h GLN 112 N 1.07 1.07 -0.40 0.81 4.20 -1.99 -1.50 115.11 118.37 2jg1 h GLN 112 Ca 0.22 -0.21 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 2jg1 h GLN 112 Cb 0.36 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2jg1 h GLN 112 CO 0.00 0.90 -0.36 0.93 -0.67 0.00 0.00 178.83 179.63 2jg1 h GLU 113 N 1.02 0.95 -0.23 1.46 5.08 -1.89 0.68 114.58 121.65 2jg1 h GLU 113 Ca 0.23 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2jg1 h GLU 113 Cb 0.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2jg1 h GLU 113 CO -0.01 1.14 0.14 0.00 -1.00 0.00 0.00 179.01 179.28 2jg1 h ALA 114 N 0.78 0.29 -0.44 3.43 0.00 -1.08 -0.67 119.26 121.57 2jg1 h ALA 114 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2jg1 h ALA 114 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2jg1 h ALA 114 CO 0.09 -0.22 0.13 0.00 0.00 0.00 0.00 179.25 179.24 2jg1 h ALA 115 N 1.06 0.58 -0.94 0.00 0.00 -1.23 -3.01 119.26 115.71 2jg1 h ALA 115 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jg1 h ALA 115 Cb -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2jg1 h ALA 115 CO -0.02 0.24 0.59 0.78 0.00 0.00 0.00 179.25 180.84 2jg1 h GLY 116 N 0.57 1.34 1.02 0.00 0.00 -0.63 -2.47 103.07 102.90 2jg1 h GLY 116 Ca 0.14 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2jg1 h GLY 116 CO -0.00 0.52 0.21 -2.75 0.00 0.00 0.00 176.54 174.52 2jg1 h PHE 117 N 1.28 1.01 -0.88 5.60 3.57 -1.06 -0.79 116.94 125.67 2jg1 h PHE 117 Ca 0.34 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2jg1 h PHE 117 Cb -0.10 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.30 2jg1 h PHE 117 CO -0.00 0.82 0.58 0.82 -2.23 0.00 0.00 178.31 178.30 2jg1 h ILE 118 N 0.91 1.20 -0.30 1.41 1.08 -1.37 0.26 117.51 120.70 2jg1 h ILE 118 Ca 0.21 -0.40 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 2jg1 h ILE 118 Cb 0.27 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 2jg1 h ILE 118 CO -0.01 0.21 -0.05 0.11 -0.69 0.00 0.00 178.15 177.72 2jg1 h LYS 119 N 1.16 0.57 -0.57 2.37 1.79 -1.08 -0.06 116.57 120.75 2jg1 h LYS 119 Ca 0.33 -0.21 0.08 0.00 -2.18 0.00 0.00 60.65 58.67 2jg1 h LYS 119 Cb -0.08 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.47 2jg1 h LYS 119 CO -0.09 0.74 0.23 1.25 -1.08 0.00 0.00 179.45 180.51 2jg1 h HIS 120 N 0.34 0.41 -0.44 -1.35 2.76 -0.80 -2.22 115.15 113.86 2jg1 h HIS 120 Ca 0.08 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 2jg1 h HIS 120 Cb 0.52 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 2jg1 h HIS 120 CO 0.05 0.14 0.16 0.35 -1.30 0.00 0.00 177.93 177.33 2jg1 h PHE 121 N 0.44 0.68 -0.49 5.26 3.57 -0.29 -2.87 116.94 123.25 2jg1 h PHE 121 Ca 0.27 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.81 2jg1 h PHE 121 Cb 0.29 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 2jg1 h PHE 121 CO -0.15 0.60 0.03 0.93 -2.23 0.00 0.00 178.31 177.49 2jg1 h GLU 122 N 0.57 0.15 -5.41 1.11 5.08 -0.74 -3.47 114.58 111.86 2jg1 h GLU 122 Ca 0.14 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 2jg1 h GLU 122 Cb 0.21 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2jg1 h GLU 122 CO -0.01 0.10 0.54 -0.65 -1.00 0.00 0.00 179.01 177.99 2jg1 s GLN 123 N -6.16 2.00 0.00 2.33 -0.21 -0.86 -5.02 119.66 111.74 2jg1 s GLN 123 Ca -0.13 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 54.76 2jg1 s GLN 123 Cb 0.16 -5.05 0.00 0.00 1.00 0.00 0.00 33.01 29.11 2jg1 s GLN 123 CO 0.72 -4.34 0.00 -0.85 -2.12 0.00 0.00 175.29 168.70 2jg1 n GLU 126 N 8.48 0.00 -0.10 2.91 0.28 -1.26 -5.05 120.64 125.90 2jg1 n GLU 126 Ca 0.43 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.52 2jg1 n GLU 126 Cb 0.46 -0.81 0.14 0.00 1.43 0.00 0.00 31.44 32.65 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 1.98 -4.18 3.44 5.02 -1.26 -4.38 118.16 116.78 2jg1 n LYS 127 Ca 0.00 -1.88 -0.13 0.00 -2.02 0.00 0.00 58.31 54.28 2jg1 n LYS 127 Cb 0.00 -1.39 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.36 0.87 0.00 -0.18 -7.23 -1.23 -4.37 120.40 106.90 2jg1 s VAL 128 Ca 0.27 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2jg1 s VAL 128 Cb 0.17 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.64 2jg1 s VAL 128 CO 0.24 -0.67 0.24 -0.62 -0.31 0.00 0.00 175.10 173.98 2jg1 n GLU 129 N 0.33 2.80 -3.65 4.82 1.02 -0.92 -4.90 120.64 120.14 2jg1 n GLU 129 Ca -0.14 -0.24 -0.15 0.00 -0.02 0.00 0.00 57.16 56.61 2jg1 n GLU 129 Cb 0.59 -0.73 -0.08 0.00 -0.02 0.00 0.00 31.44 31.20 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 -0.47 -1.47 -0.13 0.62 0.00 -1.26 -4.07 121.76 114.97 2jg1 s ALA 130 Ca 0.00 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.42 2jg1 s ALA 130 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2jg1 s ALA 130 CO 0.00 -0.30 -0.16 0.08 0.00 0.00 0.00 175.76 175.38 2jg1 s VAL 131 N -0.22 1.61 -0.24 0.00 1.01 -0.29 -1.09 120.40 121.18 2jg1 s VAL 131 Ca -0.04 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2jg1 s VAL 131 Cb -0.03 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2jg1 s VAL 131 CO 0.03 0.46 0.11 0.00 0.00 0.00 0.00 175.10 175.71 2jg1 s ALA 132 N 1.20 3.39 -0.17 5.51 0.00 -0.11 -0.62 121.76 130.96 2jg1 s ALA 132 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2jg1 s ALA 132 Cb -0.14 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.81 2jg1 s ALA 132 CO -0.06 -0.27 -0.17 0.42 0.00 0.00 0.00 175.76 175.68 2jg1 s ILE 133 N 1.22 2.43 0.03 0.00 1.01 -0.13 -0.65 121.20 125.11 2jg1 s ILE 133 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.93 2jg1 s ILE 133 Cb -0.14 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2jg1 s ILE 133 CO 0.05 0.52 -0.15 -0.44 0.00 0.00 0.00 174.94 174.92 2jg1 s SER 134 N 1.11 1.75 0.00 3.58 0.01 -1.21 -0.44 113.70 118.51 2jg1 s SER 134 Ca 0.00 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2jg1 s SER 134 Cb -0.14 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2jg1 s SER 134 CO -0.06 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2jg1 n GLY 135 N 2.05 -0.42 3.92 3.44 0.00 -0.91 -4.47 105.19 108.80 2jg1 n GLY 135 Ca -0.17 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 2jg1 n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jg1 s SER 136 N -2.66 5.28 0.28 1.61 1.04 -1.26 -4.78 113.70 113.19 2jg1 s SER 136 Ca 0.00 0.63 -0.29 0.00 0.48 0.00 0.00 55.95 56.77 2jg1 s SER 136 Cb 0.00 -1.47 -0.09 0.00 0.10 0.00 0.00 66.02 64.55 2jg1 s SER 136 CO 0.00 -1.29 1.01 -0.76 0.98 0.00 0.00 173.24 173.18 2jg1 s LEU 137 N -5.11 4.54 0.92 2.42 1.43 -1.26 -4.52 118.68 117.11 2jg1 s LEU 137 Ca 0.57 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.62 2jg1 s LEU 137 Cb -0.11 -3.70 0.14 0.00 0.03 0.00 0.00 46.19 42.55 2jg1 s LEU 137 CO 0.45 -0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.94 2jg1 s PRO 138 N -1.47 1.08 0.53 1.29 0.04 -1.26 -4.99 135.00 130.22 2jg1 s PRO 138 Ca 0.44 1.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.30 2jg1 s PRO 138 Cb -0.27 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2jg1 s PRO 138 CO 0.34 -2.42 1.27 1.17 0.04 0.00 0.00 177.00 177.40 2jg1 n LYS 139 N -4.04 1.61 0.00 4.56 4.81 -1.25 -3.63 118.16 120.23 2jg1 n LYS 139 Ca 0.08 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2jg1 n LYS 139 Cb 0.54 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 0.86 1.89 3.80 3.14 0.00 -1.26 -1.19 105.19 112.43 2jg1 n GLY 140 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 4.36 0.62 0.99 1.43 -1.24 -4.77 118.68 120.08 2jg1 s LEU 141 Ca 0.00 1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 54.56 2jg1 s LEU 141 Cb 0.00 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2jg1 s LEU 141 CO 0.00 -0.01 1.05 0.59 0.23 0.00 0.00 176.35 178.22 2jg1 n ASN 142 N 0.69 1.10 0.09 2.29 4.13 -1.26 -4.88 115.26 117.42 2jg1 n ASN 142 Ca -0.00 0.80 0.13 0.00 1.68 0.00 0.00 54.58 57.19 2jg1 n ASN 142 Cb 0.50 -1.44 0.63 0.00 -1.54 0.00 0.00 39.78 37.93 2jg1 n ASN 142 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2jg1 h GLN 143 N 0.44 0.09 -0.32 3.52 4.15 -2.00 -2.23 115.11 118.76 2jg1 h GLN 143 Ca -0.49 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2jg1 h GLN 143 Cb 1.36 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.03 2jg1 h GLN 143 CO 0.51 0.06 0.00 -0.40 -1.93 0.00 0.00 178.83 177.07 2jg1 n ASP 144 N -4.46 1.57 -0.23 -0.69 5.75 -1.26 -4.58 116.55 112.65 2jg1 n ASP 144 Ca 0.04 -2.03 -0.06 0.00 -0.01 0.00 0.00 54.79 52.74 2jg1 n ASP 144 Cb 0.34 -0.22 0.04 0.00 -1.03 0.00 0.00 41.12 40.26 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 1.59 0.85 -0.45 2.11 3.20 -1.76 0.82 116.97 123.33 2jg1 h TYR 145 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 2jg1 h TYR 145 Cb 0.42 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2jg1 h TYR 145 CO 0.20 0.56 -0.04 1.88 -1.64 0.00 0.00 178.16 179.12 2jg1 h TYR 146 N 0.88 0.82 -0.66 -3.82 0.05 -1.86 -1.46 116.97 110.93 2jg1 h TYR 146 Ca 0.23 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.90 2jg1 h TYR 146 Cb -0.05 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 2jg1 h TYR 146 CO -0.02 0.78 0.43 0.00 -1.05 0.00 0.00 178.16 178.31 2jg1 h ALA 147 N 1.25 0.83 -0.81 3.88 0.00 -1.53 0.82 119.26 123.70 2jg1 h ALA 147 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jg1 h ALA 147 Cb 0.50 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2jg1 h ALA 147 CO 0.03 0.26 0.48 1.96 0.00 0.00 0.00 179.25 181.98 2jg1 h GLN 148 N 0.89 1.10 -0.19 0.00 1.08 -0.58 -1.38 115.11 116.03 2jg1 h GLN 148 Ca 0.24 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2jg1 h GLN 148 Cb -0.10 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.09 2jg1 h GLN 148 CO -0.05 0.78 0.00 0.82 -0.95 0.00 0.00 178.83 179.44 2jg1 h ILE 149 N 1.11 1.25 -0.59 2.54 2.04 -0.84 -2.82 117.51 120.20 2jg1 h ILE 149 Ca 0.29 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2jg1 h ILE 149 Cb -0.03 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2jg1 h ILE 149 CO -0.05 0.26 0.29 0.40 0.00 0.00 0.00 178.15 179.05 2jg1 h ILE 150 N 0.10 1.19 -0.57 -0.67 2.04 -0.73 -1.93 117.51 116.94 2jg1 h ILE 150 Ca 0.06 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2jg1 h ILE 150 Cb 0.38 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2jg1 h ILE 150 CO 0.01 0.22 0.29 -0.08 0.00 0.00 0.00 178.15 178.59 2jg1 h GLU 151 N 0.83 0.53 -0.66 2.37 4.81 -1.22 0.42 114.58 121.66 2jg1 h GLU 151 Ca 0.21 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2jg1 h GLU 151 Cb 0.07 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2jg1 h GLU 151 CO -0.03 0.35 0.36 0.00 -0.73 0.00 0.00 179.01 178.96 2jg1 h ARG 152 N 0.55 0.91 0.12 1.92 2.47 -1.11 -0.79 114.38 118.46 2jg1 h ARG 152 Ca 0.26 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2jg1 h ARG 152 Cb 0.18 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2jg1 h ARG 152 CO -0.18 0.67 -0.06 0.00 0.56 0.00 0.00 179.97 180.96 2jg1 h GLN 154 N -0.57 0.67 0.00 0.00 5.75 -0.79 -0.81 115.11 119.36 2jg1 h GLN 154 Ca -0.02 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2jg1 h GLN 154 Cb 0.45 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 2jg1 h GLN 154 CO 0.03 0.45 -0.01 -0.91 -2.65 0.00 0.00 178.83 175.73 2jg1 h ASN 155 N 0.69 0.00 -0.08 -0.69 -0.26 -1.14 -2.99 115.58 111.11 2jg1 h ASN 155 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 2jg1 h ASN 155 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 2jg1 h ASN 155 CO -0.13 0.01 0.00 0.29 -1.06 0.00 0.00 177.43 176.54 2jg1 n LYS 156 N -3.13 2.35 -1.75 0.81 4.76 -0.42 -5.00 118.16 115.78 2jg1 n LYS 156 Ca -0.01 -1.48 -0.08 0.00 -2.87 0.00 0.00 58.31 53.87 2jg1 n LYS 156 Cb 0.19 -1.07 -0.02 0.00 -1.84 0.00 0.00 35.03 32.29 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 -0.16 0.45 3.59 0.72 0.00 -0.72 -5.02 105.19 104.05 2jg1 n GLY 157 Ca 0.03 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.34 5.26 0.32 1.61 1.01 -0.57 -5.01 120.40 120.68 2jg1 s VAL 158 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2jg1 s VAL 158 Cb 0.00 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 2jg1 s VAL 158 CO 0.00 0.18 1.25 -2.84 0.00 0.00 0.00 175.10 173.69 2jg1 s PRO 159 N 1.85 4.43 -0.19 2.72 0.02 -1.26 -4.22 135.00 138.37 2jg1 s PRO 159 Ca 0.09 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 2jg1 s PRO 159 Cb -0.16 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 2jg1 s PRO 159 CO 0.11 -0.08 -0.05 0.08 -0.33 0.00 0.00 177.00 176.73 2jg1 s VAL 160 N -1.15 3.49 -0.29 3.83 1.01 -1.26 -1.13 120.40 124.90 2jg1 s VAL 160 Ca 0.48 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2jg1 s VAL 160 Cb -0.38 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2jg1 s VAL 160 CO 0.50 0.46 0.19 -0.63 0.00 0.00 0.00 175.10 175.61 2jg1 s ILE 161 N 0.95 5.23 -0.14 2.22 1.09 0.21 -0.19 121.20 130.57 2jg1 s ILE 161 Ca -0.00 0.09 0.01 0.00 -1.10 0.00 0.00 60.65 59.64 2jg1 s ILE 161 Cb -0.15 -3.51 -0.00 0.00 -1.06 0.00 0.00 42.46 37.74 2jg1 s ILE 161 CO 0.01 0.22 -0.16 -0.22 -0.10 0.00 0.00 174.94 174.69 2jg1 s LEU 162 N 1.74 2.46 -0.55 2.97 2.96 0.46 -0.95 118.68 127.77 2jg1 s LEU 162 Ca 0.07 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 2jg1 s LEU 162 Cb -0.16 -1.55 0.16 0.00 0.50 0.00 0.00 46.19 45.14 2jg1 s LEU 162 CO 0.10 0.11 0.39 -0.62 -1.32 0.00 0.00 176.35 175.01 2jg1 s ASP 163 N 0.69 3.34 0.38 3.68 2.15 0.41 -2.64 116.67 124.67 2jg1 s ASP 163 Ca -0.08 -3.34 0.04 0.00 0.43 0.00 0.00 52.55 49.59 2jg1 s ASP 163 Cb -0.16 -1.08 -0.03 0.00 -0.30 0.00 0.00 42.92 41.35 2jg1 s ASP 163 CO 0.02 -0.15 0.12 0.00 -0.17 0.00 0.00 175.17 174.99 2jg1 s SER 165 N -3.55 0.90 0.87 0.00 1.04 -1.26 -4.66 113.70 107.05 2jg1 s SER 165 Ca 0.28 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2jg1 s SER 165 Cb 0.04 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2jg1 s SER 165 CO 0.15 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2jg1 n GLY 166 N -0.44 2.73 0.25 7.32 0.00 -1.26 -2.35 105.19 111.45 2jg1 n GLY 166 Ca 0.02 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.80 1.74 -0.16 4.61 0.00 -1.98 -1.54 119.26 121.13 2jg1 h ALA 167 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jg1 h ALA 167 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jg1 h ALA 167 CO 0.00 0.10 0.07 1.15 0.00 0.00 0.00 179.25 180.57 2jg1 h THR 168 N 0.00 1.14 -0.52 0.00 2.02 -1.87 -1.73 112.91 111.95 2jg1 h THR 168 Ca -0.00 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 2jg1 h THR 168 Cb 0.16 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2jg1 h THR 168 CO 0.01 0.13 0.07 0.25 0.37 0.00 0.00 175.52 176.36 2jg1 h LEU 169 N 0.11 0.83 -0.62 2.58 5.85 -1.26 -3.12 115.31 119.69 2jg1 h LEU 169 Ca 0.05 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.57 2jg1 h LEU 169 Cb 0.15 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2jg1 h LEU 169 CO -0.01 0.89 0.32 -0.61 -0.34 0.00 0.00 178.44 178.69 2jg1 h GLN 170 N 0.74 0.57 -0.37 1.25 5.75 -1.13 -1.44 115.11 120.49 2jg1 h GLN 170 Ca 0.16 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2jg1 h GLN 170 Cb 0.42 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 2jg1 h GLN 170 CO 0.01 0.38 0.14 1.15 -2.65 0.00 0.00 178.83 177.86 2jg1 h THR 171 N 0.59 1.15 -0.15 2.39 2.02 -1.29 -2.54 112.91 115.08 2jg1 h THR 171 Ca 0.28 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 2jg1 h THR 171 Cb 0.21 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2jg1 h THR 171 CO -0.20 0.18 -0.16 0.58 0.37 0.00 0.00 175.52 176.29 2jg1 h VAL 172 N 0.52 1.35 -0.42 3.16 2.07 -1.24 -3.16 116.25 118.52 2jg1 h VAL 172 Ca 0.13 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2jg1 h VAL 172 Cb 0.12 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2jg1 h VAL 172 CO -0.01 0.39 0.21 -0.07 0.02 0.00 0.00 177.57 178.11 2jg1 h LEU 173 N -0.00 0.51 0.00 2.57 3.38 -0.97 -1.10 115.31 119.70 2jg1 h LEU 173 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jg1 h LEU 173 Cb 0.69 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2jg1 h LEU 173 CO 0.04 0.43 -0.03 -0.62 0.09 0.00 0.00 178.44 178.35 2jg1 n GLU 174 N -4.41 0.11 -3.39 1.13 1.02 -0.99 -4.85 120.64 109.26 2jg1 n GLU 174 Ca 0.03 0.09 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 2jg1 n GLU 174 Cb 0.11 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 29.85 2jg1 n GLU 174 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jg1 s ASN 175 N -3.64 6.61 0.51 1.62 2.20 -0.42 -5.00 114.94 116.83 2jg1 s ASN 175 Ca 0.12 0.92 0.25 0.00 -0.94 0.00 0.00 52.86 53.21 2jg1 s ASN 175 Cb 0.16 -2.23 1.38 0.00 -2.00 0.00 0.00 41.25 38.57 2jg1 s ASN 175 CO 0.57 -0.09 2.07 1.55 -2.94 0.00 0.00 177.10 178.25 2jg1 h PRO 176 N 2.44 0.00 -5.47 3.55 0.13 -1.89 -3.42 132.00 127.34 2jg1 h PRO 176 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 2jg1 h PRO 176 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 2jg1 h PRO 176 CO 0.69 0.13 0.12 0.71 -0.23 0.00 0.00 178.00 179.42 2jg1 s TYR 177 N -4.32 3.23 -0.10 1.56 1.51 -1.26 -5.04 117.35 112.93 2jg1 s TYR 177 Ca -0.03 0.62 -0.03 0.00 -1.01 0.00 0.00 57.07 56.61 2jg1 s TYR 177 Cb 0.14 -2.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 2jg1 s TYR 177 CO 0.61 -0.43 0.04 0.15 -1.11 0.00 0.00 175.55 174.81 2jg1 s LYS 178 N 2.55 3.12 0.66 -0.62 -0.14 -1.26 -4.81 119.74 119.24 2jg1 s LYS 178 Ca 0.25 -0.32 -0.15 0.00 -1.36 0.00 0.00 55.97 54.38 2jg1 s LYS 178 Cb -0.15 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 33.09 2jg1 s LYS 178 CO 0.11 0.73 1.12 -1.25 -0.76 0.00 0.00 175.35 175.29 2jg1 s PRO 179 N -0.93 2.76 0.03 -1.68 0.04 -1.26 -4.84 135.00 129.12 2jg1 s PRO 179 Ca 0.14 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.49 2jg1 s PRO 179 Cb -0.12 -1.94 -0.32 0.00 0.04 0.00 0.00 34.50 32.16 2jg1 s PRO 179 CO 0.03 -1.29 0.98 1.15 0.04 0.00 0.00 177.00 177.91 2jg1 h THR 180 N 0.00 1.28 -3.75 1.26 2.02 -0.94 -3.39 112.91 109.39 2jg1 h THR 180 Ca -0.47 -2.80 -0.45 0.00 0.77 0.00 0.00 66.41 63.46 2jg1 h THR 180 Cb 1.25 2.94 -0.31 0.00 -1.74 0.00 0.00 68.15 70.28 2jg1 h THR 180 CO 0.54 0.84 -0.79 -0.69 0.37 0.00 0.00 175.52 175.79 2jg1 s VAL 181 N -2.62 0.87 0.07 3.16 1.01 -0.80 -0.90 120.40 121.20 2jg1 s VAL 181 Ca -0.08 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.59 2jg1 s VAL 181 Cb 0.06 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2jg1 s VAL 181 CO 0.90 0.27 -0.21 0.27 0.00 0.00 0.00 175.10 176.34 2jg1 s ILE 182 N 0.29 2.61 -0.51 2.22 -4.36 -0.78 -0.40 121.20 120.27 2jg1 s ILE 182 Ca -0.05 -1.38 0.07 0.00 -0.26 0.00 0.00 60.65 59.03 2jg1 s ILE 182 Cb -0.10 -2.12 0.25 0.00 1.25 0.00 0.00 42.46 41.74 2jg1 s ILE 182 CO 0.01 0.25 0.62 1.17 0.24 0.00 0.00 174.94 177.23 2jg1 n LYS 183 N 1.32 1.54 -2.31 0.37 0.00 -1.08 -1.12 118.16 116.88 2jg1 n LYS 183 Ca -0.16 -3.90 -0.33 0.00 0.00 0.00 0.00 58.31 53.92 2jg1 n LYS 183 Cb 0.52 -1.71 -0.02 0.00 0.00 0.00 0.00 35.03 33.82 2jg1 n LYS 183 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jg1 s PRO 184 N -1.75 3.70 0.81 1.64 0.04 -1.21 -4.86 135.00 133.37 2jg1 s PRO 184 Ca 0.37 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 2jg1 s PRO 184 Cb 0.16 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.68 2jg1 s PRO 184 CO -0.07 -0.49 1.16 0.54 0.04 0.00 0.00 177.00 178.19 2jg1 s ASN 185 N -2.74 4.45 0.33 6.66 2.20 -1.26 -1.53 114.94 123.05 2jg1 s ASN 185 Ca 0.62 0.85 0.02 0.00 -0.94 0.00 0.00 52.86 53.41 2jg1 s ASN 185 Cb -0.13 -1.39 0.57 0.00 -2.00 0.00 0.00 41.25 38.30 2jg1 s ASN 185 CO 0.31 -1.95 1.93 -0.29 -2.94 0.00 0.00 177.10 174.16 2jg1 h ILE 186 N -1.08 1.18 -0.40 0.54 2.10 -1.77 -1.24 117.51 116.84 2jg1 h ILE 186 Ca -0.47 -0.53 0.04 0.00 1.08 0.00 0.00 64.86 64.98 2jg1 h ILE 186 Cb 1.32 0.50 -0.04 0.00 -1.09 0.00 0.00 36.82 37.51 2jg1 h ILE 186 CO 0.65 0.22 0.17 -1.28 -1.08 0.00 0.00 178.15 176.83 2jg1 h SER 187 N 0.76 0.22 0.52 2.19 0.87 -1.94 -2.75 113.55 113.43 2jg1 h SER 187 Ca 0.19 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 2jg1 h SER 187 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2jg1 h SER 187 CO -0.02 0.16 -0.47 -0.33 -0.53 0.00 0.00 176.83 175.64 2jg1 h GLU 188 N 0.35 0.00 -0.43 2.24 5.08 -1.74 -2.87 114.58 117.21 2jg1 h GLU 188 Ca 0.18 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2jg1 h GLU 188 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2jg1 h GLU 188 CO -0.16 0.47 0.04 1.25 -1.00 0.00 0.00 179.01 179.61 2jg1 h LEU 189 N 0.00 0.72 0.18 1.33 5.85 -0.98 -3.04 115.31 119.37 2jg1 h LEU 189 Ca -0.00 -0.28 -0.34 0.00 0.84 0.00 0.00 57.88 58.09 2jg1 h LEU 189 Cb 0.86 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.70 2jg1 h LEU 189 CO 0.06 0.82 -1.69 1.88 -0.34 0.00 0.00 178.44 179.17 2jg1 h TYR 190 N 0.59 0.71 0.00 1.25 -1.99 -1.47 -3.09 116.97 112.96 2jg1 h TYR 190 Ca 0.13 -0.52 -0.02 0.00 2.00 0.00 0.00 58.73 60.32 2jg1 h TYR 190 Cb 0.43 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 2jg1 h TYR 190 CO 0.03 1.62 -0.11 -0.56 -0.00 0.00 0.00 178.16 179.14 2jg1 h GLN 191 N 0.11 0.00 0.00 4.88 3.07 -1.64 0.11 115.11 121.63 2jg1 h GLN 191 Ca -0.32 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.30 2jg1 h GLN 191 Cb 2.10 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.64 2jg1 h GLN 191 CO 0.19 0.11 -0.56 1.25 0.09 0.00 0.00 178.83 179.90 2jg1 h LEU 192 N 0.00 0.00 -0.72 0.06 5.85 -1.57 -3.09 115.31 115.84 2jg1 h LEU 192 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jg1 h LEU 192 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2jg1 h LEU 192 CO 0.01 0.56 -0.15 0.18 -0.34 0.00 0.00 178.44 178.70 2jg1 n LEU 193 N -3.77 1.28 -4.04 2.25 4.32 -0.09 -4.95 117.00 111.99 2jg1 n LEU 193 Ca -0.01 -0.38 -0.33 0.00 -0.02 0.00 0.00 56.01 55.26 2jg1 n LEU 193 Cb 0.59 -0.07 -0.01 0.00 -1.62 0.00 0.00 43.42 42.30 2jg1 n LEU 193 CO 0.41 0.23 -0.00 0.59 -1.22 0.00 0.00 177.39 177.39 2jg1 n ASN 194 N -0.27 -3.65 -4.21 -1.43 3.02 -0.50 -4.98 115.26 103.24 2jg1 n ASN 194 Ca 0.15 -0.87 -0.13 0.00 -0.03 0.00 0.00 54.58 53.69 2jg1 n ASN 194 Cb 0.36 -2.98 -0.10 0.00 -0.61 0.00 0.00 39.78 36.45 2jg1 n ASN 194 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jg1 s GLN 195 N -6.74 0.95 0.51 3.52 -2.07 -1.07 -5.05 119.66 109.70 2jg1 s GLN 195 Ca 0.69 -1.34 -0.21 0.00 -1.82 0.00 0.00 55.36 52.68 2jg1 s GLN 195 Cb -0.37 -0.51 -0.06 0.00 -1.09 0.00 0.00 33.01 30.98 2jg1 s GLN 195 CO 0.84 0.06 1.14 -2.14 -1.32 0.00 0.00 175.29 173.87 2jg1 s PRO 196 N -3.47 3.51 0.05 9.60 0.02 -1.26 -4.32 135.00 139.13 2jg1 s PRO 196 Ca 0.12 1.65 -0.30 0.00 0.02 0.00 0.00 61.00 62.49 2jg1 s PRO 196 Cb 0.01 -2.14 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 2jg1 s PRO 196 CO -0.01 -0.73 1.73 -1.17 -0.33 0.00 0.00 177.00 176.50 2jg1 s LEU 197 N -3.52 4.37 -0.09 -5.54 0.20 -1.26 -5.00 118.68 107.84 2jg1 s LEU 197 Ca 0.69 2.51 -0.01 0.00 0.69 0.00 0.00 54.13 58.02 2jg1 s LEU 197 Cb -0.25 -3.55 0.03 0.00 -0.43 0.00 0.00 46.19 41.98 2jg1 s LEU 197 CO 0.29 -0.94 -0.03 -0.62 -0.29 0.00 0.00 176.35 174.76 2jg1 s ASP 198 N 2.96 1.87 0.00 3.68 2.15 -1.26 -5.03 116.67 121.04 2jg1 s ASP 198 Ca 0.77 -0.20 0.26 0.00 0.43 0.00 0.00 52.55 53.81 2jg1 s ASP 198 Cb -0.40 -0.61 1.32 0.00 -0.30 0.00 0.00 42.92 42.93 2jg1 s ASP 198 CO 0.34 -0.17 1.87 -0.62 -0.17 0.00 0.00 175.17 176.42 2jg1 n GLU 199 N 5.06 1.26 -2.67 4.34 1.02 -1.26 -4.58 120.64 123.80 2jg1 n GLU 199 Ca -0.09 -0.38 -0.35 0.00 -0.02 0.00 0.00 57.16 56.32 2jg1 n GLU 199 Cb 0.50 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.81 6.77 0.24 1.62 1.04 -1.26 -4.97 113.70 115.33 2jg1 s SER 200 Ca 0.38 1.86 -0.04 0.00 0.48 0.00 0.00 55.95 58.62 2jg1 s SER 200 Cb 0.18 -2.56 0.27 0.00 0.10 0.00 0.00 66.02 64.01 2jg1 s SER 200 CO 0.30 -0.48 1.75 -0.07 0.98 0.00 0.00 173.24 175.72 2jg1 h LEU 201 N 2.09 0.87 -0.50 2.42 3.38 -1.99 -2.21 115.31 119.38 2jg1 h LEU 201 Ca -0.49 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.16 2jg1 h LEU 201 Cb 1.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2jg1 h LEU 201 CO 0.61 0.90 -0.17 -0.33 0.09 0.00 0.00 178.44 179.54 2jg1 h GLU 202 N 0.86 0.99 -0.38 1.13 3.07 -1.97 -1.22 114.58 117.06 2jg1 h GLU 202 Ca 0.17 -0.40 -0.09 0.00 -0.50 0.00 0.00 59.36 58.54 2jg1 h GLU 202 Cb 0.41 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2jg1 h GLU 202 CO 0.01 1.08 -0.11 1.03 -1.40 0.00 0.00 179.01 179.62 2jg1 h SER 203 N 0.85 0.76 -0.56 1.42 0.87 -1.89 -2.80 113.55 112.19 2jg1 h SER 203 Ca 0.12 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.34 2jg1 h SER 203 Cb 0.74 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 2jg1 h SER 203 CO 0.06 0.95 0.32 -0.07 -0.53 0.00 0.00 176.83 177.56 2jg1 h LEU 204 N 0.55 0.49 -0.46 2.23 3.38 -1.25 -0.65 115.31 119.60 2jg1 h LEU 204 Ca 0.09 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2jg1 h LEU 204 Cb 0.63 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2jg1 h LEU 204 CO 0.04 0.34 0.23 0.11 0.09 0.00 0.00 178.44 179.25 2jg1 h LYS 205 N 0.62 0.44 -0.28 1.13 1.57 -1.16 -2.00 116.57 116.88 2jg1 h LYS 205 Ca 0.24 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2jg1 h LYS 205 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2jg1 h LYS 205 CO -0.13 0.29 0.07 0.37 -0.57 0.00 0.00 179.45 179.49 2jg1 h GLN 206 N 0.45 0.45 0.19 3.15 4.15 -1.25 -2.65 115.11 119.60 2jg1 h GLN 206 Ca 0.20 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.52 2jg1 h GLN 206 Cb 0.11 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 2jg1 h GLN 206 CO -0.14 0.52 -0.52 0.00 -1.93 0.00 0.00 178.83 176.77 2jg1 h ALA 207 N 0.90 -1.02 0.00 3.38 0.00 -0.82 -2.24 119.26 119.45 2jg1 h ALA 207 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jg1 h ALA 207 Cb 0.27 0.86 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jg1 h ALA 207 CO -0.00 -1.13 0.00 1.33 0.00 0.00 0.00 179.25 179.45 2jg1 n VAL 208 N -5.42 0.96 0.93 0.00 0.24 -0.78 -2.55 118.33 111.72 2jg1 n VAL 208 Ca -0.09 0.27 0.11 0.00 -2.04 0.00 0.00 64.34 62.59 2jg1 n VAL 208 Cb 0.41 -1.13 0.14 0.00 -1.47 0.00 0.00 33.84 31.80 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 -1.88 0.63 -4.63 -1.34 7.64 -0.88 -4.77 113.62 108.38 2jg1 n SER 209 Ca 0.02 -0.38 -0.36 0.00 1.01 0.00 0.00 58.87 59.16 2jg1 n SER 209 Cb 0.19 0.47 0.08 0.00 -1.01 0.00 0.00 64.21 63.93 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 -1.58 0.70 0.00 1.43 6.02 -1.00 -4.88 117.38 118.07 2jg1 n GLN 210 Ca 0.05 0.29 0.04 0.00 -0.01 0.00 0.00 57.00 57.37 2jg1 n GLN 210 Cb 0.35 -2.26 0.20 0.00 1.02 0.00 0.00 30.24 29.55 2jg1 n GLN 210 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2jg1 n PRO 211 N -1.67 0.07 -0.20 -1.09 -0.02 -1.26 -1.54 135.00 129.29 2jg1 n PRO 211 Ca 0.14 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2jg1 n PRO 211 Cb 0.49 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.65 2jg1 n PRO 211 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jg1 h LEU 212 N 0.00 0.88 -3.05 2.45 6.46 -1.94 -3.19 115.31 116.92 2jg1 h LEU 212 Ca 0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2jg1 h LEU 212 Cb 0.11 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 2jg1 h LEU 212 CO 0.00 0.77 0.00 0.49 -0.62 0.00 0.00 178.44 179.08 2jg1 n PHE 213 N -4.32 1.39 -1.97 1.25 3.01 -0.59 -4.70 117.46 111.53 2jg1 n PHE 213 Ca 0.06 -0.58 -0.37 0.00 1.01 0.00 0.00 57.45 57.57 2jg1 n PHE 213 Cb 0.15 -0.19 0.03 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.64 3.08 0.00 -1.08 2.12 -1.21 -3.11 118.70 116.87 2jg1 s GLU 214 Ca 0.51 1.94 0.00 0.00 0.36 0.00 0.00 54.97 57.79 2jg1 s GLU 214 Cb 0.32 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.64 2jg1 s GLU 214 CO 0.27 -1.15 0.00 0.41 -0.54 0.00 0.00 175.26 174.26 2jg1 n GLY 215 N 0.60 0.72 3.47 -1.50 0.00 -1.26 -5.00 105.19 102.21 2jg1 n GLY 215 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.97 4.83 0.06 -0.61 1.01 -1.18 -4.86 121.20 117.49 2jg1 s ILE 216 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 2jg1 s ILE 216 Cb 0.00 -3.46 -0.17 0.00 0.01 0.00 0.00 42.46 38.85 2jg1 s ILE 216 CO 0.00 0.06 1.59 -0.08 0.00 0.00 0.00 174.94 176.51 2jg1 h GLU 217 N 8.39 -0.29 -5.18 2.79 4.81 -1.75 -3.42 114.58 119.93 2jg1 h GLU 217 Ca -0.32 0.02 -0.66 0.00 -0.13 0.00 0.00 59.36 58.26 2jg1 h GLU 217 Cb 1.15 0.07 -0.30 0.00 0.63 0.00 0.00 28.75 30.30 2jg1 h GLU 217 CO 0.62 -0.12 -0.79 -1.58 -0.73 0.00 0.00 179.01 176.40 2jg1 s TRP 218 N -5.75 2.81 -0.31 0.92 0.52 -0.08 -1.10 118.94 115.96 2jg1 s TRP 218 Ca -0.15 -1.00 -0.01 0.00 0.02 0.00 0.00 56.10 54.96 2jg1 s TRP 218 Cb 0.04 -1.91 0.06 0.00 -1.15 0.00 0.00 33.47 30.51 2jg1 s TRP 218 CO 0.63 -0.46 0.00 0.42 0.02 0.00 0.00 176.95 177.57 2jg1 s ILE 219 N 0.85 2.85 -0.38 2.03 1.01 -0.16 -1.87 121.20 125.53 2jg1 s ILE 219 Ca -0.04 -1.54 -0.05 0.00 0.00 0.00 0.00 60.65 59.02 2jg1 s ILE 219 Cb -0.15 -2.70 0.08 0.00 0.01 0.00 0.00 42.46 39.70 2jg1 s ILE 219 CO -0.00 -0.18 0.16 -0.63 0.00 0.00 0.00 174.94 174.28 2jg1 s ILE 220 N 1.20 3.49 -0.44 2.92 1.01 -0.28 -0.85 121.20 128.26 2jg1 s ILE 220 Ca -0.04 -1.63 -0.19 0.00 0.00 0.00 0.00 60.65 58.79 2jg1 s ILE 220 Cb -0.20 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.11 2jg1 s ILE 220 CO -0.02 -0.44 0.58 -0.69 0.00 0.00 0.00 174.94 174.36 2jg1 s VAL 221 N 1.27 4.91 0.24 2.92 1.01 0.48 -3.35 120.40 127.88 2jg1 s VAL 221 Ca 0.03 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.68 2jg1 s VAL 221 Cb -0.22 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2jg1 s VAL 221 CO -0.01 -0.57 0.80 -0.94 0.00 0.00 0.00 175.10 174.38 2jg1 s SER 222 N 2.02 7.21 -0.24 3.32 1.04 -0.58 -0.94 113.70 125.53 2jg1 s SER 222 Ca 0.19 1.58 0.13 0.00 0.48 0.00 0.00 55.95 58.33 2jg1 s SER 222 Cb -0.16 -2.48 0.46 0.00 0.10 0.00 0.00 66.02 63.95 2jg1 s SER 222 CO 0.17 0.04 1.17 0.18 0.98 0.00 0.00 173.24 175.78 2jg1 n LEU 223 N 0.85 3.33 0.00 2.42 4.77 0.45 -2.20 117.00 126.63 2jg1 n LEU 223 Ca -0.02 -3.92 0.00 0.00 -0.03 0.00 0.00 56.01 52.05 2jg1 n LEU 223 Cb 0.50 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2jg1 n LEU 223 CO 0.44 1.57 0.00 0.61 -1.33 0.00 0.00 177.39 178.68 2jg1 n GLY 224 N -0.64 2.72 0.32 -0.72 0.00 -1.26 -1.18 105.19 104.43 2jg1 n GLY 224 Ca 0.27 0.15 0.21 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.24 1.00 -0.03 4.61 0.00 -2.00 -2.21 119.26 120.39 2jg1 h ALA 225 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jg1 h ALA 225 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jg1 h ALA 225 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 2jg1 n GLN 226 N -3.05 1.41 0.00 0.00 1.13 -0.33 -4.81 117.38 111.73 2jg1 n GLN 226 Ca -0.02 -0.59 0.00 0.00 -1.94 0.00 0.00 57.00 54.45 2jg1 n GLN 226 Cb 0.13 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.02 2jg1 n GLN 226 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jg1 n GLY 227 N 1.08 1.30 3.21 1.08 0.00 -0.83 -4.61 105.19 106.42 2jg1 n GLY 227 Ca 0.20 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.47 -0.04 4.61 0.00 -0.81 -0.41 121.76 122.64 2jg1 s ALA 228 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.80 2jg1 s ALA 228 Cb 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 2jg1 s ALA 228 CO 0.00 -0.39 -0.18 0.12 0.00 0.00 0.00 175.76 175.30 2jg1 s PHE 229 N -2.67 1.80 0.03 0.00 5.36 -0.11 -0.37 117.98 122.03 2jg1 s PHE 229 Ca -0.04 -0.51 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 2jg1 s PHE 229 Cb -0.01 -1.21 -0.02 0.00 -0.34 0.00 0.00 43.02 41.44 2jg1 s PHE 229 CO -0.04 -0.16 -0.04 0.00 -1.46 0.00 0.00 175.22 173.51 2jg1 s ALA 230 N -0.03 0.31 -0.14 11.12 0.00 -0.20 -0.38 121.76 132.44 2jg1 s ALA 230 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2jg1 s ALA 230 Cb -0.11 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.17 2jg1 s ALA 230 CO 0.02 -0.16 -0.13 0.21 0.00 0.00 0.00 175.76 175.69 2jg1 s LYS 231 N -1.95 2.18 -0.23 0.00 2.20 -0.03 -0.50 119.74 121.42 2jg1 s LYS 231 Ca -0.10 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 2jg1 s LYS 231 Cb -0.07 -2.00 0.01 0.00 -1.51 0.00 0.00 37.83 34.26 2jg1 s LYS 231 CO -0.02 -0.21 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.11 2jg1 s HIS 232 N 1.44 2.99 0.00 4.03 5.65 -0.12 -0.99 115.29 128.29 2jg1 s HIS 232 Ca 0.03 -1.32 0.00 0.00 0.25 0.00 0.00 55.06 54.02 2jg1 s HIS 232 Cb -0.13 -2.07 0.00 0.00 -1.18 0.00 0.00 32.58 29.20 2jg1 s HIS 232 CO -0.09 -0.67 0.00 0.09 -0.65 0.00 0.00 174.74 173.42 2jg1 n ASN 233 N 4.72 0.00 -0.44 9.88 3.02 -0.25 -0.41 115.26 131.77 2jg1 n ASN 233 Ca -0.18 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.45 2jg1 n ASN 233 Cb 0.49 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.81 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 0.00 0.00 -5.16 3.10 8.25 -1.26 -5.03 115.22 115.12 2jg1 n HIS 234 Ca 0.00 -1.12 -0.30 0.00 -0.26 0.00 0.00 57.72 56.04 2jg1 n HIS 234 Cb 0.00 -0.19 -0.16 0.00 1.12 0.00 0.00 29.99 30.77 2jg1 n HIS 234 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2jg1 s THR 235 N -2.64 1.99 -0.12 1.59 2.01 0.45 -5.13 115.64 113.78 2jg1 s THR 235 Ca 0.33 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2jg1 s THR 235 Cb 0.31 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2jg1 s THR 235 CO -0.03 0.50 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 2jg1 s PHE 236 N -0.64 2.87 0.04 4.92 0.08 -1.26 -0.94 117.98 123.04 2jg1 s PHE 236 Ca 0.10 -0.43 0.08 0.00 0.12 0.00 0.00 56.93 56.80 2jg1 s PHE 236 Cb -0.10 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2jg1 s PHE 236 CO -0.00 -0.06 -0.23 0.71 -0.10 0.00 0.00 175.22 175.54 2jg1 s TYR 237 N 0.11 2.43 -0.11 0.36 2.02 0.34 -1.44 117.35 121.07 2jg1 s TYR 237 Ca -0.04 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2jg1 s TYR 237 Cb -0.14 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 2jg1 s TYR 237 CO 0.04 0.18 -0.18 0.50 -1.57 0.00 0.00 175.55 174.51 2jg1 s ARG 238 N -1.28 3.14 -0.34 -0.62 6.06 -0.68 -1.03 118.95 124.20 2jg1 s ARG 238 Ca 0.13 -0.77 -0.01 0.00 -2.50 0.00 0.00 55.73 52.58 2jg1 s ARG 238 Cb -0.10 -2.46 0.08 0.00 0.06 0.00 0.00 34.95 32.53 2jg1 s ARG 238 CO 0.03 0.24 0.08 0.08 -2.50 0.00 0.00 175.30 173.23 2jg1 s VAL 239 N 0.24 2.88 -0.03 7.11 1.01 0.51 -2.34 120.40 129.78 2jg1 s VAL 239 Ca -0.12 -1.85 -0.16 0.00 0.00 0.00 0.00 61.98 59.85 2jg1 s VAL 239 Cb -0.16 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2jg1 s VAL 239 CO 0.06 -0.42 0.44 0.20 0.00 0.00 0.00 175.10 175.39 2jg1 s ASN 240 N 1.37 6.80 0.04 3.32 0.01 -0.03 -1.93 114.94 124.53 2jg1 s ASN 240 Ca 0.03 0.95 0.04 0.00 -0.71 0.00 0.00 52.86 53.17 2jg1 s ASN 240 Cb -0.21 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 2jg1 s ASN 240 CO -0.04 0.22 -0.13 0.27 -1.51 0.00 0.00 177.10 175.91 2jg1 s ILE 241 N -0.57 1.02 0.71 0.60 -4.36 -1.26 -1.69 121.20 115.65 2jg1 s ILE 241 Ca 0.25 -1.03 -0.15 0.00 -0.26 0.00 0.00 60.65 59.46 2jg1 s ILE 241 Cb -0.17 -0.95 0.03 0.00 1.25 0.00 0.00 42.46 42.62 2jg1 s ILE 241 CO 0.13 -0.08 1.16 -2.16 0.24 0.00 0.00 174.94 174.24 2jg1 s PRO 242 N -1.26 2.36 0.09 0.37 0.04 -1.26 -4.91 135.00 130.43 2jg1 s PRO 242 Ca -0.00 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 2jg1 s PRO 242 Cb -0.08 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2jg1 s PRO 242 CO 0.01 -1.63 1.02 0.99 0.04 0.00 0.00 177.00 177.44 2jg1 s THR 243 N -2.18 4.41 0.29 1.26 2.01 -1.26 -5.05 115.64 115.12 2jg1 s THR 243 Ca 0.71 1.90 0.02 0.00 0.31 0.00 0.00 61.69 64.63 2jg1 s THR 243 Cb -0.25 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 2jg1 s THR 243 CO 0.44 0.25 0.10 0.27 -0.69 0.00 0.00 174.62 174.99 2jg1 s ILE 244 N 0.33 0.68 -0.54 1.82 -5.25 -1.26 -5.11 121.20 111.87 2jg1 s ILE 244 Ca 0.50 -2.00 -0.26 0.00 -0.99 0.00 0.00 60.65 57.91 2jg1 s ILE 244 Cb -0.25 -2.65 0.04 0.00 2.95 0.00 0.00 42.46 42.55 2jg1 s ILE 244 CO 0.30 0.00 1.01 -0.44 -1.79 0.00 0.00 174.94 174.02 2jg1 s SER 245 N -3.38 6.41 -0.01 4.36 0.01 -1.26 -5.02 113.70 114.81 2jg1 s SER 245 Ca 0.37 -0.12 -0.21 0.00 1.31 0.00 0.00 55.95 57.29 2jg1 s SER 245 Cb 0.07 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 2jg1 s SER 245 CO 0.15 -1.26 0.62 -0.69 0.41 0.00 0.00 173.24 172.46 2jg1 s VAL 246 N 4.19 4.90 -0.13 3.43 1.01 -1.26 -4.37 120.40 128.18 2jg1 s VAL 246 Ca 0.35 1.29 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 2jg1 s VAL 246 Cb -0.11 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2jg1 s VAL 246 CO 0.23 0.40 -0.18 0.18 0.00 0.00 0.00 175.10 175.73 2jg1 n LEU 247 N 2.81 1.06 -3.26 3.92 4.77 0.78 -4.97 117.00 122.10 2jg1 n LEU 247 Ca -0.06 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2jg1 n LEU 247 Cb 0.51 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2jg1 n LEU 247 CO 0.44 0.17 0.01 0.21 -1.33 0.00 0.00 177.39 176.89 2jg1 s ASN 248 N -6.21 -0.34 0.00 -1.43 2.47 -0.91 -4.90 114.94 103.62 2jg1 s ASN 248 Ca -0.19 0.13 0.31 0.00 0.42 0.00 0.00 52.86 53.54 2jg1 s ASN 248 Cb 0.07 1.47 1.79 0.00 -1.45 0.00 0.00 41.25 43.13 2jg1 s ASN 248 CO 0.24 -0.31 2.16 -0.81 -3.72 0.00 0.00 177.10 174.66 2jg1 n PRO 249 N 5.38 0.86 -2.05 0.43 -0.04 -1.26 -4.01 135.00 134.31 2jg1 n PRO 249 Ca -0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2jg1 n PRO 249 Cb 0.51 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 2jg1 n PRO 249 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jg1 s VAL 250 N -2.13 2.81 0.00 0.52 1.01 -1.26 -1.98 120.40 119.37 2jg1 s VAL 250 Ca 0.43 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2jg1 s VAL 250 Cb 0.21 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2jg1 s VAL 250 CO 0.38 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2jg1 n GLY 251 N 2.66 0.68 0.15 4.51 0.00 -1.26 -4.17 105.19 107.77 2jg1 n GLY 251 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.38 -0.45 1.61 0.02 -1.69 -1.23 113.55 112.19 2jg1 h SER 252 Ca 0.00 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 2jg1 h SER 252 Cb 0.00 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2jg1 h SER 252 CO 0.00 1.03 -0.13 1.23 -1.14 0.00 0.00 176.83 177.82 2jg1 h GLY 253 N 1.50 0.95 1.05 -3.77 0.00 -1.91 0.78 103.07 101.67 2jg1 h GLY 253 Ca -0.04 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.52 2jg1 h GLY 253 CO 0.13 0.73 0.58 -0.55 0.00 0.00 0.00 176.54 177.43 2jg1 h ASP 254 N 0.71 0.97 -0.38 0.19 3.32 -1.91 0.41 116.42 119.73 2jg1 h ASP 254 Ca 0.11 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 2jg1 h ASP 254 Cb 0.68 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2jg1 h ASP 254 CO 0.05 0.68 -0.37 0.28 -1.72 0.00 0.00 179.24 178.16 2jg1 h SER 255 N 1.13 0.99 0.00 6.45 0.02 -1.00 -1.42 113.55 119.72 2jg1 h SER 255 Ca 0.34 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2jg1 h SER 255 Cb -0.03 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 2jg1 h SER 255 CO -0.09 1.24 -0.15 0.74 -1.14 0.00 0.00 176.83 177.42 2jg1 h THR 256 N 0.77 0.63 -0.91 -2.27 2.02 -0.45 -2.15 112.91 110.55 2jg1 h THR 256 Ca 0.07 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.35 2jg1 h THR 256 Cb 0.96 0.63 -0.08 0.00 -1.74 0.00 0.00 68.15 67.92 2jg1 h THR 256 CO 0.09 0.00 0.55 0.58 0.37 0.00 0.00 175.52 177.11 2jg1 h VAL 257 N -0.25 0.93 -0.55 3.16 2.07 -0.73 0.12 116.25 120.98 2jg1 h VAL 257 Ca 0.05 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2jg1 h VAL 257 Cb 0.32 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2jg1 h VAL 257 CO -0.15 0.16 0.32 0.00 0.02 0.00 0.00 177.57 177.93 2jg1 h ALA 258 N 1.49 0.71 -0.35 1.67 0.00 -1.14 -0.53 119.26 121.11 2jg1 h ALA 258 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2jg1 h ALA 258 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2jg1 h ALA 258 CO -0.25 0.03 0.16 0.78 0.00 0.00 0.00 179.25 179.97 2jg1 h GLY 259 N 0.64 0.54 0.85 0.00 0.00 -0.29 -0.21 103.07 104.60 2jg1 h GLY 259 Ca 0.23 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.31 2jg1 h GLY 259 CO -0.11 0.26 0.32 -2.22 0.00 0.00 0.00 176.54 174.79 2jg1 h ILE 260 N 0.42 1.04 -0.31 2.60 2.04 -0.79 -1.78 117.51 120.73 2jg1 h ILE 260 Ca 0.12 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 2jg1 h ILE 260 Cb 0.13 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2jg1 h ILE 260 CO -0.01 0.12 -0.10 0.74 0.00 0.00 0.00 178.15 178.89 2jg1 h THR 261 N 0.64 1.29 -0.94 -0.27 2.02 -0.74 0.04 112.91 114.94 2jg1 h THR 261 Ca 0.22 -1.17 0.10 0.00 0.77 0.00 0.00 66.41 66.34 2jg1 h THR 261 Cb 0.04 1.40 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 2jg1 h THR 261 CO -0.11 0.38 0.58 -1.28 0.37 0.00 0.00 175.52 175.46 2jg1 h SER 262 N 0.38 0.86 -0.10 4.18 0.87 -0.99 -0.28 113.55 118.47 2jg1 h SER 262 Ca 0.07 0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.46 2jg1 h SER 262 Cb 0.61 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2jg1 h SER 262 CO 0.04 0.48 -0.76 0.00 -0.53 0.00 0.00 176.83 176.06 2jg1 h ALA 263 N 1.50 0.37 -0.23 6.23 0.00 -0.86 -2.66 119.26 123.61 2jg1 h ALA 263 Ca 0.46 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jg1 h ALA 263 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2jg1 h ALA 263 CO -0.25 0.70 0.08 0.82 0.00 0.00 0.00 179.25 180.60 2jg1 h ILE 264 N 0.51 1.19 -0.92 0.00 1.08 -0.78 -1.05 117.51 117.54 2jg1 h ILE 264 Ca -0.05 -0.58 0.17 0.00 -0.39 0.00 0.00 64.86 64.01 2jg1 h ILE 264 Cb 1.38 1.13 -0.10 0.00 -3.07 0.00 0.00 36.82 36.16 2jg1 h ILE 264 CO 0.15 0.19 0.51 0.25 -0.69 0.00 0.00 178.15 178.56 2jg1 h LEU 265 N 0.21 0.63 -1.42 1.44 5.85 -1.03 -2.42 115.31 118.57 2jg1 h LEU 265 Ca 0.08 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2jg1 h LEU 265 Cb 0.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2jg1 h LEU 265 CO -0.00 0.24 0.00 0.59 -0.34 0.00 0.00 178.44 178.92 2jg1 n ASN 266 N -4.83 2.16 -3.61 1.25 3.02 -1.01 -4.96 115.26 107.28 2jg1 n ASN 266 Ca 0.20 -1.75 -0.25 0.00 -0.03 0.00 0.00 54.58 52.75 2jg1 n ASN 266 Cb 0.50 -0.09 0.06 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.66 -2.63 -1.73 3.10 8.25 -0.61 -4.97 115.22 117.29 2jg1 n HIS 267 Ca 0.17 0.92 -0.34 0.00 -0.26 0.00 0.00 57.72 58.22 2jg1 n HIS 267 Cb 0.43 -4.68 0.05 0.00 1.12 0.00 0.00 29.99 26.91 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 -6.32 2.69 0.85 -0.41 2.02 -0.50 -5.03 118.70 111.99 2jg1 s GLU 268 Ca 0.57 1.51 -0.12 0.00 0.02 0.00 0.00 54.97 56.96 2jg1 s GLU 268 Cb -0.26 -1.93 0.10 0.00 0.10 0.00 0.00 34.13 32.14 2jg1 s GLU 268 CO 0.71 -1.36 1.11 0.54 0.02 0.00 0.00 175.26 176.27 2jg1 s ASN 269 N -2.34 4.01 0.18 -0.19 2.20 -1.26 -4.76 114.94 112.78 2jg1 s ASN 269 Ca 0.70 1.24 -0.14 0.00 -0.94 0.00 0.00 52.86 53.72 2jg1 s ASN 269 Cb -0.23 -1.92 0.16 0.00 -2.00 0.00 0.00 41.25 37.25 2jg1 s ASN 269 CO 0.41 -2.26 1.72 0.44 -2.94 0.00 0.00 177.10 174.47 2jg1 h ASP 270 N -1.29 0.03 -0.12 3.54 5.19 -1.99 -0.45 116.42 121.33 2jg1 h ASP 270 Ca -0.49 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.00 2jg1 h ASP 270 Cb 1.29 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 2jg1 h ASP 270 CO 0.59 0.05 0.07 0.45 -3.12 0.00 0.00 179.24 177.28 2jg1 h HIS 271 N 0.24 0.16 -0.69 4.55 3.86 -1.99 -1.63 115.15 119.66 2jg1 h HIS 271 Ca 0.23 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 2jg1 h HIS 271 Cb 0.28 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 2jg1 h HIS 271 CO -0.21 0.17 0.21 -0.44 0.86 0.00 0.00 177.93 178.53 2jg1 h ASP 272 N 0.11 0.99 0.50 2.45 3.32 -1.84 -1.24 116.42 120.71 2jg1 h ASP 272 Ca 0.04 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2jg1 h ASP 272 Cb 0.06 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2jg1 h ASP 272 CO -0.01 0.93 -0.24 0.25 -1.72 0.00 0.00 179.24 178.45 2jg1 h LEU 273 N 1.02 -0.57 -1.36 1.55 6.46 -0.96 -1.04 115.31 120.40 2jg1 h LEU 273 Ca 0.22 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2jg1 h LEU 273 Cb 0.29 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2jg1 h LEU 273 CO -0.01 -0.39 0.24 -0.07 -0.62 0.00 0.00 178.44 177.60 2jg1 h LEU 274 N -0.69 0.60 -0.21 2.25 3.38 -1.22 -1.33 115.31 118.10 2jg1 h LEU 274 Ca -0.07 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 2jg1 h LEU 274 Cb 0.52 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jg1 h LEU 274 CO 0.11 0.51 -0.65 0.11 0.09 0.00 0.00 178.44 178.61 2jg1 h LYS 275 N 0.68 0.82 -0.44 1.13 1.57 -1.17 -2.37 116.57 116.79 2jg1 h LYS 275 Ca 0.17 -0.60 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 2jg1 h LYS 275 Cb 0.06 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2jg1 h LYS 275 CO -0.03 1.22 0.12 -0.22 -0.57 0.00 0.00 179.45 179.97 2jg1 h LYS 276 N 0.57 0.69 0.07 3.15 3.64 -0.88 -0.98 116.57 122.82 2jg1 h LYS 276 Ca -0.02 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2jg1 h LYS 276 Cb 1.28 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2jg1 h LYS 276 CO 0.14 0.68 -0.06 0.00 -2.27 0.00 0.00 179.45 177.94 2jg1 h ALA 277 N 0.97 -0.13 -0.21 5.00 0.00 -1.27 -1.56 119.26 122.07 2jg1 h ALA 277 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2jg1 h ALA 277 Cb 0.29 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2jg1 h ALA 277 CO -0.00 -0.58 -0.39 -0.91 0.00 0.00 0.00 179.25 177.37 2jg1 h ASN 278 N -0.15 0.49 -0.56 0.00 4.21 -1.42 -2.28 115.58 115.87 2jg1 h ASN 278 Ca 0.00 -0.21 -0.02 0.00 1.21 0.00 0.00 56.30 57.28 2jg1 h ASN 278 Cb 0.14 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 2jg1 h ASN 278 CO -0.01 0.83 0.26 0.74 -1.29 0.00 0.00 177.43 177.96 2jg1 h THR 279 N 0.39 1.21 -0.52 2.81 2.02 -0.96 -2.87 112.91 115.00 2jg1 h THR 279 Ca 0.04 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.50 2jg1 h THR 279 Cb 0.85 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2jg1 h THR 279 CO 0.07 0.24 -0.11 -0.07 0.37 0.00 0.00 175.52 176.02 2jg1 h LEU 280 N 0.76 0.96 -0.70 2.58 3.38 -1.21 -0.52 115.31 120.56 2jg1 h LEU 280 Ca 0.19 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jg1 h LEU 280 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jg1 h LEU 280 CO -0.02 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2jg1 n GLY 281 N -0.32 0.00 1.53 0.83 0.00 -0.87 -2.00 105.19 104.37 2jg1 n GLY 281 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.20 0.00 -0.12 0.99 4.77 -0.20 -2.06 117.00 120.57 2jg1 n LEU 283 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2jg1 n LEU 283 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2jg1 n LEU 283 CO 0.00 0.00 0.59 -1.13 -1.33 0.00 0.00 177.39 175.52 2jg1 h ASN 284 N 0.00 0.95 0.30 -1.43 -1.24 -1.48 -3.09 115.58 109.58 2jg1 h ASN 284 Ca 0.00 -0.45 -0.02 0.00 0.71 0.00 0.00 56.30 56.55 2jg1 h ASN 284 Cb 0.00 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 38.78 2jg1 h ASN 284 CO 0.00 1.20 -0.08 0.00 -1.29 0.00 0.00 177.43 177.26 2jg1 h ALA 285 N 0.78 1.29 -0.00 1.57 0.00 -1.55 -1.19 119.26 120.16 2jg1 h ALA 285 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jg1 h ALA 285 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jg1 h ALA 285 CO 0.08 0.10 -0.01 1.04 0.00 0.00 0.00 179.25 180.46 2jg1 n GLN 286 N -3.61 0.26 -4.09 0.00 6.02 -1.17 -0.16 117.38 114.64 2jg1 n GLN 286 Ca -0.02 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 2jg1 n GLN 286 Cb 0.20 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.89 2jg1 n GLN 286 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jg1 s GLU 287 N -2.75 2.75 0.21 -1.09 0.41 -0.45 -4.49 118.70 113.29 2jg1 s GLU 287 Ca 0.22 -0.78 0.10 0.00 -0.41 0.00 0.00 54.97 54.11 2jg1 s GLU 287 Cb 0.20 -2.64 0.10 0.00 -1.78 0.00 0.00 34.13 30.00 2jg1 s GLU 287 CO 0.49 0.54 1.45 0.00 -0.49 0.00 0.00 175.26 177.26 2jg1 h ALA 288 N 3.22 0.66 -2.33 5.21 0.00 -1.88 -2.88 119.26 121.25 2jg1 h ALA 288 Ca -0.47 -0.68 -0.50 0.00 0.00 0.00 0.00 54.91 53.25 2jg1 h ALA 288 Cb 1.17 -0.12 0.08 0.00 0.00 0.00 0.00 17.79 18.92 2jg1 h ALA 288 CO 0.63 0.94 0.37 -0.65 0.00 0.00 0.00 179.25 180.55 2jg1 s GLN 289 N -3.12 3.16 -0.26 0.00 -0.21 -1.26 -4.81 119.66 113.16 2jg1 s GLN 289 Ca 0.01 1.07 -0.09 0.00 0.02 0.00 0.00 55.36 56.36 2jg1 s GLN 289 Cb 0.11 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 2jg1 s GLN 289 CO 0.78 -0.92 0.13 0.99 -2.12 0.00 0.00 175.29 174.15 2jg1 s THR 290 N -2.75 4.86 -0.40 -0.19 2.01 -1.26 -4.44 115.64 113.48 2jg1 s THR 290 Ca 0.61 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 2jg1 s THR 290 Cb -0.15 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 2jg1 s THR 290 CO 0.45 0.30 0.35 0.61 -0.69 0.00 0.00 174.62 175.64 2jg1 n GLY 291 N 4.92 0.14 3.24 4.40 0.00 -1.26 -4.96 105.19 111.67 2jg1 n GLY 291 Ca -0.15 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.14 -0.49 0.01 1.61 5.04 -1.26 -4.43 117.35 114.68 2jg1 s TYR 292 Ca 0.14 1.11 0.05 0.00 -2.44 0.00 0.00 57.07 55.93 2jg1 s TYR 292 Cb -0.02 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.46 2jg1 s TYR 292 CO 0.28 -0.27 -0.14 0.14 -1.34 0.00 0.00 175.55 174.21 2jg1 s VAL 293 N 0.92 1.10 -0.45 3.14 -7.23 -1.26 -3.71 120.40 112.91 2jg1 s VAL 293 Ca -0.06 -0.77 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 2jg1 s VAL 293 Cb -0.06 -0.95 0.07 0.00 0.56 0.00 0.00 36.38 35.99 2jg1 s VAL 293 CO -0.07 0.17 0.34 0.21 -0.31 0.00 0.00 175.10 175.44 2jg1 s ASN 294 N -0.68 5.98 0.23 4.85 3.84 -1.26 -4.96 114.94 122.94 2jg1 s ASN 294 Ca 0.04 -1.32 0.25 0.00 0.21 0.00 0.00 52.86 52.03 2jg1 s ASN 294 Cb -0.06 -2.12 0.89 0.00 -0.55 0.00 0.00 41.25 39.41 2jg1 s ASN 294 CO 0.00 -0.59 1.75 0.18 -2.79 0.00 0.00 177.10 175.65 2jg1 n LEU 295 N 5.11 0.74 0.33 3.21 4.77 -1.26 -2.38 117.00 127.52 2jg1 n LEU 295 Ca -0.12 0.62 0.18 0.00 -0.03 0.00 0.00 56.01 56.66 2jg1 n LEU 295 Cb 0.44 -0.44 0.94 0.00 -2.33 0.00 0.00 43.42 42.03 2jg1 n LEU 295 CO 0.44 -0.35 1.13 0.78 -1.33 0.00 0.00 177.39 178.06 2jg1 h ASN 296 N 0.00 0.00 -0.22 -1.43 2.35 -2.03 -1.11 115.58 113.14 2jg1 h ASN 296 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jg1 h ASN 296 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2jg1 h ASN 296 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 2jg1 n ASN 297 N -2.91 2.66 0.38 5.81 3.02 -1.00 -4.75 115.26 118.46 2jg1 n ASN 297 Ca -0.02 -1.78 -0.17 0.00 -0.03 0.00 0.00 54.58 52.57 2jg1 n ASN 297 Cb 0.26 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.21 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 2.75 -0.90 -0.97 3.10 3.20 -1.33 -3.10 116.97 119.73 2jg1 h TYR 298 Ca 0.00 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.91 2jg1 h TYR 298 Cb 0.69 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.20 2jg1 h TYR 298 CO 0.14 -0.53 0.63 -0.44 -1.64 0.00 0.00 178.16 176.31 2jg1 h ASP 299 N -1.09 1.00 -0.50 -2.11 3.32 -1.86 -0.81 116.42 114.37 2jg1 h ASP 299 Ca -0.10 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.00 2jg1 h ASP 299 Cb 0.76 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 2jg1 h ASP 299 CO 0.16 0.65 0.26 -0.78 -1.72 0.00 0.00 179.24 177.81 2jg1 h ASP 300 N 1.14 0.38 0.00 6.45 1.82 -1.88 -2.23 116.42 122.10 2jg1 h ASP 300 Ca 0.41 0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.92 2jg1 h ASP 300 Cb 0.16 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.13 2jg1 h ASP 300 CO -0.16 0.27 -0.64 -0.07 -1.61 0.00 0.00 179.24 177.03 2jg1 h LEU 301 N 0.51 0.56 -0.80 2.28 3.38 -1.36 -3.32 115.31 116.56 2jg1 h LEU 301 Ca 0.22 -0.76 0.16 0.00 0.09 0.00 0.00 57.88 57.58 2jg1 h LEU 301 Cb 0.11 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.59 2jg1 h LEU 301 CO -0.14 1.25 0.34 0.15 0.09 0.00 0.00 178.44 180.12 2jg1 h PHE 302 N -0.08 0.57 0.00 1.13 3.57 -1.04 -1.41 116.94 119.69 2jg1 h PHE 302 Ca -0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2jg1 h PHE 302 Cb 1.35 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2jg1 h PHE 302 CO 0.14 0.06 0.00 0.09 -2.23 0.00 0.00 178.31 176.37 2jg1 n ASN 303 N -4.99 0.10 0.04 0.41 3.02 -0.85 -2.78 115.26 110.20 2jg1 n ASN 303 Ca 0.16 0.52 0.11 0.00 -0.03 0.00 0.00 54.58 55.34 2jg1 n ASN 303 Cb 0.47 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2jg1 n ASN 303 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jg1 n GLN 304 N -1.60 0.40 -2.34 3.52 6.02 -0.54 -4.94 117.38 117.90 2jg1 n GLN 304 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 2jg1 n GLN 304 Cb 0.25 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 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 -3.27 3.81 -0.20 5.09 1.01 -1.12 -4.64 121.20 121.89 2jg1 s ILE 305 Ca 0.02 1.30 -0.07 0.00 0.00 0.00 0.00 60.65 61.89 2jg1 s ILE 305 Cb 0.13 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2jg1 s ILE 305 CO 0.81 0.09 0.06 -0.70 0.00 0.00 0.00 174.94 175.20 2jg1 s GLU 306 N 1.14 3.90 -0.11 2.79 2.12 -0.68 -5.00 118.70 122.86 2jg1 s GLU 306 Ca 0.61 -0.38 0.03 0.00 0.36 0.00 0.00 54.97 55.59 2jg1 s GLU 306 Cb -0.32 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 2jg1 s GLU 306 CO 0.29 0.18 -0.21 0.08 -0.54 0.00 0.00 175.26 175.05 2jg1 s VAL 307 N 0.63 2.25 -0.00 3.70 1.01 -1.26 -0.85 120.40 125.89 2jg1 s VAL 307 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2jg1 s VAL 307 Cb -0.13 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 2jg1 s VAL 307 CO 0.02 0.55 -0.01 -0.76 0.00 0.00 0.00 175.10 174.90 2jg1 s LEU 308 N 0.45 2.01 0.10 3.92 1.02 -0.99 -5.00 118.68 120.18 2jg1 s LEU 308 Ca -0.15 -0.03 -0.31 0.00 0.02 0.00 0.00 54.13 53.67 2jg1 s LEU 308 Cb -0.17 -0.04 -0.09 0.00 0.02 0.00 0.00 46.19 45.91 2jg1 s LEU 308 CO 0.06 0.00 1.76 -1.61 0.02 0.00 0.00 176.35 176.58 2jg1 s GLU 309 N -0.05 4.16 0.00 1.70 2.02 -1.26 -1.68 118.70 123.59 2jg1 s GLU 309 Ca -0.00 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.47 2jg1 s GLU 309 Cb -0.01 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.61 2jg1 s GLU 309 CO -0.00 -0.80 0.42 1.33 0.02 0.00 0.00 175.26 176.23