#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jj1 s LEU 17 N 0.00 4.28 -0.18 1.39 0.05 -1.26 -5.06 118.68 117.90 2jj1 s LEU 17 Ca 0.00 0.31 -0.29 0.00 0.05 0.00 0.00 54.13 54.19 2jj1 s LEU 17 Cb 0.00 -3.06 -0.01 0.00 -2.05 0.00 0.00 46.19 41.07 2jj1 s LEU 17 CO 0.00 0.01 1.28 -0.83 -0.55 0.00 0.00 176.35 176.26 2jj1 s GLY 18 N -3.12 1.60 0.45 -3.48 0.00 -1.26 -4.99 107.32 96.52 2jj1 s GLY 18 Ca 0.37 0.42 -0.25 0.00 0.00 0.00 0.00 44.72 45.26 2jj1 s GLY 18 CO 0.29 2.53 1.29 0.00 0.00 0.00 0.00 173.10 177.20 2jj1 n ALA 19 N 6.77 1.37 -2.16 3.20 0.00 -1.26 -4.91 120.51 123.53 2jj1 n ALA 19 Ca 0.14 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 2jj1 n ALA 19 Cb 0.45 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 2jj1 n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jj1 s ASP 20 N -0.61 6.34 -0.11 0.00 -1.08 -1.26 -4.88 116.67 115.07 2jj1 s ASP 20 Ca 0.63 1.45 0.15 0.00 -0.52 0.00 0.00 52.55 54.26 2jj1 s ASP 20 Cb -0.48 -2.53 0.47 0.00 -1.46 0.00 0.00 42.92 38.92 2jj1 s ASP 20 CO 0.56 -1.32 1.39 0.35 0.52 0.00 0.00 175.17 176.68 2jj1 n THR 21 N 6.59 1.81 0.48 1.71 -2.24 -1.26 -4.63 114.28 116.73 2jj1 n THR 21 Ca 0.19 -1.50 0.09 0.00 -2.27 0.00 0.00 64.05 60.56 2jj1 n THR 21 Cb 0.46 0.04 0.38 0.00 -2.10 0.00 0.00 70.33 69.11 2jj1 n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jj1 n SER 22 N 0.02 0.23 -0.14 3.42 3.41 -1.26 -3.36 113.62 115.93 2jj1 n SER 22 Ca 0.18 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.44 2jj1 n SER 22 Cb 0.74 -0.61 0.14 0.00 -0.26 0.00 0.00 64.21 64.22 2jj1 n SER 22 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2jj1 n VAL 23 N -1.76 1.83 -1.41 -3.33 0.31 -1.26 -4.98 118.33 107.74 2jj1 n VAL 23 Ca 0.03 -2.26 -0.38 0.00 -0.01 0.00 0.00 64.34 61.72 2jj1 n VAL 23 Cb 0.20 -0.20 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 2jj1 n VAL 23 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2jj1 n ASP 24 N -1.34 -1.59 0.00 4.52 5.75 -1.21 -4.80 116.55 117.87 2jj1 n ASP 24 Ca 0.16 0.70 0.12 0.00 -0.01 0.00 0.00 54.79 55.76 2jj1 n ASP 24 Cb 0.65 -1.11 0.73 0.00 -1.03 0.00 0.00 41.12 40.36 2jj1 n ASP 24 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2jj1 n LEU 25 N 0.84 0.00 -0.04 -2.12 4.77 -1.26 -3.36 117.00 115.83 2jj1 n LEU 25 Ca 0.11 0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.91 2jj1 n LEU 25 Cb 0.48 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 2jj1 n LEU 25 CO 0.51 -0.00 0.02 -0.33 -1.33 0.00 0.00 177.39 176.26 2jj1 h GLU 26 N 0.00 0.11 -0.20 3.23 5.08 -1.93 -1.14 114.58 119.72 2jj1 h GLU 26 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2jj1 h GLU 26 Cb 0.01 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2jj1 h GLU 26 CO 0.00 1.09 0.00 0.39 -1.00 0.00 0.00 179.01 179.49 2jj1 n GLU 27 N -4.36 2.34 -3.93 2.33 -0.58 -1.24 -0.51 120.64 114.70 2jj1 n GLU 27 Ca -0.17 -2.07 -0.09 0.00 -0.42 0.00 0.00 57.16 54.41 2jj1 n GLU 27 Cb 0.66 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 30.02 2jj1 n GLU 27 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2jj1 s THR 28 N -1.70 0.00 0.36 2.62 -4.23 -1.21 -2.41 115.64 109.07 2jj1 s THR 28 Ca 0.32 -1.22 -0.09 0.00 -1.18 0.00 0.00 61.69 59.53 2jj1 s THR 28 Cb 0.21 -2.06 0.03 0.00 1.34 0.00 0.00 72.50 72.01 2jj1 s THR 28 CO 0.30 -0.02 0.62 -0.83 -0.54 0.00 0.00 174.62 174.15 2jj1 s GLY 29 N -2.97 0.94 -0.05 3.99 0.00 -0.55 -1.08 107.32 107.59 2jj1 s GLY 29 Ca 0.18 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.78 2jj1 s GLY 29 CO 0.07 -0.67 -0.12 0.50 0.00 0.00 0.00 173.10 172.88 2jj1 s ARG 30 N -2.76 1.56 -0.16 2.90 0.52 -0.09 -1.65 118.95 119.27 2jj1 s ARG 30 Ca 0.23 -0.42 -0.32 0.00 -0.52 0.00 0.00 55.73 54.70 2jj1 s ARG 30 Cb -0.03 -1.33 -0.10 0.00 0.52 0.00 0.00 34.95 34.02 2jj1 s ARG 30 CO 0.16 0.08 2.04 0.28 0.02 0.00 0.00 175.30 177.87 2jj1 n VAL 31 N 3.61 0.47 0.08 3.52 0.31 -0.59 -0.57 118.33 125.15 2jj1 n VAL 31 Ca -0.21 -0.23 -0.21 0.00 -0.01 0.00 0.00 64.34 63.68 2jj1 n VAL 31 Cb 0.52 -2.05 -0.15 0.00 -0.91 0.00 0.00 33.84 31.26 2jj1 n VAL 31 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2jj1 h LEU 32 N 11.42 0.57 -7.21 7.52 3.38 -1.23 0.29 115.31 130.05 2jj1 h LEU 32 Ca -0.43 -0.95 -0.09 0.00 0.09 0.00 0.00 57.88 56.51 2jj1 h LEU 32 Cb 1.27 -0.19 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 2jj1 h LEU 32 CO 0.96 1.48 -0.06 -0.94 0.09 0.00 0.00 178.44 179.98 2jj1 s SER 33 N -7.14 -0.51 -0.05 -0.43 1.04 -1.15 -4.77 113.70 100.69 2jj1 s SER 33 Ca -0.12 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.12 2jj1 s SER 33 Cb 0.02 0.81 0.01 0.00 0.10 0.00 0.00 66.02 66.96 2jj1 s SER 33 CO 0.86 -0.34 -0.09 -0.51 0.98 0.00 0.00 173.24 174.14 2jj1 s ILE 34 N -0.38 0.88 -0.26 -1.02 1.10 -1.26 -0.92 121.20 119.33 2jj1 s ILE 34 Ca -0.05 -0.35 -0.22 0.00 -0.51 0.00 0.00 60.65 59.52 2jj1 s ILE 34 Cb -0.03 -0.82 0.07 0.00 0.15 0.00 0.00 42.46 41.83 2jj1 s ILE 34 CO 0.04 0.29 0.69 -0.83 -2.11 0.00 0.00 174.94 173.02 2jj1 s GLY 35 N 0.61 -0.54 -1.83 1.50 0.00 -0.80 -4.99 107.32 101.26 2jj1 s GLY 35 Ca -0.11 2.05 -0.22 0.00 0.00 0.00 0.00 44.72 46.44 2jj1 s GLY 35 CO 0.02 1.84 0.60 1.22 0.00 0.00 0.00 173.10 176.78 2jj1 n ASP 36 N 3.08 -1.94 0.00 1.64 8.00 -1.26 0.42 116.55 126.49 2jj1 n ASP 36 Ca -0.15 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.14 2jj1 n ASP 36 Cb 0.56 -1.82 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 2jj1 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jj1 n GLY 37 N -1.21 0.75 3.40 0.44 0.00 -1.26 -5.00 105.19 102.31 2jj1 n GLY 37 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2jj1 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj1 s ILE 38 N -3.04 4.47 -0.31 -0.61 -1.09 0.17 -1.02 121.20 119.78 2jj1 s ILE 38 Ca 0.00 -0.60 -0.09 0.00 -2.23 0.00 0.00 60.65 57.73 2jj1 s ILE 38 Cb 0.00 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 2jj1 s ILE 38 CO 0.00 -0.02 0.14 0.00 -1.23 0.00 0.00 174.94 173.84 2jj1 s ALA 39 N 1.57 3.26 0.01 9.38 0.00 0.62 -1.91 121.76 134.70 2jj1 s ALA 39 Ca 0.03 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.36 2jj1 s ALA 39 Cb -0.18 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2jj1 s ALA 39 CO 0.06 -0.87 0.83 1.03 0.00 0.00 0.00 175.76 176.80 2jj1 s ARG 40 N 1.61 4.52 -0.08 0.00 1.81 -0.10 -1.51 118.95 125.20 2jj1 s ARG 40 Ca 0.05 1.16 0.01 0.00 -1.72 0.00 0.00 55.73 55.23 2jj1 s ARG 40 Cb -0.17 -3.41 0.02 0.00 -0.45 0.00 0.00 34.95 30.94 2jj1 s ARG 40 CO 0.06 0.12 -0.08 0.08 -0.68 0.00 0.00 175.30 174.81 2jj1 s VAL 41 N 0.47 0.90 0.35 3.52 1.01 -0.77 -0.65 120.40 125.23 2jj1 s VAL 41 Ca 0.43 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 2jj1 s VAL 41 Cb -0.20 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 2jj1 s VAL 41 CO 0.24 0.32 1.07 -2.28 0.00 0.00 0.00 175.10 174.46 2jj1 s HIS 42 N 1.22 3.38 0.00 5.22 2.46 0.26 -0.91 115.29 126.93 2jj1 s HIS 42 Ca -0.05 1.66 0.00 0.00 0.47 0.00 0.00 55.06 57.15 2jj1 s HIS 42 Cb -0.14 -3.20 0.00 0.00 -0.13 0.00 0.00 32.58 29.11 2jj1 s HIS 42 CO -0.02 -0.63 0.00 0.41 -2.47 0.00 0.00 174.74 172.03 2jj1 n GLY 43 N 0.71 0.30 3.92 1.59 0.00 -1.26 -0.91 105.19 109.54 2jj1 n GLY 43 Ca 0.03 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 2jj1 n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jj1 n LEU 44 N 0.00 -2.45 0.02 0.99 4.77 -0.24 -4.79 117.00 115.30 2jj1 n LEU 44 Ca 0.00 -0.92 0.20 0.00 -0.03 0.00 0.00 56.01 55.26 2jj1 n LEU 44 Cb 0.00 -2.38 0.70 0.00 -2.33 0.00 0.00 43.42 39.41 2jj1 n LEU 44 CO 0.00 0.41 1.18 0.03 -1.33 0.00 0.00 177.39 177.69 2jj1 h ARG 45 N -1.84 0.00 -0.56 3.23 2.47 -0.87 -2.33 114.38 114.47 2jj1 h ARG 45 Ca -0.61 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 2jj1 h ARG 45 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2jj1 h ARG 45 CO 0.64 0.00 0.00 0.09 0.56 0.00 0.00 179.97 181.26 2jj1 n ASN 46 N -4.30 3.55 -4.74 7.04 3.02 0.34 -4.99 115.26 115.18 2jj1 n ASN 46 Ca 0.09 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.31 2jj1 n ASN 46 Cb 0.60 -0.37 0.07 0.00 -0.61 0.00 0.00 39.78 39.46 2jj1 n ASN 46 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2jj1 s VAL 47 N -1.07 2.55 0.13 2.41 -7.23 -0.88 -5.03 120.40 111.28 2jj1 s VAL 47 Ca 0.40 0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.84 2jj1 s VAL 47 Cb 0.21 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2jj1 s VAL 47 CO 0.28 -0.13 0.31 -1.10 -0.31 0.00 0.00 175.10 174.14 2jj1 s GLN 48 N -3.81 3.50 0.24 4.82 -0.21 -1.26 -5.05 119.66 117.89 2jj1 s GLN 48 Ca 0.74 -0.35 -0.31 0.00 0.02 0.00 0.00 55.36 55.46 2jj1 s GLN 48 Cb -0.28 -2.93 -0.11 0.00 1.00 0.00 0.00 33.01 30.69 2jj1 s GLN 48 CO 0.42 0.51 1.63 0.00 -2.12 0.00 0.00 175.29 175.72 2jj1 s ALA 49 N -1.67 3.82 0.00 6.09 0.00 -1.26 -2.08 121.76 126.65 2jj1 s ALA 49 Ca 0.37 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2jj1 s ALA 49 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2jj1 s ALA 49 CO 0.27 -0.91 0.00 0.39 0.00 0.00 0.00 175.76 175.52 2jj1 n GLU 50 N 3.18 -0.31 -2.38 0.00 1.02 0.12 -4.98 120.64 117.29 2jj1 n GLU 50 Ca 0.12 0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 56.94 2jj1 n GLU 50 Cb 0.37 -3.30 -0.04 0.00 -0.02 0.00 0.00 31.44 28.46 2jj1 n GLU 50 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2jj1 s GLU 51 N -0.38 4.48 0.08 3.49 2.12 -0.89 -2.61 118.70 125.00 2jj1 s GLU 51 Ca 0.00 1.88 -0.30 0.00 0.36 0.00 0.00 54.97 56.91 2jj1 s GLU 51 Cb 0.00 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 2jj1 s GLU 51 CO 0.00 0.04 0.96 1.41 -0.54 0.00 0.00 175.26 177.14 2jj1 s MET 52 N -1.69 4.67 0.28 4.30 -2.45 0.26 -1.04 119.30 123.63 2jj1 s MET 52 Ca 0.48 1.44 0.10 0.00 -1.25 0.00 0.00 55.69 56.46 2jj1 s MET 52 Cb -0.33 -3.40 -0.05 0.00 1.25 0.00 0.00 34.83 32.30 2jj1 s MET 52 CO 0.42 0.15 -0.14 0.14 1.05 0.00 0.00 175.02 176.64 2jj1 s VAL 53 N 0.23 2.18 -0.11 10.11 -7.23 0.10 -2.18 120.40 123.49 2jj1 s VAL 53 Ca 0.48 -2.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 2jj1 s VAL 53 Cb -0.23 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.35 2jj1 s VAL 53 CO 0.29 -0.36 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.92 2jj1 s GLU 54 N -3.59 2.59 0.53 4.82 2.02 0.11 -1.23 118.70 123.95 2jj1 s GLU 54 Ca 0.29 -0.70 -0.08 0.00 0.02 0.00 0.00 54.97 54.50 2jj1 s GLU 54 Cb -0.01 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2jj1 s GLU 54 CO 0.14 0.00 0.89 -0.06 0.02 0.00 0.00 175.26 176.24 2jj1 s PHE 55 N 0.79 3.58 0.31 1.61 0.40 -0.27 0.73 117.98 125.14 2jj1 s PHE 55 Ca -0.09 1.04 0.02 0.00 -0.60 0.00 0.00 56.93 57.30 2jj1 s PHE 55 Cb -0.16 -2.49 0.60 0.00 0.51 0.00 0.00 43.02 41.47 2jj1 s PHE 55 CO 0.00 -0.43 1.90 0.66 0.70 0.00 0.00 175.22 178.06 2jj1 h SER 56 N 0.13 0.85 0.00 1.36 4.64 -1.72 -2.35 113.55 116.46 2jj1 h SER 56 Ca -0.46 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jj1 h SER 56 Cb 1.20 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2jj1 h SER 56 CO 0.62 0.52 0.00 -1.54 -0.87 0.00 0.00 176.83 175.56 2jj1 n SER 57 N -4.51 0.00 0.00 4.97 3.41 -1.26 -4.83 113.62 111.39 2jj1 n SER 57 Ca 0.15 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 2jj1 n SER 57 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2jj1 n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jj1 n GLY 58 N 0.18 1.11 3.76 5.00 0.00 -0.88 -5.05 105.19 109.31 2jj1 n GLY 58 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2jj1 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jj1 s LEU 59 N 0.00 4.48 0.25 0.99 1.43 -1.26 -4.87 118.68 119.70 2jj1 s LEU 59 Ca 0.00 2.44 -0.00 0.00 -1.03 0.00 0.00 54.13 55.54 2jj1 s LEU 59 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 2jj1 s LEU 59 CO 0.00 -0.35 0.44 -0.54 0.23 0.00 0.00 176.35 176.13 2jj1 s LYS 60 N -1.34 3.51 0.18 1.70 1.02 -1.26 -1.11 119.74 122.45 2jj1 s LYS 60 Ca 0.48 -0.35 -0.10 0.00 0.02 0.00 0.00 55.97 56.02 2jj1 s LYS 60 Cb -0.35 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 2jj1 s LYS 60 CO 0.45 0.32 0.33 0.20 -0.92 0.00 0.00 175.35 175.73 2jj1 s GLY 61 N -3.47 0.47 -0.08 -3.33 0.00 -0.37 -1.46 107.32 99.09 2jj1 s GLY 61 Ca 0.39 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 44.30 2jj1 s GLY 61 CO 0.31 -0.77 -0.21 -0.29 0.00 0.00 0.00 173.10 172.14 2jj1 s MET 62 N -3.97 2.47 -0.17 2.90 1.75 -0.78 0.00 119.30 121.50 2jj1 s MET 62 Ca 0.18 -0.74 -0.28 0.00 -1.25 0.00 0.00 55.69 53.60 2jj1 s MET 62 Cb 0.02 -1.97 -0.00 0.00 2.84 0.00 0.00 34.83 35.73 2jj1 s MET 62 CO 0.01 0.19 0.98 -1.12 -0.65 0.00 0.00 175.02 174.44 2jj1 s SER 63 N 0.28 7.12 0.00 1.11 0.01 -0.20 -1.38 113.70 120.63 2jj1 s SER 63 Ca -0.13 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2jj1 s SER 63 Cb -0.16 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2jj1 s SER 63 CO 0.06 -0.53 0.00 0.18 0.41 0.00 0.00 173.24 173.36 2jj1 n LEU 64 N 5.61 0.72 -4.28 2.44 4.77 -0.26 0.16 117.00 126.16 2jj1 n LEU 64 Ca 0.09 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.70 2jj1 n LEU 64 Cb 0.48 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 2jj1 n LEU 64 CO 0.51 0.12 -0.28 0.20 -1.33 0.00 0.00 177.39 176.61 2jj1 s ASN 65 N -2.99 5.16 -0.34 -1.43 -0.87 -0.89 -4.86 114.94 108.72 2jj1 s ASN 65 Ca 0.00 -1.01 -0.12 0.00 -1.57 0.00 0.00 52.86 50.15 2jj1 s ASN 65 Cb 0.00 -1.85 -0.01 0.00 -0.02 0.00 0.00 41.25 39.37 2jj1 s ASN 65 CO 0.00 -0.27 0.23 -0.76 -2.57 0.00 0.00 177.10 173.73 2jj1 s LEU 66 N 1.41 4.49 0.32 0.60 1.43 -1.26 0.17 118.68 125.84 2jj1 s LEU 66 Ca -0.01 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2jj1 s LEU 66 Cb -0.19 -2.12 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 2jj1 s LEU 66 CO 0.02 -0.24 -0.09 -1.61 0.23 0.00 0.00 176.35 174.66 2jj1 s GLU 67 N 1.70 1.74 0.41 1.70 2.02 -0.36 -5.00 118.70 120.92 2jj1 s GLU 67 Ca 0.06 -1.89 0.15 0.00 0.02 0.00 0.00 54.97 53.31 2jj1 s GLU 67 Cb -0.17 -1.56 1.03 0.00 0.10 0.00 0.00 34.13 33.53 2jj1 s GLU 67 CO 0.10 0.12 1.89 -1.35 0.02 0.00 0.00 175.26 176.03 2jj1 h PRO 68 N 2.10 0.44 0.00 0.39 0.11 -2.03 -3.22 132.00 129.79 2jj1 h PRO 68 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jj1 h PRO 68 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jj1 h PRO 68 CO 0.69 0.29 -0.09 -0.40 -0.21 0.00 0.00 178.00 178.28 2jj1 n ASP 69 N -4.50 0.47 -4.32 -2.05 5.68 -1.26 -5.08 116.55 105.50 2jj1 n ASP 69 Ca 0.17 -0.33 -0.16 0.00 -0.50 0.00 0.00 54.79 53.96 2jj1 n ASP 69 Cb 0.58 0.76 -0.10 0.00 -1.14 0.00 0.00 41.12 41.22 2jj1 n ASP 69 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2jj1 s ASN 70 N -0.85 1.56 -0.17 -1.12 2.20 -1.22 -4.52 114.94 110.82 2jj1 s ASN 70 Ca 0.00 -1.27 0.01 0.00 -0.94 0.00 0.00 52.86 50.66 2jj1 s ASN 70 Cb 0.00 0.07 0.02 0.00 -2.00 0.00 0.00 41.25 39.34 2jj1 s ASN 70 CO 0.00 -0.59 -0.18 -0.69 -2.94 0.00 0.00 177.10 172.69 2jj1 s VAL 71 N -3.56 1.92 -0.44 3.54 1.01 -0.08 -1.22 120.40 121.57 2jj1 s VAL 71 Ca 0.31 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2jj1 s VAL 71 Cb 0.07 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.71 2jj1 s VAL 71 CO 0.10 0.52 1.37 -0.83 0.00 0.00 0.00 175.10 176.25 2jj1 s GLY 72 N 1.34 1.10 -0.10 4.51 0.00 0.44 -1.86 107.32 112.76 2jj1 s GLY 72 Ca 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.52 2jj1 s GLY 72 CO -0.12 2.71 -0.18 0.14 0.00 0.00 0.00 173.10 175.65 2jj1 s VAL 73 N 5.34 2.60 -0.21 1.40 1.01 -0.57 -1.10 120.40 128.87 2jj1 s VAL 73 Ca 0.58 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 2jj1 s VAL 73 Cb -0.12 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2jj1 s VAL 73 CO 0.32 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.39 2jj1 s VAL 74 N 0.08 5.01 -0.26 2.92 1.01 -0.48 -0.28 120.40 128.41 2jj1 s VAL 74 Ca -0.08 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 2jj1 s VAL 74 Cb -0.15 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2jj1 s VAL 74 CO 0.05 0.40 0.70 -0.69 0.00 0.00 0.00 175.10 175.56 2jj1 s VAL 75 N 0.79 4.93 0.00 2.92 1.01 -0.19 -1.87 120.40 127.99 2jj1 s VAL 75 Ca 0.06 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2jj1 s VAL 75 Cb -0.13 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2jj1 s VAL 75 CO 0.02 -0.03 1.61 0.49 0.00 0.00 0.00 175.10 177.20 2jj1 n PHE 76 N 5.84 0.00 -2.93 5.22 0.99 -0.53 -4.62 117.46 121.42 2jj1 n PHE 76 Ca 0.02 -0.81 0.00 0.00 -0.00 0.00 0.00 57.45 56.66 2jj1 n PHE 76 Cb 0.48 -0.42 0.00 0.00 -1.00 0.00 0.00 39.48 38.54 2jj1 n PHE 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2jj1 n GLY 77 N 1.30 0.81 3.70 1.37 0.00 -1.26 -4.74 105.19 106.36 2jj1 n GLY 77 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2jj1 n GLY 77 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jj1 s ASN 78 N 2.00 6.78 0.06 1.61 3.84 -1.26 -4.74 114.94 123.22 2jj1 s ASN 78 Ca 0.00 2.27 0.28 0.00 0.21 0.00 0.00 52.86 55.62 2jj1 s ASN 78 Cb 0.00 -2.57 1.10 0.00 -0.55 0.00 0.00 41.25 39.23 2jj1 s ASN 78 CO 0.00 -0.74 1.87 -0.90 -2.79 0.00 0.00 177.10 174.54 2jj1 n ASP 79 N 4.99 0.23 -0.29 -4.21 3.85 -1.26 -4.30 116.55 115.55 2jj1 n ASP 79 Ca 0.13 0.50 0.14 0.00 -0.71 0.00 0.00 54.79 54.86 2jj1 n ASP 79 Cb 0.42 -0.56 0.39 0.00 -1.35 0.00 0.00 41.12 40.03 2jj1 n ASP 79 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 2jj1 h LYS 80 N 0.00 0.63 0.00 0.11 2.10 -2.02 -1.92 116.57 115.47 2jj1 h LYS 80 Ca 0.00 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 2jj1 h LYS 80 Cb 0.57 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2jj1 h LYS 80 CO 0.00 0.42 -0.32 -0.07 -2.00 0.00 0.00 179.45 177.48 2jj1 h LEU 81 N 0.65 0.00 -9.56 7.07 3.38 -2.01 -3.44 115.31 111.41 2jj1 h LEU 81 Ca 0.50 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.94 2jj1 h LEU 81 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2jj1 h LEU 81 CO -0.25 0.32 0.47 -0.63 0.09 0.00 0.00 178.44 178.44 2jj1 s ILE 82 N -3.44 4.15 0.10 1.22 1.01 -0.72 -4.95 121.20 118.56 2jj1 s ILE 82 Ca 0.02 1.69 0.03 0.00 0.00 0.00 0.00 60.65 62.39 2jj1 s ILE 82 Cb 0.09 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2jj1 s ILE 82 CO 0.68 0.22 -0.09 -0.54 0.00 0.00 0.00 174.94 175.20 2jj1 s LYS 83 N 0.32 0.86 0.21 2.79 1.02 -1.26 -4.93 119.74 118.74 2jj1 s LYS 83 Ca 0.52 -1.24 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 2jj1 s LYS 83 Cb -0.27 -0.42 -0.15 0.00 -0.52 0.00 0.00 37.83 36.47 2jj1 s LYS 83 CO 0.31 0.04 1.13 -1.91 -0.92 0.00 0.00 175.35 174.01 2jj1 n GLU 84 N 0.28 1.27 -0.31 1.68 2.13 -1.26 -1.80 120.64 122.63 2jj1 n GLU 84 Ca -0.14 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2jj1 n GLU 84 Cb 0.59 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.38 2jj1 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jj1 n GLY 85 N 1.81 1.64 3.76 8.31 0.00 0.10 -4.95 105.19 115.85 2jj1 n GLY 85 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2jj1 n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jj1 s ASP 86 N -3.27 5.51 0.00 1.61 -0.00 -0.74 -4.57 116.67 115.20 2jj1 s ASP 86 Ca 0.00 2.81 -0.26 0.00 -0.00 0.00 0.00 52.55 55.11 2jj1 s ASP 86 Cb 0.00 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.23 2jj1 s ASP 86 CO 0.00 -1.41 0.79 -0.63 -0.00 0.00 0.00 175.17 173.92 2jj1 s ILE 87 N -1.27 4.86 -0.12 0.77 1.01 -1.26 -1.54 121.20 123.65 2jj1 s ILE 87 Ca 0.68 1.67 0.01 0.00 0.00 0.00 0.00 60.65 63.00 2jj1 s ILE 87 Cb -0.41 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 2jj1 s ILE 87 CO 0.51 0.28 -0.15 -0.69 0.00 0.00 0.00 174.94 174.89 2jj1 s VAL 88 N 0.45 2.90 -0.05 2.92 1.01 -0.66 -2.00 120.40 124.96 2jj1 s VAL 88 Ca 0.41 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2jj1 s VAL 88 Cb -0.20 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2jj1 s VAL 88 CO 0.23 0.53 -0.06 -0.54 0.00 0.00 0.00 175.10 175.26 2jj1 s LYS 89 N 0.30 2.72 0.37 2.72 1.02 0.22 -1.48 119.74 125.62 2jj1 s LYS 89 Ca -0.11 -0.58 -0.26 0.00 0.02 0.00 0.00 55.97 55.04 2jj1 s LYS 89 Cb -0.16 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 2jj1 s LYS 89 CO 0.06 0.65 1.19 1.03 -0.92 0.00 0.00 175.35 177.36 2jj1 s ARG 90 N -0.96 4.19 -0.01 1.68 0.52 -1.01 0.08 118.95 123.45 2jj1 s ARG 90 Ca 0.14 1.91 0.21 0.00 -0.52 0.00 0.00 55.73 57.46 2jj1 s ARG 90 Cb -0.11 -2.82 -0.25 0.00 0.52 0.00 0.00 34.95 32.29 2jj1 s ARG 90 CO 0.03 -0.22 0.80 2.41 0.02 0.00 0.00 175.30 178.34 2jj1 n THR 91 N 0.37 0.00 -0.10 0.02 -1.04 -0.93 -4.84 114.28 107.76 2jj1 n THR 91 Ca 0.03 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2jj1 n THR 91 Cb 0.45 0.79 0.00 0.00 -1.82 0.00 0.00 70.33 69.76 2jj1 n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jj1 n GLY 92 N 1.45 1.62 3.30 3.41 0.00 -1.26 -4.98 105.19 108.73 2jj1 n GLY 92 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2jj1 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jj1 s ALA 93 N -2.25 2.51 0.48 4.61 0.00 -1.26 -4.99 121.76 120.86 2jj1 s ALA 93 Ca 0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 2jj1 s ALA 93 Cb 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 2jj1 s ALA 93 CO 0.00 0.10 0.93 -0.89 0.00 0.00 0.00 175.76 175.90 2jj1 n ILE 94 N 3.81 2.69 -1.68 0.00 2.08 -1.26 -0.57 119.36 124.42 2jj1 n ILE 94 Ca -0.19 -0.50 -0.45 0.00 0.56 0.00 0.00 62.75 62.17 2jj1 n ILE 94 Cb 0.52 -1.08 -0.03 0.00 -0.75 0.00 0.00 39.64 38.29 2jj1 n ILE 94 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2jj1 n VAL 95 N -0.92 0.37 -4.24 1.39 0.31 -1.07 -4.75 118.33 109.41 2jj1 n VAL 95 Ca 0.11 -0.09 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 2jj1 n VAL 95 Cb 0.42 -1.59 -0.10 0.00 -0.91 0.00 0.00 33.84 31.66 2jj1 n VAL 95 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2jj1 s ASP 96 N 0.71 0.60 0.07 4.52 1.47 -1.26 -2.42 116.67 120.37 2jj1 s ASP 96 Ca 0.74 -1.37 0.02 0.00 1.18 0.00 0.00 52.55 53.12 2jj1 s ASP 96 Cb -0.64 0.28 -0.03 0.00 -0.34 0.00 0.00 42.92 42.19 2jj1 s ASP 96 CO 0.42 -0.78 -0.07 0.68 0.68 0.00 0.00 175.17 176.10 2jj1 s VAL 97 N -3.98 0.62 0.84 2.11 -7.23 0.33 -4.86 120.40 108.23 2jj1 s VAL 97 Ca 0.37 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.83 2jj1 s VAL 97 Cb 0.07 -1.24 0.10 0.00 0.56 0.00 0.00 36.38 35.87 2jj1 s VAL 97 CO 0.12 -0.67 1.14 -0.81 -0.31 0.00 0.00 175.10 174.56 2jj1 n PRO 98 N 0.57 -0.01 -3.51 4.82 -0.04 -1.26 -1.75 135.00 133.82 2jj1 n PRO 98 Ca -0.17 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.20 2jj1 n PRO 98 Cb 0.58 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 2jj1 n PRO 98 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jj1 s VAL 99 N -2.26 0.00 -3.30 0.52 1.01 -0.83 -4.75 120.40 110.79 2jj1 s VAL 99 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2jj1 s VAL 99 Cb -0.27 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2jj1 s VAL 99 CO 0.54 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2jj1 n GLY 100 N 0.72 0.90 0.05 4.51 0.00 -1.26 -3.84 105.19 106.27 2jj1 n GLY 100 Ca -0.18 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 43.90 2jj1 n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jj1 n GLU 101 N -1.11 0.13 0.23 1.61 1.02 -1.26 -3.06 120.64 118.20 2jj1 n GLU 101 Ca 0.00 0.10 0.16 0.00 -0.02 0.00 0.00 57.16 57.40 2jj1 n GLU 101 Cb 0.00 -1.64 0.82 0.00 -0.02 0.00 0.00 31.44 30.60 2jj1 n GLU 101 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jj1 h GLU 102 N 0.00 0.00 0.00 3.49 3.07 -1.93 -2.80 114.58 116.40 2jj1 h GLU 102 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jj1 h GLU 102 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2jj1 h GLU 102 CO 0.00 0.00 -0.39 1.28 -1.40 0.00 0.00 179.01 178.50 2jj1 n LEU 103 N -2.61 0.54 -4.69 1.33 4.77 -1.17 -4.70 117.00 110.46 2jj1 n LEU 103 Ca -0.02 0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 2jj1 n LEU 103 Cb 0.08 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2jj1 n LEU 103 CO 0.16 -0.02 1.17 -0.76 -1.33 0.00 0.00 177.39 176.61 2jj1 s LEU 104 N -3.73 4.34 0.00 2.23 1.43 -1.06 -2.39 118.68 119.50 2jj1 s LEU 104 Ca 0.10 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 2jj1 s LEU 104 Cb 0.15 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2jj1 s LEU 104 CO 0.66 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2jj1 n GLY 105 N 3.71 0.78 3.79 -3.19 0.00 0.19 -4.88 105.19 105.59 2jj1 n GLY 105 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2jj1 n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jj1 s ARG 106 N -0.44 2.88 -0.21 1.61 1.81 -1.01 -4.89 118.95 118.70 2jj1 s ARG 106 Ca 0.00 -0.91 -0.03 0.00 -1.72 0.00 0.00 55.73 53.08 2jj1 s ARG 106 Cb 0.00 -2.62 -0.00 0.00 -0.45 0.00 0.00 34.95 31.88 2jj1 s ARG 106 CO 0.00 0.47 -0.08 0.08 -0.68 0.00 0.00 175.30 175.10 2jj1 s VAL 107 N -1.80 3.09 0.31 3.52 1.01 -1.26 -2.25 120.40 123.03 2jj1 s VAL 107 Ca 0.31 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.80 2jj1 s VAL 107 Cb -0.10 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 2jj1 s VAL 107 CO 0.23 0.45 -0.12 0.68 0.00 0.00 0.00 175.10 176.35 2jj1 s VAL 108 N 1.43 2.18 0.00 2.92 -7.23 -0.29 -0.51 120.40 118.90 2jj1 s VAL 108 Ca 0.06 -2.24 -0.00 0.00 -1.81 0.00 0.00 61.98 57.99 2jj1 s VAL 108 Cb -0.14 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.28 2jj1 s VAL 108 CO -0.05 -0.28 0.00 -0.90 -0.31 0.00 0.00 175.10 173.56 2jj1 n ASP 109 N -0.71 0.00 0.26 4.85 3.85 -0.37 -1.09 116.55 123.34 2jj1 n ASP 109 Ca -0.05 -1.00 0.10 0.00 -0.71 0.00 0.00 54.79 53.13 2jj1 n ASP 109 Cb 0.63 -0.00 0.68 0.00 -1.35 0.00 0.00 41.12 41.08 2jj1 n ASP 109 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jj1 h ALA 110 N -0.81 1.54 -0.29 2.12 0.00 -1.86 -1.50 119.26 118.46 2jj1 h ALA 110 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jj1 h ALA 110 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jj1 h ALA 110 CO 0.00 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2jj1 n LEU 111 N -4.00 2.91 0.00 0.00 4.77 -1.26 -4.72 117.00 114.71 2jj1 n LEU 111 Ca -0.02 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 2jj1 n LEU 111 Cb 0.19 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2jj1 n LEU 111 CO 0.32 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 2jj1 n GLY 112 N 1.39 0.59 3.76 -0.72 0.00 -0.56 -4.43 105.19 105.22 2jj1 n GLY 112 Ca 0.18 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 2jj1 n GLY 112 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jj1 s ASN 113 N -2.78 6.70 0.26 1.61 0.01 -1.26 -4.81 114.94 114.67 2jj1 s ASN 113 Ca 0.00 0.83 -0.30 0.00 -0.71 0.00 0.00 52.86 52.68 2jj1 s ASN 113 Cb 0.00 -2.26 -0.14 0.00 0.41 0.00 0.00 41.25 39.26 2jj1 s ASN 113 CO 0.00 0.12 1.23 0.00 -1.51 0.00 0.00 177.10 176.94 2jj1 n ALA 114 N 3.04 0.40 -0.77 0.60 0.00 -1.26 -1.24 120.51 121.27 2jj1 n ALA 114 Ca -0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2jj1 n ALA 114 Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2jj1 n ALA 114 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2jj1 n ILE 115 N 1.10 0.17 1.05 0.00 -5.35 0.33 -4.81 119.36 111.86 2jj1 n ILE 115 Ca 0.11 -0.20 0.12 0.00 -0.27 0.00 0.00 62.75 62.51 2jj1 n ILE 115 Cb 0.31 1.11 0.31 0.00 -1.74 0.00 0.00 39.64 39.62 2jj1 n ILE 115 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2jj1 n ASP 116 N -0.09 2.35 -1.06 7.28 5.68 -1.21 -4.96 116.55 124.54 2jj1 n ASP 116 Ca 0.00 -1.79 -0.06 0.00 -0.50 0.00 0.00 54.79 52.44 2jj1 n ASP 116 Cb 0.38 -0.08 0.01 0.00 -1.14 0.00 0.00 41.12 40.29 2jj1 n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jj1 n GLY 117 N 1.28 0.35 0.12 6.12 0.00 -1.26 -4.95 105.19 106.85 2jj1 n GLY 117 Ca 0.17 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.75 2jj1 n GLY 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jj1 n LYS 118 N -1.69 1.27 0.00 1.61 5.02 -1.26 -5.13 118.16 117.99 2jj1 n LYS 118 Ca -0.03 -2.15 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 2jj1 n LYS 118 Cb 0.53 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2jj1 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jj1 n GLY 119 N -1.06 -0.94 3.58 0.72 0.00 -1.26 -4.96 105.19 101.27 2jj1 n GLY 119 Ca 0.11 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 2jj1 n GLY 119 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jj1 n PRO 120 N -0.83 1.02 -2.67 1.61 -0.02 -1.26 -4.75 135.00 128.09 2jj1 n PRO 120 Ca 0.00 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 2jj1 n PRO 120 Cb 0.00 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2jj1 n PRO 120 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jj1 s ILE 121 N -1.44 4.60 -0.46 4.25 -1.09 -1.26 -4.94 121.20 120.86 2jj1 s ILE 121 Ca 0.68 1.97 0.01 0.00 -2.23 0.00 0.00 60.65 61.08 2jj1 s ILE 121 Cb -0.49 -4.26 0.06 0.00 -1.58 0.00 0.00 42.46 36.19 2jj1 s ILE 121 CO 0.53 0.21 0.85 0.61 -1.23 0.00 0.00 174.94 175.92 2jj1 n GLY 122 N 2.68 1.93 3.74 6.18 0.00 -1.26 -4.95 105.19 113.51 2jj1 n GLY 122 Ca 0.05 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2jj1 n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jj1 n SER 123 N 0.22 3.77 -0.93 1.61 3.41 -1.26 -4.88 113.62 115.56 2jj1 n SER 123 Ca 0.04 1.15 0.12 0.00 -0.26 0.00 0.00 58.87 59.91 2jj1 n SER 123 Cb 0.47 -1.58 0.10 0.00 -0.26 0.00 0.00 64.21 62.93 2jj1 n SER 123 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jj1 n LYS 124 N 2.07 2.24 -4.02 4.33 5.02 -1.26 -4.98 118.16 121.56 2jj1 n LYS 124 Ca 0.08 -1.89 -0.08 0.00 -2.02 0.00 0.00 58.31 54.40 2jj1 n LYS 124 Cb 0.36 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 2jj1 n LYS 124 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jj1 s ALA 125 N -1.96 0.26 0.18 7.82 0.00 -1.25 -5.09 121.76 121.73 2jj1 s ALA 125 Ca 0.27 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2jj1 s ALA 125 Cb 0.20 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 2jj1 s ALA 125 CO 0.30 -0.33 -0.14 1.03 0.00 0.00 0.00 175.76 176.62 2jj1 s ARG 126 N -3.21 1.23 -0.19 0.00 0.52 -1.26 -1.97 118.95 114.07 2jj1 s ARG 126 Ca 0.00 -1.52 -0.13 0.00 -0.52 0.00 0.00 55.73 53.56 2jj1 s ARG 126 Cb 0.03 -0.99 0.06 0.00 0.52 0.00 0.00 34.95 34.56 2jj1 s ARG 126 CO -0.07 0.16 0.49 0.50 0.02 0.00 0.00 175.30 176.40 2jj1 s ARG 127 N -3.54 0.52 0.37 3.54 3.52 -0.72 -4.92 118.95 117.71 2jj1 s ARG 127 Ca 0.20 0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 56.35 2jj1 s ARG 127 Cb -0.01 0.12 -0.10 0.00 -1.56 0.00 0.00 34.95 33.40 2jj1 s ARG 127 CO 0.05 -0.12 1.32 1.03 -0.81 0.00 0.00 175.30 176.76 2jj1 s ARG 128 N 1.02 4.17 0.29 5.12 0.52 -1.26 -0.52 118.95 128.29 2jj1 s ARG 128 Ca -0.06 2.21 0.25 0.00 -0.52 0.00 0.00 55.73 57.62 2jj1 s ARG 128 Cb -0.06 -2.93 0.75 0.00 0.52 0.00 0.00 34.95 33.23 2jj1 s ARG 128 CO -0.09 -0.34 1.74 -0.39 0.02 0.00 0.00 175.30 176.24 2jj1 h VAL 129 N 2.78 0.00 -0.62 3.52 -1.51 -1.77 -3.32 116.25 115.34 2jj1 h VAL 129 Ca -0.49 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 2jj1 h VAL 129 Cb 1.24 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 2jj1 h VAL 129 CO 0.64 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.59 2jj1 n GLY 130 N 1.05 2.84 3.75 5.19 0.00 -1.26 -4.82 105.19 111.94 2jj1 n GLY 130 Ca 0.05 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2jj1 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jj1 s LEU 131 N -1.91 4.38 0.56 0.99 1.43 -1.25 -4.95 118.68 117.93 2jj1 s LEU 131 Ca 0.50 2.71 -0.19 0.00 -1.03 0.00 0.00 54.13 56.12 2jj1 s LEU 131 Cb 0.33 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.87 2jj1 s LEU 131 CO 0.23 -0.72 1.17 -0.75 0.23 0.00 0.00 176.35 176.51 2jj1 s LYS 132 N -0.53 3.21 0.56 1.70 2.20 -1.26 -4.99 119.74 120.64 2jj1 s LYS 132 Ca 0.59 1.72 -0.21 0.00 -0.36 0.00 0.00 55.97 57.71 2jj1 s LYS 132 Cb -0.42 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 2jj1 s LYS 132 CO 0.45 -0.99 1.35 0.00 -0.36 0.00 0.00 175.35 175.80 2jj1 s ALA 133 N -1.68 2.74 0.34 3.13 0.00 -1.26 -4.96 121.76 120.07 2jj1 s ALA 133 Ca 0.74 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.75 2jj1 s ALA 133 Cb -0.27 -3.57 -0.12 0.00 0.00 0.00 0.00 23.12 19.16 2jj1 s ALA 133 CO 0.30 -1.43 1.35 -0.35 0.00 0.00 0.00 175.76 175.63 2jj1 n PRO 134 N -1.19 2.26 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.77 2jj1 n PRO 134 Ca 0.11 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 2jj1 n PRO 134 Cb 0.45 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 2jj1 n PRO 134 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jj1 n GLY 135 N 0.82 -0.80 0.19 0.55 0.00 -1.26 -4.97 105.19 99.72 2jj1 n GLY 135 Ca 0.04 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 2jj1 n GLY 135 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jj1 h ILE 136 N -0.08 1.33 -0.02 -0.61 2.04 -1.98 -3.38 117.51 114.81 2jj1 h ILE 136 Ca 0.00 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 63.92 2jj1 h ILE 136 Cb 0.00 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2jj1 h ILE 136 CO 0.00 0.59 0.00 0.40 0.00 0.00 0.00 178.15 179.15 2jj1 h ILE 137 N 0.26 1.22 0.00 -0.67 1.08 -2.03 -3.16 117.51 114.22 2jj1 h ILE 137 Ca -0.05 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 2jj1 h ILE 137 Cb 1.30 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 2jj1 h ILE 137 CO 0.13 0.18 0.00 -2.65 -0.69 0.00 0.00 178.15 175.12 2jj1 n PRO 138 N -4.93 0.32 -2.89 2.37 -0.02 -1.26 -4.74 135.00 123.85 2jj1 n PRO 138 Ca -0.08 0.05 -0.19 0.00 -2.02 0.00 0.00 63.50 61.26 2jj1 n PRO 138 Cb 0.16 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.16 2jj1 n PRO 138 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jj1 s ARG 139 N -2.17 2.74 0.02 -0.52 0.52 -1.19 0.05 118.95 118.41 2jj1 s ARG 139 Ca 0.16 -0.99 -0.16 0.00 -0.52 0.00 0.00 55.73 54.23 2jj1 s ARG 139 Cb 0.08 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 32.94 2jj1 s ARG 139 CO 0.15 -0.43 0.34 -1.50 0.02 0.00 0.00 175.30 173.88 2jj1 s ILE 140 N -2.52 0.07 0.19 1.52 2.07 -1.05 -4.27 121.20 117.20 2jj1 s ILE 140 Ca 0.55 -0.55 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 2jj1 s ILE 140 Cb -0.10 -0.85 -0.17 0.00 0.13 0.00 0.00 42.46 41.47 2jj1 s ILE 140 CO 0.35 -0.30 0.67 -1.20 -1.91 0.00 0.00 174.94 172.55 2jj1 n SER 141 N 0.78 -0.70 -4.68 4.50 7.64 -1.26 -4.69 113.62 115.21 2jj1 n SER 141 Ca -0.19 1.14 -0.43 0.00 1.01 0.00 0.00 58.87 60.39 2jj1 n SER 141 Cb 0.58 -1.00 -0.03 0.00 -1.01 0.00 0.00 64.21 62.75 2jj1 n SER 141 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2jj1 n VAL 142 N 0.26 0.52 0.00 0.44 0.31 -1.26 -4.81 118.33 113.79 2jj1 n VAL 142 Ca 0.17 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2jj1 n VAL 142 Cb 0.24 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 2jj1 n VAL 142 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jj1 n ARG 143 N 6.31 0.50 -2.97 5.55 1.74 -1.26 -4.67 116.66 121.85 2jj1 n ARG 143 Ca 0.19 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.87 2jj1 n ARG 143 Cb 0.37 -0.59 -0.04 0.00 -1.02 0.00 0.00 32.46 31.17 2jj1 n ARG 143 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jj1 s GLU 144 N -1.18 4.42 0.44 5.56 2.02 -1.26 -4.46 118.70 124.23 2jj1 s GLU 144 Ca 0.00 0.97 -0.25 0.00 0.02 0.00 0.00 54.97 55.71 2jj1 s GLU 144 Cb 0.00 -3.48 -0.09 0.00 0.10 0.00 0.00 34.13 30.66 2jj1 s GLU 144 CO 0.00 -0.04 1.33 -2.30 0.02 0.00 0.00 175.26 174.27 2jj1 n PRO 145 N 4.12 2.02 -3.83 0.39 -0.02 -1.24 0.74 135.00 137.18 2jj1 n PRO 145 Ca 0.01 0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 2jj1 n PRO 145 Cb 0.51 -2.47 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 2jj1 n PRO 145 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2jj1 s MET 146 N -2.31 1.95 0.10 -0.52 1.75 -0.29 -4.48 119.30 115.49 2jj1 s MET 146 Ca 0.61 -2.76 -0.31 0.00 -1.25 0.00 0.00 55.69 51.99 2jj1 s MET 146 Cb -0.48 -2.99 -0.07 0.00 2.84 0.00 0.00 34.83 34.12 2jj1 s MET 146 CO 0.57 -1.22 1.27 -0.65 -0.65 0.00 0.00 175.02 174.35 2jj1 s GLN 147 N -0.62 4.40 0.08 4.11 -1.52 -1.26 -4.47 119.66 120.37 2jj1 s GLN 147 Ca 0.22 1.90 0.20 0.00 -1.95 0.00 0.00 55.36 55.73 2jj1 s GLN 147 Cb -0.14 -3.29 -0.12 0.00 -0.22 0.00 0.00 33.01 29.23 2jj1 s GLN 147 CO -0.09 -0.31 0.80 0.25 -0.25 0.00 0.00 175.29 175.70 2jj1 n THR 148 N 3.75 0.85 -0.96 -0.19 -2.24 -1.26 -4.80 114.28 109.42 2jj1 n THR 148 Ca 0.09 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2jj1 n THR 148 Cb 0.45 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2jj1 n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj1 n GLY 149 N 1.33 0.69 3.47 3.38 0.00 -1.26 -4.05 105.19 108.75 2jj1 n GLY 149 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2jj1 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj1 s ILE 150 N -2.89 5.12 0.24 -0.61 1.01 -1.26 -1.16 121.20 121.64 2jj1 s ILE 150 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 2jj1 s ILE 150 Cb 0.00 -4.04 0.30 0.00 0.01 0.00 0.00 42.46 38.73 2jj1 s ILE 150 CO 0.00 -0.43 1.56 0.11 0.00 0.00 0.00 174.94 176.19 2jj1 h LYS 151 N 8.72 -0.02 -0.47 2.79 1.57 -1.94 0.12 116.57 127.34 2jj1 h LYS 151 Ca -0.27 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 2jj1 h LYS 151 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2jj1 h LYS 151 CO 0.79 -0.01 -0.02 0.00 -0.57 0.00 0.00 179.45 179.64 2jj1 h ALA 152 N 1.54 1.08 0.31 3.86 0.00 -1.93 -2.04 119.26 122.09 2jj1 h ALA 152 Ca 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2jj1 h ALA 152 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jj1 h ALA 152 CO -0.94 0.58 -0.15 0.28 0.00 0.00 0.00 179.25 179.02 2jj1 h VAL 153 N 0.74 0.48 0.00 0.00 2.07 -1.50 -2.72 116.25 115.31 2jj1 h VAL 153 Ca 0.14 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2jj1 h VAL 153 Cb 0.47 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jj1 h VAL 153 CO 0.02 0.11 0.00 0.47 0.02 0.00 0.00 177.57 178.19 2jj1 n ASP 154 N -5.08 0.00 -0.03 0.57 8.00 0.27 -1.32 116.55 118.97 2jj1 n ASP 154 Ca -0.08 0.44 -0.03 0.00 0.71 0.00 0.00 54.79 55.83 2jj1 n ASP 154 Cb 0.26 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 2jj1 n ASP 154 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2jj1 n SER 155 N -1.46 3.64 -0.09 -2.24 3.41 -0.78 -4.61 113.62 111.50 2jj1 n SER 155 Ca 0.02 -0.02 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2jj1 n SER 155 Cb 0.08 0.18 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 2jj1 n SER 155 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jj1 n LEU 156 N -2.49 0.84 -3.16 1.04 4.77 -1.03 -4.70 117.00 112.28 2jj1 n LEU 156 Ca -0.10 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 2jj1 n LEU 156 Cb 0.63 0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.77 2jj1 n LEU 156 CO 0.08 0.59 -0.24 1.33 -1.33 0.00 0.00 177.39 177.81 2jj1 n VAL 157 N -2.93 -0.49 -2.25 4.08 0.24 -0.44 -4.63 118.33 111.92 2jj1 n VAL 157 Ca -0.33 -4.02 -0.34 0.00 -2.04 0.00 0.00 64.34 57.61 2jj1 n VAL 157 Cb 1.11 -1.20 -0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2jj1 n VAL 157 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2jj1 s PRO 158 N -1.44 3.44 -0.07 7.34 0.04 -1.05 -4.64 135.00 138.62 2jj1 s PRO 158 Ca 0.36 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2jj1 s PRO 158 Cb 0.23 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2jj1 s PRO 158 CO -0.11 -0.74 -0.11 0.42 0.04 0.00 0.00 177.00 176.51 2jj1 s ILE 159 N -2.08 3.37 0.43 0.56 1.01 -1.26 -4.63 121.20 118.59 2jj1 s ILE 159 Ca 0.68 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.80 2jj1 s ILE 159 Cb -0.19 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 2jj1 s ILE 159 CO 0.28 0.58 0.21 -0.83 0.00 0.00 0.00 174.94 175.19 2jj1 s GLY 160 N -0.60 2.36 -0.36 6.18 0.00 -1.26 -1.14 107.32 112.50 2jj1 s GLY 160 Ca 0.09 -1.94 -0.29 0.00 0.00 0.00 0.00 44.72 42.58 2jj1 s GLY 160 CO 0.02 -1.91 1.27 0.50 0.00 0.00 0.00 173.10 172.98 2jj1 s ARG 161 N -3.96 3.82 0.00 2.90 0.52 0.23 -2.16 118.95 120.30 2jj1 s ARG 161 Ca 0.39 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.64 2jj1 s ARG 161 Cb 0.03 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.60 2jj1 s ARG 161 CO 0.22 -1.24 0.00 0.41 0.02 0.00 0.00 175.30 174.71 2jj1 n GLY 162 N 4.53 0.88 3.85 -3.53 0.00 -1.24 -4.54 105.19 105.13 2jj1 n GLY 162 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2jj1 n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jj1 s GLN 163 N -0.34 4.00 -0.14 1.61 0.74 -0.92 -3.05 119.66 121.55 2jj1 s GLN 163 Ca 0.00 0.74 -0.05 0.00 0.05 0.00 0.00 55.36 56.10 2jj1 s GLN 163 Cb 0.00 -2.35 -0.04 0.00 1.10 0.00 0.00 33.01 31.72 2jj1 s GLN 163 CO 0.00 0.05 0.04 1.03 -0.55 0.00 0.00 175.29 175.86 2jj1 s ARG 164 N -3.27 3.54 -0.23 1.67 3.00 -1.26 -1.24 118.95 121.16 2jj1 s ARG 164 Ca 0.55 -0.36 -0.03 0.00 0.00 0.00 0.00 55.73 55.90 2jj1 s ARG 164 Cb -0.10 -3.04 0.11 0.00 0.00 0.00 0.00 34.95 31.93 2jj1 s ARG 164 CO 0.20 0.48 0.27 -2.00 0.00 0.00 0.00 175.30 174.25 2jj1 s GLU 165 N -0.23 0.25 0.23 3.54 2.56 -0.48 0.42 118.70 124.99 2jj1 s GLU 165 Ca 0.07 0.22 -0.30 0.00 0.00 0.00 0.00 54.97 54.96 2jj1 s GLU 165 Cb -0.12 -0.94 -0.09 0.00 2.00 0.00 0.00 34.13 34.98 2jj1 s GLU 165 CO 0.02 -0.72 1.27 -1.17 -0.56 0.00 0.00 175.26 174.10 2jj1 s LEU 166 N 2.38 4.44 -0.33 2.70 2.96 -0.51 -3.86 118.68 126.46 2jj1 s LEU 166 Ca 0.09 2.42 -0.11 0.00 -0.22 0.00 0.00 54.13 56.31 2jj1 s LEU 166 Cb -0.15 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 42.91 2jj1 s LEU 166 CO -0.17 -0.47 0.19 -0.63 -1.32 0.00 0.00 176.35 173.95 2jj1 s ILE 167 N -0.26 4.80 0.01 6.68 1.01 -0.29 0.14 121.20 133.30 2jj1 s ILE 167 Ca 0.54 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2jj1 s ILE 167 Cb -0.36 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2jj1 s ILE 167 CO 0.41 -0.00 -0.06 -0.51 0.00 0.00 0.00 174.94 174.78 2jj1 s ILE 168 N 1.64 0.45 0.00 2.92 2.07 0.53 -2.02 121.20 126.79 2jj1 s ILE 168 Ca 0.05 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 2jj1 s ILE 168 Cb -0.17 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2jj1 s ILE 168 CO 0.08 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 2jj1 n GLY 169 N 2.63 0.44 3.44 1.50 0.00 -1.09 0.09 105.19 112.20 2jj1 n GLY 169 Ca -0.15 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 2jj1 n GLY 169 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jj1 s ASP 170 N 0.00 0.26 0.59 1.61 -0.00 -1.26 -1.12 116.67 116.76 2jj1 s ASP 170 Ca 0.00 1.10 -0.20 0.00 -0.00 0.00 0.00 52.55 53.45 2jj1 s ASP 170 Cb 0.00 -1.65 -0.03 0.00 -0.00 0.00 0.00 42.92 41.23 2jj1 s ASP 170 CO 0.00 -4.58 1.31 -2.11 -0.00 0.00 0.00 175.17 169.78 2jj1 n ARG 171 N -5.13 1.40 -3.37 8.23 1.85 -1.26 -3.46 116.66 114.92 2jj1 n ARG 171 Ca 0.08 0.53 -0.24 0.00 -1.00 0.00 0.00 57.85 57.21 2jj1 n ARG 171 Cb 0.57 -2.53 0.02 0.00 -1.05 0.00 0.00 32.46 29.47 2jj1 n ARG 171 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2jj1 n GLN 172 N -1.38 -4.58 0.00 2.89 1.13 -1.26 -4.86 117.38 109.33 2jj1 n GLN 172 Ca 0.13 0.67 0.10 0.00 -1.94 0.00 0.00 57.00 55.95 2jj1 n GLN 172 Cb 0.46 -5.48 0.03 0.00 0.11 0.00 0.00 30.24 25.36 2jj1 n GLN 172 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2jj1 n THR 173 N -4.34 0.00 0.00 5.09 -2.24 -1.22 -4.99 114.28 106.58 2jj1 n THR 173 Ca -0.03 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2jj1 n THR 173 Cb 0.57 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 2jj1 n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj1 n GLY 174 N 1.25 1.03 0.31 3.38 0.00 -1.26 -4.58 105.19 105.32 2jj1 n GLY 174 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2jj1 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jj1 h LYS 175 N 0.86 -0.41 -0.71 1.61 1.57 -1.94 -2.74 116.57 114.81 2jj1 h LYS 175 Ca 0.00 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2jj1 h LYS 175 Cb 0.00 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2jj1 h LYS 175 CO 0.00 -0.27 0.21 1.15 -0.57 0.00 0.00 179.45 179.97 2jj1 h THR 176 N -0.43 1.26 -0.54 -0.16 2.02 -1.97 -2.29 112.91 110.80 2jj1 h THR 176 Ca 0.06 -0.91 0.15 0.00 0.77 0.00 0.00 66.41 66.48 2jj1 h THR 176 Cb 0.51 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2jj1 h THR 176 CO -0.24 0.36 0.38 0.28 0.37 0.00 0.00 175.52 176.66 2jj1 h SER 177 N 1.06 0.05 -0.27 4.18 0.02 -1.94 0.82 113.55 117.46 2jj1 h SER 177 Ca 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2jj1 h SER 177 Cb 0.32 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2jj1 h SER 177 CO -0.00 0.03 0.07 0.40 -1.14 0.00 0.00 176.83 176.18 2jj1 h ILE 178 N 0.05 1.21 -0.22 3.27 1.08 -1.12 -1.67 117.51 120.11 2jj1 h ILE 178 Ca 0.26 -0.67 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 2jj1 h ILE 178 Cb 0.95 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 2jj1 h ILE 178 CO -0.02 0.22 0.06 0.00 -0.69 0.00 0.00 178.15 177.72 2jj1 h ALA 179 N 0.90 0.29 -0.14 1.87 0.00 -1.03 -2.15 119.26 119.00 2jj1 h ALA 179 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jj1 h ALA 179 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jj1 h ALA 179 CO -0.00 -0.07 0.08 0.82 0.00 0.00 0.00 179.25 180.08 2jj1 h ILE 180 N 0.18 1.09 -0.81 0.00 1.08 -0.87 -1.22 117.51 116.95 2jj1 h ILE 180 Ca 0.07 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 2jj1 h ILE 180 Cb 0.26 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 2jj1 h ILE 180 CO -0.00 0.08 0.52 0.44 -0.69 0.00 0.00 178.15 178.50 2jj1 h ASP 181 N 0.13 0.86 -0.91 1.72 5.19 -1.33 -0.89 116.42 121.19 2jj1 h ASP 181 Ca 0.05 -0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2jj1 h ASP 181 Cb 0.06 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.34 2jj1 h ASP 181 CO -0.01 0.59 0.60 0.74 -3.12 0.00 0.00 179.24 178.04 2jj1 h THR 182 N 1.01 1.24 -0.16 0.35 2.02 -0.79 0.10 112.91 116.67 2jj1 h THR 182 Ca 0.33 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 2jj1 h THR 182 Cb 0.02 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.32 2jj1 h THR 182 CO -0.12 0.23 -0.26 0.40 0.37 0.00 0.00 175.52 176.14 2jj1 h ILE 183 N 1.24 1.35 -0.52 3.11 2.04 -0.81 -2.90 117.51 121.03 2jj1 h ILE 183 Ca 0.33 -1.49 0.07 0.00 1.00 0.00 0.00 64.86 64.77 2jj1 h ILE 183 Cb -0.14 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2jj1 h ILE 183 CO -0.07 0.45 0.19 0.40 0.00 0.00 0.00 178.15 179.12 2jj1 h ILE 184 N 0.09 0.83 -1.00 -0.67 2.04 -1.00 -2.77 117.51 115.02 2jj1 h ILE 184 Ca 0.01 -0.13 0.26 0.00 1.00 0.00 0.00 64.86 66.01 2jj1 h ILE 184 Cb 0.84 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2jj1 h ILE 184 CO 0.06 0.07 0.68 -1.13 0.00 0.00 0.00 178.15 177.83 2jj1 h ASN 185 N 0.38 0.26 0.28 1.72 -1.24 -0.58 -1.07 115.58 115.33 2jj1 h ASN 185 Ca 0.25 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.30 2jj1 h ASN 185 Cb 0.26 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2jj1 h ASN 185 CO -0.25 0.07 0.00 0.00 -1.29 0.00 0.00 177.43 175.96 2jj1 n GLN 186 N -4.44 0.05 -0.31 6.67 1.13 -1.05 -3.60 117.38 115.84 2jj1 n GLN 186 Ca 0.22 0.28 0.06 0.00 -1.94 0.00 0.00 57.00 55.63 2jj1 n GLN 186 Cb 0.92 -1.50 0.27 0.00 0.11 0.00 0.00 30.24 30.04 2jj1 n GLN 186 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2jj1 h LYS 187 N 0.00 0.93 -0.49 -1.09 3.64 -1.38 -1.31 116.57 116.87 2jj1 h LYS 187 Ca 0.00 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 2jj1 h LYS 187 Cb 0.14 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2jj1 h LYS 187 CO 0.00 0.61 -0.06 0.07 -2.27 0.00 0.00 179.45 177.80 2jj1 h ARG 188 N 0.96 0.86 -0.16 1.90 0.11 -1.83 -1.23 114.38 114.98 2jj1 h ARG 188 Ca 0.42 -0.27 -0.14 0.00 0.10 0.00 0.00 59.98 60.09 2jj1 h ARG 188 Cb 0.35 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2jj1 h ARG 188 CO -0.18 0.90 -0.45 0.74 0.10 0.00 0.00 179.97 181.08 2jj1 h PHE 189 N 0.78 0.76 0.00 4.08 -1.00 -1.67 -2.52 116.94 117.38 2jj1 h PHE 189 Ca 0.14 -0.30 -0.03 0.00 2.81 0.00 0.00 57.97 60.58 2jj1 h PHE 189 Cb 0.56 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 2jj1 h PHE 189 CO 0.03 1.07 -0.17 -0.91 -1.61 0.00 0.00 178.31 176.72 2jj1 h ASN 190 N 0.24 0.00 0.53 2.17 2.35 -1.17 -1.45 115.58 118.26 2jj1 h ASN 190 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2jj1 h ASN 190 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2jj1 h ASN 190 CO 0.10 0.17 -0.61 0.47 -1.65 0.00 0.00 177.43 175.90 2jj1 n ASP 191 N -3.27 0.57 -2.08 5.81 8.00 -0.47 -4.96 116.55 120.14 2jj1 n ASP 191 Ca 0.01 -0.22 -0.01 0.00 0.71 0.00 0.00 54.79 55.28 2jj1 n ASP 191 Cb 0.44 0.33 0.01 0.00 -0.02 0.00 0.00 41.12 41.88 2jj1 n ASP 191 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jj1 n GLY 192 N 1.46 -0.29 0.01 0.44 0.00 -0.55 -5.06 105.19 101.20 2jj1 n GLY 192 Ca 0.05 -1.80 0.05 0.00 0.00 0.00 0.00 46.02 44.31 2jj1 n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jj1 n THR 193 N -1.79 0.05 -2.24 2.61 -2.24 -1.26 -4.91 114.28 104.50 2jj1 n THR 193 Ca 0.01 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 2jj1 n THR 193 Cb 0.02 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 2jj1 n THR 193 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jj1 s ASP 194 N -3.34 6.50 0.10 3.42 -1.08 -1.26 -4.90 116.67 116.10 2jj1 s ASP 194 Ca -0.04 1.45 -0.03 0.00 -0.52 0.00 0.00 52.55 53.41 2jj1 s ASP 194 Cb 0.07 -2.54 -0.22 0.00 -1.46 0.00 0.00 42.92 38.77 2jj1 s ASP 194 CO 0.46 -1.19 1.20 -0.08 0.52 0.00 0.00 175.17 176.08 2jj1 h GLU 195 N 10.14 0.27 0.00 4.34 4.57 -1.93 -3.02 114.58 128.94 2jj1 h GLU 195 Ca -0.31 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.47 2jj1 h GLU 195 Cb 1.13 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2jj1 h GLU 195 CO 1.01 1.16 0.00 0.87 -1.18 0.00 0.00 179.01 180.88 2jj1 h LYS 196 N 0.09 0.00 -0.00 1.92 1.79 -1.93 -2.95 116.57 115.49 2jj1 h LYS 196 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2jj1 h LYS 196 Cb 1.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.50 2jj1 h LYS 196 CO 0.19 0.00 -0.67 1.63 -1.08 0.00 0.00 179.45 179.52 2jj1 n LYS 197 N -2.53 0.15 -2.11 3.15 5.02 -1.14 -4.92 118.16 115.77 2jj1 n LYS 197 Ca -0.00 -0.10 -0.37 0.00 -2.02 0.00 0.00 58.31 55.82 2jj1 n LYS 197 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 2jj1 n LYS 197 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jj1 s LYS 198 N -2.92 3.42 -0.23 1.97 1.02 -1.12 -4.79 119.74 117.08 2jj1 s LYS 198 Ca 0.11 1.85 -0.03 0.00 0.02 0.00 0.00 55.97 57.93 2jj1 s LYS 198 Cb 0.17 -2.22 0.08 0.00 -0.52 0.00 0.00 37.83 35.34 2jj1 s LYS 198 CO 0.74 -0.86 0.08 -1.17 -0.92 0.00 0.00 175.35 173.23 2jj1 s LEU 199 N -3.45 0.99 0.18 3.17 2.96 -1.26 -4.27 118.68 117.00 2jj1 s LEU 199 Ca 0.69 -1.04 -0.24 0.00 -0.22 0.00 0.00 54.13 53.33 2jj1 s LEU 199 Cb -0.31 -0.49 -0.08 0.00 0.50 0.00 0.00 46.19 45.81 2jj1 s LEU 199 CO 0.36 -0.37 0.76 -0.31 -1.32 0.00 0.00 176.35 175.46 2jj1 s TYR 200 N 1.95 3.84 0.17 5.38 1.51 -0.44 -4.87 117.35 124.90 2jj1 s TYR 200 Ca 0.04 1.56 0.09 0.00 -1.01 0.00 0.00 57.07 57.76 2jj1 s TYR 200 Cb -0.17 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.92 2jj1 s TYR 200 CO -0.19 0.48 -0.14 0.00 -1.11 0.00 0.00 175.55 174.58 2jj1 s ILE 202 N -1.62 -0.08 -0.24 0.00 1.01 0.88 -0.62 121.20 120.54 2jj1 s ILE 202 Ca 0.23 0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.15 2jj1 s ILE 202 Cb -0.09 -0.15 0.05 0.00 0.01 0.00 0.00 42.46 42.28 2jj1 s ILE 202 CO 0.13 0.10 -0.11 -0.47 0.00 0.00 0.00 174.94 174.59 2jj1 s TYR 203 N 1.34 2.97 -0.25 3.97 5.04 0.37 -0.87 117.35 129.92 2jj1 s TYR 203 Ca -0.06 -2.06 -0.12 0.00 -2.44 0.00 0.00 57.07 52.39 2jj1 s TYR 203 Cb -0.12 -1.84 -0.05 0.00 0.35 0.00 0.00 41.96 40.30 2jj1 s TYR 203 CO -0.04 -0.84 0.22 0.08 -1.34 0.00 0.00 175.55 173.63 2jj1 s VAL 204 N 1.21 5.31 -0.24 3.14 1.01 0.60 -1.40 120.40 130.03 2jj1 s VAL 204 Ca -0.06 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 2jj1 s VAL 204 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2jj1 s VAL 204 CO -0.07 0.30 0.09 0.00 0.00 0.00 0.00 175.10 175.42 2jj1 s ALA 205 N 1.33 3.28 -0.22 5.51 0.00 0.22 -0.53 121.76 131.35 2jj1 s ALA 205 Ca 0.10 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2jj1 s ALA 205 Cb -0.14 -2.11 0.04 0.00 0.00 0.00 0.00 23.12 20.90 2jj1 s ALA 205 CO 0.07 -0.33 -0.16 0.42 0.00 0.00 0.00 175.76 175.76 2jj1 s ILE 206 N 1.33 2.13 0.00 0.00 1.09 -0.10 -1.34 121.20 124.31 2jj1 s ILE 206 Ca 0.05 -1.24 0.00 0.00 -1.10 0.00 0.00 60.65 58.37 2jj1 s ILE 206 Cb -0.15 -2.06 0.00 0.00 -1.06 0.00 0.00 42.46 39.20 2jj1 s ILE 206 CO 0.04 0.29 0.00 0.61 -0.10 0.00 0.00 174.94 175.78 2jj1 n GLY 207 N 4.54 1.18 3.79 6.18 0.00 -0.70 -3.48 105.19 116.69 2jj1 n GLY 207 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2jj1 n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jj1 s GLN 208 N -0.42 2.17 0.33 1.61 -0.21 -1.26 -3.70 119.66 118.17 2jj1 s GLN 208 Ca 0.00 0.83 -0.27 0.00 0.02 0.00 0.00 55.36 55.95 2jj1 s GLN 208 Cb 0.00 -1.91 -0.09 0.00 1.00 0.00 0.00 33.01 32.00 2jj1 s GLN 208 CO 0.00 -1.61 1.00 -1.59 -2.12 0.00 0.00 175.29 170.97 2jj1 s LYS 209 N -5.05 4.52 0.27 2.91 -2.85 -1.26 -0.69 119.74 117.59 2jj1 s LYS 209 Ca 0.61 1.48 -0.00 0.00 -1.00 0.00 0.00 55.97 57.05 2jj1 s LYS 209 Cb -0.15 -2.86 0.55 0.00 -2.06 0.00 0.00 37.83 33.31 2jj1 s LYS 209 CO 0.55 0.19 1.77 0.00 0.10 0.00 0.00 175.35 177.95 2jj1 h ARG 210 N 3.22 0.63 -0.77 1.78 3.08 -1.97 -1.06 114.38 119.30 2jj1 h ARG 210 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2jj1 h ARG 210 Cb 1.20 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 2jj1 h ARG 210 CO 0.65 0.42 0.48 0.66 -1.07 0.00 0.00 179.97 181.11 2jj1 h SER 211 N 0.65 0.90 -0.31 7.04 4.64 -2.00 -2.10 113.55 122.37 2jj1 h SER 211 Ca 0.47 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.77 2jj1 h SER 211 Cb 0.66 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2jj1 h SER 211 CO -0.36 0.68 0.18 0.74 -0.87 0.00 0.00 176.83 177.20 2jj1 h THR 212 N 1.05 1.03 0.00 2.95 2.02 -1.59 -2.17 112.91 116.20 2jj1 h THR 212 Ca 0.28 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2jj1 h THR 212 Cb -0.08 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2jj1 h THR 212 CO -0.06 0.07 -0.12 0.58 0.37 0.00 0.00 175.52 176.36 2jj1 h VAL 213 N 0.37 0.43 0.12 3.16 2.07 -1.22 -1.62 116.25 119.57 2jj1 h VAL 213 Ca 0.12 -0.66 -0.28 0.00 0.82 0.00 0.00 66.70 66.70 2jj1 h VAL 213 Cb -0.00 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2jj1 h VAL 213 CO -0.06 0.12 -1.34 0.00 0.02 0.00 0.00 177.57 176.32 2jj1 h ALA 214 N 1.88 0.18 -0.68 1.67 0.00 -1.13 -2.97 119.26 118.21 2jj1 h ALA 214 Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 2jj1 h ALA 214 Cb 0.46 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2jj1 h ALA 214 CO 0.02 1.05 0.33 1.96 0.00 0.00 0.00 179.25 182.60 2jj1 h GLN 215 N 0.07 0.96 0.18 0.00 1.08 -0.96 -0.51 115.11 115.93 2jj1 h GLN 215 Ca -0.17 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 56.92 2jj1 h GLN 215 Cb 1.98 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 29.20 2jj1 h GLN 215 CO 0.18 0.75 -0.28 1.25 -0.95 0.00 0.00 178.83 179.78 2jj1 h LEU 216 N 0.96 -0.77 -0.87 1.46 7.12 -1.33 0.35 115.31 122.23 2jj1 h LEU 216 Ca 0.24 0.08 -0.09 0.00 0.13 0.00 0.00 57.88 58.23 2jj1 h LEU 216 Cb 0.10 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 2jj1 h LEU 216 CO -0.03 -0.38 -0.44 -0.37 -0.13 0.00 0.00 178.44 177.09 2jj1 h VAL 217 N -0.53 1.04 -0.57 1.05 -1.51 -1.36 0.24 116.25 114.60 2jj1 h VAL 217 Ca 0.01 -1.69 -0.06 0.00 -1.23 0.00 0.00 66.70 63.73 2jj1 h VAL 217 Cb 0.52 1.99 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2jj1 h VAL 217 CO -0.12 0.43 0.11 0.50 -1.23 0.00 0.00 177.57 177.26 2jj1 h LYS 218 N 0.00 0.93 -0.43 5.19 1.63 -0.87 0.61 116.57 123.64 2jj1 h LYS 218 Ca -0.00 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.49 2jj1 h LYS 218 Cb 0.96 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.46 2jj1 h LYS 218 CO 0.06 0.88 0.03 -0.09 -3.45 0.00 0.00 179.45 176.88 2jj1 h ARG 219 N 0.83 0.73 -0.47 1.90 9.65 -0.33 -0.92 114.38 125.77 2jj1 h ARG 219 Ca 0.18 -0.22 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 2jj1 h ARG 219 Cb 0.39 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 2jj1 h ARG 219 CO 0.01 0.79 -0.15 -0.07 2.80 0.00 0.00 179.97 183.35 2jj1 h LEU 220 N 0.58 0.94 0.41 3.80 3.38 -0.18 -2.74 115.31 121.50 2jj1 h LEU 220 Ca 0.12 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2jj1 h LEU 220 Cb 0.44 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jj1 h LEU 220 CO 0.02 1.10 -0.19 0.74 0.09 0.00 0.00 178.44 180.19 2jj1 h THR 221 N 0.78 0.58 -0.67 0.22 2.02 0.31 0.73 112.91 116.86 2jj1 h THR 221 Ca 0.11 -0.37 0.19 0.00 0.77 0.00 0.00 66.41 67.11 2jj1 h THR 221 Cb 0.71 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2jj1 h THR 221 CO 0.05 0.07 0.48 0.44 0.37 0.00 0.00 175.52 176.93 2jj1 h ASP 222 N -0.77 0.05 -0.03 4.18 3.32 -1.18 0.26 116.42 122.26 2jj1 h ASP 222 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2jj1 h ASP 222 Cb 0.53 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2jj1 h ASP 222 CO 0.09 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 2jj1 n ALA 223 N -2.65 2.55 -2.70 3.45 0.00 -1.04 -4.94 120.51 115.18 2jj1 n ALA 223 Ca 0.13 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 2jj1 n ALA 223 Cb 0.71 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 19.10 2jj1 n ALA 223 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jj1 n ASP 224 N 0.45 -3.94 -0.04 0.00 2.03 0.92 -4.94 116.55 111.04 2jj1 n ASP 224 Ca 0.18 -0.16 0.08 0.00 0.52 0.00 0.00 54.79 55.40 2jj1 n ASP 224 Cb 0.41 -2.79 -0.08 0.00 -0.72 0.00 0.00 41.12 37.94 2jj1 n ASP 224 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jj1 n ALA 225 N -2.84 3.98 -0.17 -1.67 0.00 0.19 -4.57 120.51 115.44 2jj1 n ALA 225 Ca -0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 2jj1 n ALA 225 Cb 0.56 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.43 2jj1 n ALA 225 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2jj1 h MET 226 N 0.18 0.87 -0.30 0.00 2.86 -1.82 -3.07 114.93 113.65 2jj1 h MET 226 Ca 0.00 -0.29 0.09 0.00 -2.06 0.00 0.00 59.70 57.44 2jj1 h MET 226 Cb 0.39 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2jj1 h MET 226 CO 0.00 0.92 0.55 1.57 1.06 0.00 0.00 176.91 181.01 2jj1 h LYS 227 N 0.73 0.00 -0.07 1.72 2.10 -1.90 0.46 116.57 119.62 2jj1 h LYS 227 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2jj1 h LYS 227 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2jj1 h LYS 227 CO 0.03 0.00 0.00 2.48 -2.00 0.00 0.00 179.45 179.96 2jj1 n TYR 228 N -3.24 0.17 -5.20 0.07 0.18 -1.17 -4.17 117.16 103.80 2jj1 n TYR 228 Ca 0.05 -0.79 -0.32 0.00 1.88 0.00 0.00 57.90 58.73 2jj1 n TYR 228 Cb 0.68 -0.13 -0.16 0.00 -0.38 0.00 0.00 39.34 39.35 2jj1 n TYR 228 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2jj1 s THR 229 N -2.15 2.25 -0.17 -3.48 2.01 0.16 -1.07 115.64 113.19 2jj1 s THR 229 Ca 0.23 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 2jj1 s THR 229 Cb 0.19 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 2jj1 s THR 229 CO 0.04 0.57 0.08 -0.63 -0.69 0.00 0.00 174.62 173.99 2jj1 s ILE 230 N -0.33 4.94 -0.26 1.82 1.01 0.20 0.55 121.20 129.14 2jj1 s ILE 230 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 2jj1 s ILE 230 Cb -0.12 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.15 2jj1 s ILE 230 CO 0.02 0.49 -0.01 -0.69 0.00 0.00 0.00 174.94 174.75 2jj1 s VAL 231 N 0.06 3.29 -0.27 2.92 1.01 -0.95 -0.48 120.40 125.99 2jj1 s VAL 231 Ca 0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 2jj1 s VAL 231 Cb -0.12 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2jj1 s VAL 231 CO 0.00 0.19 0.18 -0.69 0.00 0.00 0.00 175.10 174.78 2jj1 s VAL 232 N 1.40 5.25 -0.20 2.92 1.01 -0.49 -1.14 120.40 129.15 2jj1 s VAL 232 Ca 0.02 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2jj1 s VAL 232 Cb -0.16 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.77 2jj1 s VAL 232 CO -0.02 0.27 -0.08 -0.55 0.00 0.00 0.00 175.10 174.73 2jj1 s SER 233 N 1.62 3.41 -0.58 3.32 0.15 -0.25 -0.61 113.70 120.76 2jj1 s SER 233 Ca 0.07 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.81 2jj1 s SER 233 Cb -0.15 -1.15 0.15 0.00 -1.71 0.00 0.00 66.02 63.15 2jj1 s SER 233 CO 0.09 -0.18 0.35 0.00 1.20 0.00 0.00 173.24 174.71 2jj1 s ALA 234 N 1.45 3.46 0.81 5.45 0.00 -0.45 -4.07 121.76 128.41 2jj1 s ALA 234 Ca -0.02 -3.32 -0.06 0.00 0.00 0.00 0.00 51.96 48.56 2jj1 s ALA 234 Cb -0.17 -2.37 0.13 0.00 0.00 0.00 0.00 23.12 20.71 2jj1 s ALA 234 CO -0.07 -2.06 0.82 0.25 0.00 0.00 0.00 175.76 174.69 2jj1 n THR 235 N 3.16 0.00 -0.11 0.00 -2.24 -1.26 -1.72 114.28 112.10 2jj1 n THR 235 Ca 0.07 -0.91 0.19 0.00 -2.27 0.00 0.00 64.05 61.13 2jj1 n THR 235 Cb 0.34 -1.33 0.59 0.00 -2.10 0.00 0.00 70.33 67.83 2jj1 n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jj1 h ALA 236 N -1.18 2.32 0.00 6.98 0.00 -0.98 -1.69 119.26 124.71 2jj1 h ALA 236 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jj1 h ALA 236 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jj1 h ALA 236 CO 0.23 -0.52 -0.27 0.66 0.00 0.00 0.00 179.25 179.35 2jj1 h SER 237 N 0.23 0.00 -3.80 0.00 4.64 -1.92 -3.47 113.55 109.23 2jj1 h SER 237 Ca 0.34 -0.07 -0.50 0.00 -0.47 0.00 0.00 61.79 61.09 2jj1 h SER 237 Cb 1.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2jj1 h SER 237 CO -0.07 0.03 0.45 -1.81 -0.87 0.00 0.00 176.83 174.57 2jj1 s ASP 238 N -4.74 7.32 0.47 4.97 1.01 -0.64 -4.98 116.67 120.08 2jj1 s ASP 238 Ca 0.08 2.21 -0.21 0.00 0.71 0.00 0.00 52.55 55.34 2jj1 s ASP 238 Cb 0.11 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 2jj1 s ASP 238 CO 0.66 -0.10 0.71 0.00 0.21 0.00 0.00 175.17 176.65 2jj1 n ALA 239 N 1.21 -0.79 -0.24 5.23 0.00 -1.26 -4.69 120.51 119.97 2jj1 n ALA 239 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.58 2jj1 n ALA 239 Cb 0.45 -1.90 0.16 0.00 0.00 0.00 0.00 19.45 18.16 2jj1 n ALA 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jj1 h ALA 240 N 0.84 0.94 -0.54 0.00 0.00 -1.89 0.11 119.26 118.73 2jj1 h ALA 240 Ca -0.43 0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.74 2jj1 h ALA 240 Cb 1.38 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2jj1 h ALA 240 CO 0.52 -0.22 0.41 -1.35 0.00 0.00 0.00 179.25 178.60 2jj1 h PRO 241 N 0.40 0.00 0.09 0.00 0.11 -1.83 0.02 132.00 130.79 2jj1 h PRO 241 Ca 0.38 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.22 2jj1 h PRO 241 Cb 0.55 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.67 2jj1 h PRO 241 CO -0.39 0.00 -1.14 -0.07 -0.21 0.00 0.00 178.00 176.19 2jj1 h LEU 242 N 0.00 0.57 -0.87 2.35 3.38 -1.09 0.60 115.31 120.25 2jj1 h LEU 242 Ca 0.26 -0.54 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 2jj1 h LEU 242 Cb 1.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2jj1 h LEU 242 CO -0.00 1.37 -0.29 1.56 0.09 0.00 0.00 178.44 181.17 2jj1 h GLN 243 N 0.18 0.50 -0.25 1.13 4.20 -1.33 -0.16 115.11 119.37 2jj1 h GLN 243 Ca -0.13 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2jj1 h GLN 243 Cb 1.82 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.57 2jj1 h GLN 243 CO 0.20 0.74 0.08 -0.92 -0.67 0.00 0.00 178.83 178.26 2jj1 h TYR 244 N 0.43 0.39 0.01 2.96 3.20 -0.78 -3.25 116.97 119.94 2jj1 h TYR 244 Ca 0.06 -0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.69 2jj1 h TYR 244 Cb 0.73 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2jj1 h TYR 244 CO 0.02 0.43 -0.91 1.25 -1.64 0.00 0.00 178.16 177.32 2jj1 h LEU 245 N 0.24 0.15 -0.69 2.82 5.85 -0.73 -3.39 115.31 119.56 2jj1 h LEU 245 Ca 0.08 -0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.80 2jj1 h LEU 245 Cb 0.22 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.07 2jj1 h LEU 245 CO -0.00 0.98 -0.27 0.00 -0.34 0.00 0.00 178.44 178.81 2jj1 h ALA 246 N 1.01 0.23 -0.41 1.25 0.00 -1.05 -1.27 119.26 119.01 2jj1 h ALA 246 Ca -0.04 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2jj1 h ALA 246 Cb 1.57 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 20.03 2jj1 h ALA 246 CO 0.13 -0.55 0.24 -1.35 0.00 0.00 0.00 179.25 177.73 2jj1 h PRO 247 N -0.07 0.47 -0.67 0.00 0.11 -1.78 -0.69 132.00 129.37 2jj1 h PRO 247 Ca 0.30 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.44 2jj1 h PRO 247 Cb 0.55 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 2jj1 h PRO 247 CO -0.74 0.31 0.44 1.88 -0.21 0.00 0.00 178.00 179.68 2jj1 h TYR 248 N 0.49 0.68 -0.23 0.65 -1.99 -1.53 0.10 116.97 115.13 2jj1 h TYR 248 Ca 0.16 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 2jj1 h TYR 248 Cb 0.00 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.51 2jj1 h TYR 248 CO -0.07 0.36 -0.22 0.77 -0.00 0.00 0.00 178.16 179.00 2jj1 h SER 249 N 0.67 0.60 -0.65 3.88 0.02 -0.43 -2.54 113.55 115.09 2jj1 h SER 249 Ca 0.29 -0.47 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2jj1 h SER 249 Cb 0.27 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2jj1 h SER 249 CO -0.09 0.95 0.28 1.23 -1.14 0.00 0.00 176.83 178.06 2jj1 h GLY 250 N 0.26 1.03 1.19 -3.77 0.00 -0.83 -2.83 103.07 98.13 2jj1 h GLY 250 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.84 2jj1 h GLY 250 CO 0.06 0.51 0.53 0.00 0.00 0.00 0.00 176.54 177.64 2jj1 h SER 252 N 1.06 0.90 -1.00 0.00 0.02 -1.24 0.16 113.55 113.45 2jj1 h SER 252 Ca 0.30 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2jj1 h SER 252 Cb -0.09 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.15 2jj1 h SER 252 CO -0.07 1.05 0.66 0.24 -1.14 0.00 0.00 176.83 177.57 2jj1 h MET 253 N 0.74 1.33 -0.60 3.45 2.86 -1.22 -1.79 114.93 119.70 2jj1 h MET 253 Ca 0.12 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2jj1 h MET 253 Cb 0.65 -0.30 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2jj1 h MET 253 CO 0.04 0.88 0.30 0.78 1.06 0.00 0.00 176.91 179.97 2jj1 h GLY 254 N 1.36 0.91 2.00 8.32 0.00 -0.61 -3.14 103.07 111.91 2jj1 h GLY 254 Ca 0.37 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2jj1 h GLY 254 CO -0.08 0.42 -0.09 0.83 0.00 0.00 0.00 176.54 177.63 2jj1 h GLU 255 N 0.81 0.00 -0.19 4.80 5.08 0.19 -2.40 114.58 122.88 2jj1 h GLU 255 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2jj1 h GLU 255 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jj1 h GLU 255 CO -0.03 0.09 0.10 -0.92 -1.00 0.00 0.00 179.01 177.24 2jj1 h TYR 256 N 0.00 0.26 -0.83 4.33 3.20 -1.42 -0.24 116.97 122.27 2jj1 h TYR 256 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2jj1 h TYR 256 Cb 0.21 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2jj1 h TYR 256 CO 0.00 0.26 0.47 0.74 -1.64 0.00 0.00 178.16 177.99 2jj1 h PHE 257 N 0.18 1.11 -0.18 -3.82 -1.00 -1.58 -3.03 116.94 108.63 2jj1 h PHE 257 Ca 0.06 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 2jj1 h PHE 257 Cb 0.09 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 2jj1 h PHE 257 CO -0.03 0.76 -0.27 -0.09 -1.61 0.00 0.00 178.31 177.07 2jj1 h ARG 258 N 1.15 0.34 -0.31 1.51 2.43 -0.98 -0.78 114.38 117.74 2jj1 h ARG 258 Ca 0.29 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2jj1 h ARG 258 Cb -0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2jj1 h ARG 258 CO -0.05 0.59 0.00 -0.25 -1.51 0.00 0.00 179.97 178.75 2jj1 n ASP 259 N -4.13 3.38 -2.00 -3.80 8.00 -0.17 -3.88 116.55 113.95 2jj1 n ASP 259 Ca -0.01 -2.00 -0.13 0.00 0.71 0.00 0.00 54.79 53.36 2jj1 n ASP 259 Cb 0.39 -0.19 0.05 0.00 -0.02 0.00 0.00 41.12 41.35 2jj1 n ASP 259 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jj1 n ASN 260 N 1.47 3.56 -0.99 -2.24 3.02 -1.07 -4.88 115.26 114.13 2jj1 n ASN 260 Ca 0.18 -3.29 -0.12 0.00 -0.03 0.00 0.00 54.58 51.32 2jj1 n ASN 260 Cb 0.61 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.34 2jj1 n ASN 260 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jj1 n GLY 261 N -0.68 1.07 3.55 7.41 0.00 -1.22 -4.95 105.19 110.37 2jj1 n GLY 261 Ca 0.30 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 2jj1 n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jj1 s LYS 262 N -3.28 1.87 -0.06 1.61 1.02 -0.32 -4.49 119.74 116.09 2jj1 s LYS 262 Ca 0.00 -1.80 0.03 0.00 0.02 0.00 0.00 55.97 54.22 2jj1 s LYS 262 Cb 0.00 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.47 2jj1 s LYS 262 CO 0.00 0.22 -0.13 -1.01 -0.92 0.00 0.00 175.35 173.50 2jj1 s HIS 263 N -2.54 2.74 0.07 3.18 3.76 -1.26 -1.91 115.29 119.33 2jj1 s HIS 263 Ca 0.32 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 55.04 2jj1 s HIS 263 Cb -0.01 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 2jj1 s HIS 263 CO 0.17 0.14 -0.08 0.00 -0.85 0.00 0.00 174.74 174.12 2jj1 s ALA 264 N -0.58 0.79 -0.06 -1.40 0.00 -0.95 -1.33 121.76 118.24 2jj1 s ALA 264 Ca 0.08 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2jj1 s ALA 264 Cb -0.11 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2jj1 s ALA 264 CO 0.01 -0.10 -0.07 -1.17 0.00 0.00 0.00 175.76 174.43 2jj1 s LEU 265 N -2.21 1.38 -0.05 0.00 2.96 0.20 -1.49 118.68 119.47 2jj1 s LEU 265 Ca -0.00 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 2jj1 s LEU 265 Cb -0.04 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 2jj1 s LEU 265 CO -0.02 -0.04 -0.21 -0.51 -1.32 0.00 0.00 176.35 174.26 2jj1 s ILE 266 N 0.97 1.69 -0.15 6.68 2.07 0.11 -0.08 121.20 132.49 2jj1 s ILE 266 Ca -0.10 -0.87 -0.01 0.00 -1.41 0.00 0.00 60.65 58.26 2jj1 s ILE 266 Cb -0.15 -1.43 -0.02 0.00 0.13 0.00 0.00 42.46 40.99 2jj1 s ILE 266 CO 0.00 0.48 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.78 2jj1 s ILE 267 N -0.10 3.25 -0.52 2.00 -1.09 -0.05 -1.66 121.20 123.03 2jj1 s ILE 267 Ca -0.02 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.76 2jj1 s ILE 267 Cb -0.12 -2.39 0.14 0.00 -1.58 0.00 0.00 42.46 38.50 2jj1 s ILE 267 CO 0.02 0.51 0.35 -0.31 -1.23 0.00 0.00 174.94 174.28 2jj1 s TYR 268 N 0.49 3.50 -0.45 3.97 1.51 -1.11 -0.29 117.35 124.96 2jj1 s TYR 268 Ca -0.07 -2.33 0.03 0.00 -1.01 0.00 0.00 57.07 53.69 2jj1 s TYR 268 Cb -0.15 -3.33 0.12 0.00 -0.11 0.00 0.00 41.96 38.49 2jj1 s TYR 268 CO 0.04 -0.94 0.20 0.34 -1.11 0.00 0.00 175.55 174.08 2jj1 s ASP 269 N 1.74 4.24 0.26 2.29 2.15 0.31 -1.01 116.67 126.64 2jj1 s ASP 269 Ca 0.11 -2.68 0.03 0.00 0.43 0.00 0.00 52.55 50.44 2jj1 s ASP 269 Cb -0.22 -1.46 -0.05 0.00 -0.30 0.00 0.00 42.92 40.89 2jj1 s ASP 269 CO -0.03 -0.28 0.04 1.51 -0.17 0.00 0.00 175.17 176.24 2jj1 s ASP 270 N 0.20 1.77 0.12 -0.34 1.47 -1.23 -0.92 116.67 117.73 2jj1 s ASP 270 Ca 0.16 -1.30 0.26 0.00 1.18 0.00 0.00 52.55 52.84 2jj1 s ASP 270 Cb -0.24 0.03 0.66 0.00 -0.34 0.00 0.00 42.92 43.03 2jj1 s ASP 270 CO -0.03 -0.60 1.58 0.18 0.68 0.00 0.00 175.17 176.98 2jj1 n LEU 271 N -0.49 0.62 -0.18 2.11 4.77 0.15 -2.99 117.00 120.99 2jj1 n LEU 271 Ca -0.03 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.23 2jj1 n LEU 271 Cb 0.65 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2jj1 n LEU 271 CO 0.38 -0.07 0.94 0.28 -1.33 0.00 0.00 177.39 177.59 2jj1 h SER 272 N 0.00 0.71 0.55 -1.43 0.02 -1.94 0.25 113.55 111.72 2jj1 h SER 272 Ca 0.00 -0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 60.60 2jj1 h SER 272 Cb 0.68 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2jj1 h SER 272 CO 0.00 0.70 -0.74 0.11 -1.14 0.00 0.00 176.83 175.76 2jj1 h LYS 273 N 0.68 0.15 -0.25 3.45 1.57 -1.84 -0.68 116.57 119.65 2jj1 h LYS 273 Ca 0.17 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2jj1 h LYS 273 Cb 0.23 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2jj1 h LYS 273 CO -0.01 0.82 -0.01 0.37 -0.57 0.00 0.00 179.45 180.06 2jj1 h GLN 274 N 0.10 0.44 -0.64 3.15 4.15 -1.43 -2.28 115.11 118.60 2jj1 h GLN 274 Ca -0.02 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.33 2jj1 h GLN 274 Cb 1.31 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 2jj1 h GLN 274 CO 0.11 0.62 0.43 0.00 -1.93 0.00 0.00 178.83 178.05 2jj1 h ALA 275 N 0.81 1.82 -0.50 3.38 0.00 -0.52 0.00 119.26 124.25 2jj1 h ALA 275 Ca 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2jj1 h ALA 275 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jj1 h ALA 275 CO 0.01 0.06 -0.07 0.28 0.00 0.00 0.00 179.25 179.54 2jj1 h VAL 276 N 0.60 1.26 0.00 0.00 2.07 -0.89 -1.83 116.25 117.46 2jj1 h VAL 276 Ca 0.28 -1.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.50 2jj1 h VAL 276 Cb 0.34 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2jj1 h VAL 276 CO -0.09 0.41 -0.69 0.00 0.02 0.00 0.00 177.57 177.22 2jj1 h ALA 277 N 1.10 0.77 -0.01 1.67 0.00 -0.54 -1.94 119.26 120.30 2jj1 h ALA 277 Ca 0.14 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2jj1 h ALA 277 Cb 0.58 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jj1 h ALA 277 CO 0.04 0.87 -0.56 -0.92 0.00 0.00 0.00 179.25 178.67 2jj1 h TYR 278 N 0.00 0.59 -0.68 0.00 3.20 -1.04 -2.03 116.97 117.01 2jj1 h TYR 278 Ca -0.01 -0.31 0.14 0.00 3.14 0.00 0.00 58.73 61.69 2jj1 h TYR 278 Cb 1.29 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 39.39 2jj1 h TYR 278 CO 0.00 1.12 0.14 -0.09 -1.64 0.00 0.00 178.16 177.69 2jj1 h ARG 279 N -0.11 0.25 0.33 1.82 2.43 -1.25 0.42 114.38 118.28 2jj1 h ARG 279 Ca -0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2jj1 h ARG 279 Cb 1.27 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2jj1 h ARG 279 CO 0.11 0.16 -0.21 0.37 -1.51 0.00 0.00 179.97 178.90 2jj1 h GLN 280 N 0.25 -0.50 -0.33 0.20 4.15 -1.36 -0.82 115.11 116.71 2jj1 h GLN 280 Ca 0.37 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.89 2jj1 h GLN 280 Cb 0.60 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.34 2jj1 h GLN 280 CO -0.47 -0.34 -0.12 1.98 -1.93 0.00 0.00 178.83 177.95 2jj1 h MET 281 N -0.52 -0.05 -0.48 1.69 4.05 -0.57 -1.55 114.93 117.50 2jj1 h MET 281 Ca -0.03 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 2jj1 h MET 281 Cb 0.43 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 2jj1 h MET 281 CO 0.03 -0.03 -0.00 1.03 0.23 0.00 0.00 176.91 178.17 2jj1 h SER 282 N -0.05 0.76 -0.15 1.39 0.87 -0.10 -2.12 113.55 114.15 2jj1 h SER 282 Ca 0.16 -0.18 -0.20 0.00 -1.23 0.00 0.00 61.79 60.34 2jj1 h SER 282 Cb 0.30 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2jj1 h SER 282 CO -0.37 0.83 -0.69 -0.07 -0.53 0.00 0.00 176.83 176.00 2jj1 h LEU 283 N 0.74 0.87 -1.82 2.23 3.38 -0.75 -1.85 115.31 118.11 2jj1 h LEU 283 Ca 0.14 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2jj1 h LEU 283 Cb 0.45 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jj1 h LEU 283 CO 0.02 1.35 -0.15 -0.07 0.09 0.00 0.00 178.44 179.69 2jj1 h LEU 284 N 0.44 0.00 0.00 1.67 3.38 -1.26 -1.24 115.31 118.30 2jj1 h LEU 284 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jj1 h LEU 284 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2jj1 h LEU 284 CO 0.14 0.15 0.00 0.18 0.09 0.00 0.00 178.44 179.00 2jj1 n LEU 285 N -3.93 0.00 -0.94 1.67 4.77 -0.80 -4.88 117.00 112.89 2jj1 n LEU 285 Ca -0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 2jj1 n LEU 285 Cb 0.24 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2jj1 n LEU 285 CO 0.33 0.00 -0.12 0.54 -1.33 0.00 0.00 177.39 176.81 2jj1 n ARG 286 N -0.59 -1.02 -2.83 3.23 5.12 -0.47 -5.00 116.66 115.11 2jj1 n ARG 286 Ca 0.04 0.91 -0.42 0.00 -1.93 0.00 0.00 57.85 56.45 2jj1 n ARG 286 Cb 0.02 -4.99 -0.04 0.00 -1.16 0.00 0.00 32.46 26.28 2jj1 n ARG 286 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2jj1 s ARG 287 N -2.96 3.92 0.25 5.56 0.52 -0.71 -5.00 118.95 120.54 2jj1 s ARG 287 Ca 0.00 0.66 -0.31 0.00 -0.52 0.00 0.00 55.73 55.56 2jj1 s ARG 287 Cb 0.00 -3.77 -0.13 0.00 0.52 0.00 0.00 34.95 31.58 2jj1 s ARG 287 CO 0.00 -0.84 1.50 -2.30 0.02 0.00 0.00 175.30 173.68 2jj1 n PRO 288 N 6.57 2.31 -1.53 3.54 -0.02 -1.26 -4.37 135.00 140.24 2jj1 n PRO 288 Ca 0.07 0.82 -0.35 0.00 -2.02 0.00 0.00 63.50 62.02 2jj1 n PRO 288 Cb 0.48 -2.54 0.09 0.00 -0.02 0.00 0.00 33.50 31.50 2jj1 n PRO 288 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jj1 s PRO 289 N -0.29 2.25 0.00 0.52 0.04 -1.26 -4.74 135.00 131.52 2jj1 s PRO 289 Ca 0.68 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2jj1 s PRO 289 Cb -0.59 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2jj1 s PRO 289 CO 0.48 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 176.14 2jj1 n GLY 290 N 0.68 4.96 3.68 0.56 0.00 0.65 -4.94 105.19 110.78 2jj1 n GLY 290 Ca 0.15 -1.77 -0.46 0.00 0.00 0.00 0.00 46.02 43.95 2jj1 n GLY 290 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jj1 n ARG 291 N 0.00 2.26 -2.64 1.61 0.63 -1.24 -0.61 116.66 116.66 2jj1 n ARG 291 Ca 0.00 0.82 -0.19 0.00 -0.92 0.00 0.00 57.85 57.56 2jj1 n ARG 291 Cb 0.00 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.31 2jj1 n ARG 291 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jj1 n GLU 292 N 3.82 -2.69 0.00 -0.14 1.02 -1.26 -2.51 120.64 118.87 2jj1 n GLU 292 Ca 0.17 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 2jj1 n GLU 292 Cb 0.30 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 2jj1 n GLU 292 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jj1 n ALA 293 N -2.56 0.00 -1.43 0.62 0.00 0.21 -4.97 120.51 112.39 2jj1 n ALA 293 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 2jj1 n ALA 293 Cb 0.63 -0.09 0.07 0.00 0.00 0.00 0.00 19.45 20.06 2jj1 n ALA 293 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2jj1 s TYR 294 N -1.62 2.41 1.17 0.00 1.51 -1.04 -4.16 117.35 115.61 2jj1 s TYR 294 Ca 0.00 1.57 -0.17 0.00 -1.01 0.00 0.00 57.07 57.47 2jj1 s TYR 294 Cb 0.00 -3.27 0.27 0.00 -0.11 0.00 0.00 41.96 38.85 2jj1 s TYR 294 CO 0.00 -2.01 1.07 -2.14 -1.11 0.00 0.00 175.55 171.36 2jj1 s PRO 295 N -4.07 -0.92 0.36 -1.71 0.02 -1.26 -0.25 135.00 127.18 2jj1 s PRO 295 Ca 0.69 0.23 0.15 0.00 0.02 0.00 0.00 61.00 62.09 2jj1 s PRO 295 Cb -0.23 -1.61 0.69 0.00 0.02 0.00 0.00 34.50 33.37 2jj1 s PRO 295 CO 0.43 -3.57 1.77 0.78 -0.33 0.00 0.00 177.00 176.08 2jj1 h GLY 296 N -2.49 0.00 -3.58 0.52 0.00 -1.92 -3.11 103.07 92.49 2jj1 h GLY 296 Ca -0.50 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.38 2jj1 h GLY 296 CO 0.43 0.00 0.50 2.09 0.00 0.00 0.00 176.54 179.56 2jj1 n ASP 297 N -3.83 3.56 -0.05 0.19 3.85 -1.26 -4.58 116.55 114.43 2jj1 n ASP 297 Ca -0.01 -3.66 0.02 0.00 -0.71 0.00 0.00 54.79 50.43 2jj1 n ASP 297 Cb 0.47 -0.80 0.36 0.00 -1.35 0.00 0.00 41.12 39.80 2jj1 n ASP 297 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 2jj1 h VAL 298 N 1.00 1.14 0.74 2.12 3.04 -1.91 -1.28 116.25 121.10 2jj1 h VAL 298 Ca 0.55 -0.34 -0.03 0.00 -1.01 0.00 0.00 66.70 65.87 2jj1 h VAL 298 Cb 2.56 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 2jj1 h VAL 298 CO 0.97 0.15 -0.41 0.15 -1.01 0.00 0.00 177.57 177.41 2jj1 h PHE 299 N 0.65 -1.09 -1.06 3.17 3.57 -1.89 -3.00 116.94 117.30 2jj1 h PHE 299 Ca 0.17 -0.02 0.28 0.00 3.53 0.00 0.00 57.97 61.93 2jj1 h PHE 299 Cb -0.00 0.38 -0.10 0.00 2.79 0.00 0.00 35.95 39.02 2jj1 h PHE 299 CO 0.00 -0.64 0.67 -0.92 -2.23 0.00 0.00 178.31 175.20 2jj1 h TYR 300 N -1.07 0.68 -0.47 0.41 3.20 -1.80 0.55 116.97 118.47 2jj1 h TYR 300 Ca -0.10 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.89 2jj1 h TYR 300 Cb 0.85 -0.20 -0.10 0.00 1.54 0.00 0.00 36.73 38.83 2jj1 h TYR 300 CO -0.07 0.03 -0.17 1.25 -1.64 0.00 0.00 178.16 177.56 2jj1 h LEU 301 N 0.38 -0.61 0.00 2.82 5.85 -1.10 -1.71 115.31 120.95 2jj1 h LEU 301 Ca 0.62 0.16 -0.23 0.00 0.84 0.00 0.00 57.88 59.27 2jj1 h LEU 301 Cb 1.57 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 42.92 2jj1 h LEU 301 CO -0.33 -0.21 -1.42 0.45 -0.34 0.00 0.00 178.44 176.59 2jj1 h HIS 302 N -0.07 0.00 -0.40 1.25 3.86 -0.95 -3.30 115.15 115.54 2jj1 h HIS 302 Ca 0.23 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2jj1 h HIS 302 Cb 0.42 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2jj1 h HIS 302 CO -0.45 0.85 0.25 0.66 0.86 0.00 0.00 177.93 180.09 2jj1 h SER 303 N 0.00 0.48 0.27 2.45 4.64 0.37 -2.10 113.55 119.66 2jj1 h SER 303 Ca -0.18 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 60.93 2jj1 h SER 303 Cb 1.81 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.77 2jj1 h SER 303 CO 0.08 0.39 -0.59 0.08 -0.87 0.00 0.00 176.83 175.92 2jj1 h ARG 304 N 0.53 0.32 -0.73 4.77 0.11 -1.47 -2.45 114.38 115.47 2jj1 h ARG 304 Ca 0.14 -0.22 -0.03 0.00 0.10 0.00 0.00 59.98 59.98 2jj1 h ARG 304 Cb -0.00 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.07 2jj1 h ARG 304 CO -0.03 0.82 0.34 1.25 0.10 0.00 0.00 179.97 182.46 2jj1 h LEU 305 N 0.24 0.96 0.00 0.08 5.85 -1.59 -3.28 115.31 117.58 2jj1 h LEU 305 Ca -0.00 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 2jj1 h LEU 305 Cb 1.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2jj1 h LEU 305 CO 0.10 0.83 -1.15 -0.07 -0.34 0.00 0.00 178.44 177.81 2jj1 h LEU 306 N 1.02 0.00 -2.24 2.25 3.38 -1.28 -3.23 115.31 115.21 2jj1 h LEU 306 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2jj1 h LEU 306 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2jj1 h LEU 306 CO -0.03 0.46 -0.02 -0.33 0.09 0.00 0.00 178.44 178.61 2jj1 h GLU 307 N 0.00 0.00 0.00 1.13 4.39 -1.49 -1.77 114.58 116.83 2jj1 h GLU 307 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2jj1 h GLU 307 Cb 1.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2jj1 h GLU 307 CO 0.04 0.02 0.00 0.00 -1.16 0.00 0.00 179.01 177.91 2jj1 h ARG 308 N 0.00 0.00 -6.48 2.33 3.08 -1.65 -3.41 114.38 108.24 2jj1 h ARG 308 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2jj1 h ARG 308 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.11 2jj1 h ARG 308 CO 0.00 0.00 0.65 0.00 -1.07 0.00 0.00 179.97 179.55 2jj1 s ALA 309 N -3.53 3.48 -0.12 0.04 0.00 -0.67 -4.83 121.76 116.13 2jj1 s ALA 309 Ca 0.03 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.61 2jj1 s ALA 309 Cb 0.08 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.83 2jj1 s ALA 309 CO 0.57 -0.56 1.03 0.00 0.00 0.00 0.00 175.76 176.80 2jj1 s ALA 310 N 1.26 -1.94 -0.22 0.00 0.00 0.17 -4.87 121.76 116.17 2jj1 s ALA 310 Ca 0.61 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.95 2jj1 s ALA 310 Cb -0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2jj1 s ALA 310 CO 0.29 -0.49 -0.05 0.21 0.00 0.00 0.00 175.76 175.72 2jj1 s LYS 311 N -2.06 3.38 0.38 0.00 2.47 -1.26 -0.03 119.74 122.61 2jj1 s LYS 311 Ca 0.04 -0.63 -0.06 0.00 -1.56 0.00 0.00 55.97 53.76 2jj1 s LYS 311 Cb -0.01 -3.00 -0.05 0.00 -1.46 0.00 0.00 37.83 33.31 2jj1 s LYS 311 CO -0.04 -0.19 0.67 -1.64 0.16 0.00 0.00 175.35 174.32 2jj1 s MET 312 N 1.44 3.64 0.71 4.03 -1.94 -0.55 -2.54 119.30 124.09 2jj1 s MET 312 Ca 0.05 0.15 -0.04 0.00 -1.71 0.00 0.00 55.69 54.14 2jj1 s MET 312 Cb -0.14 -2.51 0.09 0.00 2.01 0.00 0.00 34.83 34.28 2jj1 s MET 312 CO -0.03 0.03 0.99 0.54 -0.01 0.00 0.00 175.02 176.54 2jj1 s ASN 313 N -3.49 4.58 0.21 3.03 2.20 0.11 -4.22 114.94 117.37 2jj1 s ASN 313 Ca 0.46 0.10 -0.10 0.00 -0.94 0.00 0.00 52.86 52.38 2jj1 s ASN 313 Cb -0.10 -0.65 0.18 0.00 -2.00 0.00 0.00 41.25 38.68 2jj1 s ASN 313 CO 0.35 -1.71 1.86 0.44 -2.94 0.00 0.00 177.10 175.10 2jj1 h ASP 314 N -0.55 0.76 -0.69 3.54 3.32 -1.91 0.33 116.42 121.22 2jj1 h ASP 314 Ca -0.42 -0.01 0.19 0.00 0.02 0.00 0.00 57.03 56.82 2jj1 h ASP 314 Cb 1.29 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 2jj1 h ASP 314 CO 0.50 0.53 0.49 0.00 -1.72 0.00 0.00 179.24 179.04 2jj1 h ALA 315 N 1.29 2.59 -0.02 3.45 0.00 -1.95 -1.00 119.26 123.63 2jj1 h ALA 315 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jj1 h ALA 315 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jj1 h ALA 315 CO -0.10 -0.79 -0.13 1.19 0.00 0.00 0.00 179.25 179.42 2jj1 n PHE 316 N -4.35 0.00 0.00 0.00 3.01 -0.03 -4.98 117.46 111.11 2jj1 n PHE 316 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2jj1 n PHE 316 Cb 0.73 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 2jj1 n PHE 316 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jj1 n GLY 317 N 1.31 1.45 2.79 1.37 0.00 -0.37 -4.70 105.19 107.03 2jj1 n GLY 317 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2jj1 n GLY 317 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jj1 n GLY 318 N 0.00 1.87 3.74 -0.02 0.00 -0.89 -3.96 105.19 105.93 2jj1 n GLY 318 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2jj1 n GLY 318 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jj1 s GLY 319 N -1.96 1.66 0.03 -0.02 0.00 -1.25 -4.71 107.32 101.07 2jj1 s GLY 319 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.83 2jj1 s GLY 319 CO 0.00 0.57 0.11 -1.35 0.00 0.00 0.00 173.10 172.44 2jj1 s SER 320 N -3.36 0.13 -0.13 1.64 1.04 -0.80 -1.47 113.70 110.75 2jj1 s SER 320 Ca 0.62 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.61 2jj1 s SER 320 Cb -0.18 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2jj1 s SER 320 CO 0.56 -0.49 -0.14 -0.22 0.98 0.00 0.00 173.24 173.94 2jj1 s LEU 321 N -1.98 1.64 -0.12 2.42 2.96 0.96 -2.23 118.68 122.33 2jj1 s LEU 321 Ca -0.07 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2jj1 s LEU 321 Cb -0.02 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 2jj1 s LEU 321 CO -0.03 -0.03 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.99 2jj1 s THR 322 N 1.30 3.54 0.07 3.68 2.01 -0.56 -0.66 115.64 125.03 2jj1 s THR 322 Ca 0.00 -0.50 0.10 0.00 0.31 0.00 0.00 61.69 61.60 2jj1 s THR 322 Cb -0.14 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2jj1 s THR 322 CO -0.07 0.53 -0.26 0.00 -0.69 0.00 0.00 174.62 174.13 2jj1 s ALA 323 N 0.05 2.27 -0.46 7.40 0.00 -0.37 -0.71 121.76 129.93 2jj1 s ALA 323 Ca -0.02 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.64 2jj1 s ALA 323 Cb -0.14 -0.43 0.16 0.00 0.00 0.00 0.00 23.12 22.71 2jj1 s ALA 323 CO 0.03 0.53 0.33 -0.51 0.00 0.00 0.00 175.76 176.14 2jj1 s LEU 324 N -1.52 2.18 0.65 0.00 1.43 -0.66 -1.38 118.68 119.39 2jj1 s LEU 324 Ca 0.12 -2.98 -0.16 0.00 -1.03 0.00 0.00 54.13 50.08 2jj1 s LEU 324 Cb -0.10 -0.75 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 2jj1 s LEU 324 CO 0.03 -0.20 1.17 -2.16 0.23 0.00 0.00 176.35 175.43 2jj1 s PRO 325 N 0.01 2.67 -0.07 1.29 0.04 -1.25 -2.74 135.00 134.95 2jj1 s PRO 325 Ca 0.26 1.66 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2jj1 s PRO 325 Cb -0.07 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2jj1 s PRO 325 CO -0.12 -1.41 -0.24 0.08 0.04 0.00 0.00 177.00 175.35 2jj1 s VAL 326 N -1.95 1.99 -0.04 -0.36 1.01 -0.18 -1.13 120.40 119.74 2jj1 s VAL 326 Ca 0.73 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2jj1 s VAL 326 Cb -0.27 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2jj1 s VAL 326 CO 0.39 0.55 -0.06 -0.63 0.00 0.00 0.00 175.10 175.35 2jj1 s ILE 327 N -0.02 0.63 -0.06 2.22 -1.09 -0.86 -0.67 121.20 121.35 2jj1 s ILE 327 Ca -0.07 -0.22 -0.15 0.00 -2.23 0.00 0.00 60.65 57.98 2jj1 s ILE 327 Cb -0.15 -0.61 -0.05 0.00 -1.58 0.00 0.00 42.46 40.08 2jj1 s ILE 327 CO 0.05 0.23 0.39 -0.70 -1.23 0.00 0.00 174.94 173.67 2jj1 s GLU 328 N 0.58 4.05 0.31 2.79 2.12 -1.26 -2.68 118.70 124.61 2jj1 s GLU 328 Ca -0.08 0.33 0.05 0.00 0.36 0.00 0.00 54.97 55.62 2jj1 s GLU 328 Cb -0.12 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 2jj1 s GLU 328 CO 0.01 0.49 0.45 0.95 -0.54 0.00 0.00 175.26 176.62 2jj1 s THR 329 N -0.40 4.67 -0.34 -1.70 -4.23 -0.27 -4.91 115.64 108.45 2jj1 s THR 329 Ca 0.22 -0.89 -0.08 0.00 -1.18 0.00 0.00 61.69 59.77 2jj1 s THR 329 Cb -0.15 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.07 2jj1 s THR 329 CO 0.10 -0.29 0.13 -1.10 -0.54 0.00 0.00 174.62 172.93 2jj1 s GLN 330 N -4.15 2.76 -1.18 3.99 -1.52 -1.26 -4.36 119.66 113.94 2jj1 s GLN 330 Ca 0.40 -1.09 -0.02 0.00 -1.95 0.00 0.00 55.36 52.70 2jj1 s GLN 330 Cb -0.09 -3.53 -0.02 0.00 -0.22 0.00 0.00 33.01 29.15 2jj1 s GLN 330 CO 0.31 -0.64 0.92 0.00 -0.25 0.00 0.00 175.29 175.63 2jj1 n ALA 331 N 4.88 -2.15 -2.17 6.09 0.00 -1.26 -3.35 120.51 122.56 2jj1 n ALA 331 Ca -0.13 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 2jj1 n ALA 331 Cb 0.46 -3.16 -0.03 0.00 0.00 0.00 0.00 19.45 16.71 2jj1 n ALA 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jj1 n GLY 332 N -1.26 0.22 3.25 0.00 0.00 -1.26 -4.95 105.19 101.19 2jj1 n GLY 332 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2jj1 n GLY 332 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jj1 n ASP 333 N -1.81 5.29 0.00 1.61 4.64 -1.21 -4.84 116.55 120.23 2jj1 n ASP 333 Ca -0.23 -3.09 0.00 0.00 -1.38 0.00 0.00 54.79 50.09 2jj1 n ASP 333 Cb 0.68 -1.29 0.02 0.00 -1.04 0.00 0.00 41.12 39.49 2jj1 n ASP 333 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 2jj1 n VAL 334 N 2.46 1.81 1.16 5.18 0.24 -1.26 -2.50 118.33 125.42 2jj1 n VAL 334 Ca 0.24 0.45 0.12 0.00 -2.04 0.00 0.00 64.34 63.11 2jj1 n VAL 334 Cb 0.38 -1.44 0.22 0.00 -1.47 0.00 0.00 33.84 31.53 2jj1 n VAL 334 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2jj1 n SER 335 N -1.47 2.01 -4.78 -1.34 7.64 -1.26 -4.12 113.62 110.30 2jj1 n SER 335 Ca 0.00 -1.54 -0.30 0.00 1.01 0.00 0.00 58.87 58.04 2jj1 n SER 335 Cb 0.01 0.16 0.10 0.00 -1.01 0.00 0.00 64.21 63.47 2jj1 n SER 335 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jj1 s ALA 336 N -2.23 2.15 0.15 -0.43 0.00 -1.04 -4.73 121.76 115.63 2jj1 s ALA 336 Ca 0.27 -0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 2jj1 s ALA 336 Cb 0.20 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 2jj1 s ALA 336 CO 0.43 -1.80 1.57 -0.92 0.00 0.00 0.00 175.76 175.04 2jj1 h TYR 337 N -1.14 -1.33 0.61 0.00 3.20 -1.93 -0.28 116.97 116.10 2jj1 h TYR 337 Ca -0.47 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.45 2jj1 h TYR 337 Cb 1.26 0.65 0.01 0.00 1.54 0.00 0.00 36.73 40.18 2jj1 h TYR 337 CO 0.49 -0.44 -0.29 0.82 -1.64 0.00 0.00 178.16 177.09 2jj1 h ILE 338 N -0.31 0.23 -0.91 1.81 5.03 -1.98 -1.97 117.51 119.42 2jj1 h ILE 338 Ca 0.14 -0.32 0.16 0.00 -0.12 0.00 0.00 64.86 64.72 2jj1 h ILE 338 Cb 0.58 0.31 -0.16 0.00 -3.03 0.00 0.00 36.82 34.52 2jj1 h ILE 338 CO -0.61 0.03 -0.31 -0.65 -0.68 0.00 0.00 178.15 175.93 2jj1 h PRO 339 N -1.08 -0.02 -0.45 2.37 0.11 -1.86 -2.18 132.00 128.89 2jj1 h PRO 339 Ca -0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 2jj1 h PRO 339 Cb 0.68 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 2jj1 h PRO 339 CO 0.14 -0.01 0.17 1.79 -0.21 0.00 0.00 178.00 179.87 2jj1 h THR 340 N -0.02 1.21 -0.93 -1.15 1.35 -1.00 -1.43 112.91 110.94 2jj1 h THR 340 Ca 0.38 -0.67 0.17 0.00 -0.55 0.00 0.00 66.41 65.74 2jj1 h THR 340 Cb 0.63 0.80 -0.17 0.00 -1.73 0.00 0.00 68.15 67.68 2jj1 h THR 340 CO -0.93 0.24 -0.28 0.78 -0.25 0.00 0.00 175.52 175.08 2jj1 h ASN 341 N 0.59 -1.04 -0.09 5.36 4.21 -0.73 -0.03 115.58 123.85 2jj1 h ASN 341 Ca 0.15 0.29 -0.07 0.00 1.21 0.00 0.00 56.30 57.88 2jj1 h ASN 341 Cb 0.22 0.63 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 2jj1 h ASN 341 CO -0.01 -0.30 -0.22 0.58 -1.29 0.00 0.00 177.43 176.18 2jj1 h VAL 342 N -0.01 1.41 -0.99 2.81 2.07 -1.05 -2.93 116.25 117.56 2jj1 h VAL 342 Ca 0.41 -1.56 0.23 0.00 0.82 0.00 0.00 66.70 66.61 2jj1 h VAL 342 Cb 0.66 2.19 -0.12 0.00 -1.52 0.00 0.00 31.29 32.50 2jj1 h VAL 342 CO -0.96 0.45 0.57 0.40 0.02 0.00 0.00 177.57 178.05 2jj1 h ILE 343 N -0.16 0.56 0.00 4.57 2.04 -1.02 0.34 117.51 123.83 2jj1 h ILE 343 Ca -0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2jj1 h ILE 343 Cb 0.83 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2jj1 h ILE 343 CO 0.05 0.11 0.00 -1.54 0.00 0.00 0.00 178.15 176.77 2jj1 n SER 344 N -4.89 0.00 -0.13 1.72 3.41 -0.05 -3.15 113.62 110.54 2jj1 n SER 344 Ca 0.26 -0.37 -0.27 0.00 -0.26 0.00 0.00 58.87 58.23 2jj1 n SER 344 Cb 0.70 -0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 2jj1 n SER 344 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2jj1 n ILE 345 N -1.13 1.41 -0.70 -1.33 5.41 0.11 -5.05 119.36 118.08 2jj1 n ILE 345 Ca 0.13 -0.34 -0.30 0.00 1.00 0.00 0.00 62.75 63.24 2jj1 n ILE 345 Cb 0.11 -1.87 0.19 0.00 -0.71 0.00 0.00 39.64 37.36 2jj1 n ILE 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2jj1 s THR 346 N -2.48 2.13 -0.48 1.39 -4.23 -0.67 -4.93 115.64 106.38 2jj1 s THR 346 Ca -0.35 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.18 2jj1 s THR 346 Cb 0.13 -2.11 0.22 0.00 1.34 0.00 0.00 72.50 72.08 2jj1 s THR 346 CO 0.45 -0.06 2.26 0.47 -0.54 0.00 0.00 174.62 177.20 2jj1 n ASP 347 N -4.38 6.80 0.00 3.99 8.00 0.17 -4.96 116.55 126.17 2jj1 n ASP 347 Ca 0.09 -3.32 0.00 0.00 0.71 0.00 0.00 54.79 52.28 2jj1 n ASP 347 Cb 0.53 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 2jj1 n ASP 347 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jj1 n GLY 348 N 0.20 2.69 3.32 0.44 0.00 -1.24 -1.09 105.19 109.51 2jj1 n GLY 348 Ca 0.44 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 2jj1 n GLY 348 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jj1 s GLN 349 N -1.91 0.56 -0.37 1.61 0.00 -1.00 -1.43 119.66 117.12 2jj1 s GLN 349 Ca 0.00 0.46 -0.13 0.00 -0.00 0.00 0.00 55.36 55.69 2jj1 s GLN 349 Cb 0.00 0.27 0.01 0.00 0.00 0.00 0.00 33.01 33.29 2jj1 s GLN 349 CO 0.00 -0.09 0.25 0.42 0.00 0.00 0.00 175.29 175.86 2jj1 s ILE 350 N -0.09 5.04 -0.26 3.63 1.01 0.37 -1.50 121.20 129.40 2jj1 s ILE 350 Ca -0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 2jj1 s ILE 350 Cb -0.03 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2jj1 s ILE 350 CO 0.02 -0.17 0.12 0.12 0.00 0.00 0.00 174.94 175.03 2jj1 s PHE 351 N 1.66 3.15 -0.08 3.97 5.36 -1.26 -0.35 117.98 130.43 2jj1 s PHE 351 Ca 0.05 -0.16 -0.06 0.00 -0.96 0.00 0.00 56.93 55.79 2jj1 s PHE 351 Cb -0.18 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.16 2jj1 s PHE 351 CO 0.09 -0.26 0.17 -0.51 -1.46 0.00 0.00 175.22 173.26 2jj1 s LEU 352 N 1.65 4.39 0.02 6.12 1.43 0.11 -1.17 118.68 131.23 2jj1 s LEU 352 Ca 0.07 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 2jj1 s LEU 352 Cb -0.15 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 2jj1 s LEU 352 CO 0.07 0.36 -0.15 -1.61 0.23 0.00 0.00 176.35 175.25 2jj1 s GLU 353 N -1.29 1.08 0.09 1.70 2.02 -0.47 -4.07 118.70 117.76 2jj1 s GLU 353 Ca 0.19 -0.67 -0.15 0.00 0.02 0.00 0.00 54.97 54.36 2jj1 s GLU 353 Cb -0.12 -1.08 -0.14 0.00 0.10 0.00 0.00 34.13 32.89 2jj1 s GLU 353 CO 0.09 0.28 1.32 1.79 0.02 0.00 0.00 175.26 178.76 2jj1 h THR 354 N 4.61 1.31 -0.74 3.63 1.35 -1.94 -1.27 112.91 119.86 2jj1 h THR 354 Ca -0.37 -1.76 0.16 0.00 -0.55 0.00 0.00 66.41 63.89 2jj1 h THR 354 Cb 1.17 1.89 -0.11 0.00 -1.73 0.00 0.00 68.15 69.37 2jj1 h THR 354 CO 0.46 0.55 0.19 -0.08 -0.25 0.00 0.00 175.52 176.39 2jj1 h GLU 355 N 0.40 0.27 0.42 4.72 4.81 -1.98 0.99 114.58 124.22 2jj1 h GLU 355 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2jj1 h GLU 355 Cb 1.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2jj1 h GLU 355 CO 0.11 0.18 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.30 2jj1 h LEU 356 N 0.28 -0.48 -0.84 1.64 3.38 -1.85 -1.65 115.31 115.78 2jj1 h LEU 356 Ca 0.42 -0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.44 2jj1 h LEU 356 Cb 0.71 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.43 2jj1 h LEU 356 CO -0.50 -0.14 -0.25 0.15 0.09 0.00 0.00 178.44 177.78 2jj1 h PHE 357 N -0.85 -0.59 0.00 1.13 3.57 -0.32 0.17 116.94 120.04 2jj1 h PHE 357 Ca -0.06 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2jj1 h PHE 357 Cb 0.55 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2jj1 h PHE 357 CO 0.01 -0.38 0.00 1.88 -2.23 0.00 0.00 178.31 177.59 2jj1 h TYR 358 N -0.02 0.00 0.00 0.41 0.99 -0.87 -2.77 116.97 114.71 2jj1 h TYR 358 Ca 0.38 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.11 2jj1 h TYR 358 Cb 0.61 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.34 2jj1 h TYR 358 CO -0.69 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 178.34 2jj1 h LYS 359 N 0.00 0.00 0.00 4.88 1.57 0.33 -3.46 116.57 119.89 2jj1 h LYS 359 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jj1 h LYS 359 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2jj1 h LYS 359 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2jj1 n GLY 360 N 0.28 0.74 3.56 3.86 0.00 -0.85 -5.03 105.19 107.74 2jj1 n GLY 360 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2jj1 n GLY 360 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj1 s ILE 361 N -2.00 3.78 -0.12 -0.61 -1.09 -0.99 -4.94 121.20 115.23 2jj1 s ILE 361 Ca 0.00 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 2jj1 s ILE 361 Cb 0.00 -4.74 0.02 0.00 -1.58 0.00 0.00 42.46 36.16 2jj1 s ILE 361 CO 0.00 -1.60 -0.10 -0.13 -1.23 0.00 0.00 174.94 171.88 2jj1 s ARG 362 N 5.57 1.76 0.31 2.79 0.52 -1.26 -2.54 118.95 126.09 2jj1 s ARG 362 Ca 0.55 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.12 2jj1 s ARG 362 Cb -0.01 -1.71 -0.12 0.00 0.52 0.00 0.00 34.95 33.63 2jj1 s ARG 362 CO -0.04 -0.22 1.46 -0.35 0.02 0.00 0.00 175.30 176.18 2jj1 n PRO 363 N 4.76 2.42 -1.31 3.54 -0.04 -1.25 -1.22 135.00 141.89 2jj1 n PRO 363 Ca -0.15 0.86 -0.24 0.00 -0.04 0.00 0.00 63.50 63.92 2jj1 n PRO 363 Cb 0.50 -2.56 -0.09 0.00 -0.04 0.00 0.00 33.50 31.31 2jj1 n PRO 363 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jj1 n ALA 364 N 1.34 6.68 -2.57 0.55 0.00 -1.05 -4.92 120.51 120.55 2jj1 n ALA 364 Ca 0.07 -2.75 -0.42 0.00 0.00 0.00 0.00 53.44 50.34 2jj1 n ALA 364 Cb 0.36 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 2jj1 n ALA 364 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jj1 s ILE 365 N 0.07 4.49 -0.25 0.00 1.01 -1.26 -1.37 121.20 123.89 2jj1 s ILE 365 Ca 0.64 1.79 -0.25 0.00 0.00 0.00 0.00 60.65 62.82 2jj1 s ILE 365 Cb 0.29 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 2jj1 s ILE 365 CO -0.08 0.03 0.87 0.21 0.00 0.00 0.00 174.94 175.97 2jj1 s ASN 366 N 1.24 6.85 0.05 3.58 3.84 -0.32 -4.96 114.94 125.23 2jj1 s ASN 366 Ca 0.53 1.04 -0.15 0.00 0.21 0.00 0.00 52.86 54.49 2jj1 s ASN 366 Cb -0.23 -2.45 -0.31 0.00 -0.55 0.00 0.00 41.25 37.72 2jj1 s ASN 366 CO 0.22 -0.57 1.08 0.58 -2.79 0.00 0.00 177.10 175.62 2jj1 h VAL 367 N 5.47 1.28 -0.75 -5.21 2.07 -1.91 -2.60 116.25 114.61 2jj1 h VAL 367 Ca -0.22 -2.51 0.02 0.00 0.82 0.00 0.00 66.70 64.80 2jj1 h VAL 367 Cb 1.09 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 33.58 2jj1 h VAL 367 CO 0.90 0.76 0.48 1.23 0.02 0.00 0.00 177.57 180.96 2jj1 h GLY 368 N 0.27 1.07 0.92 2.17 0.00 -1.92 -3.31 103.07 102.27 2jj1 h GLY 368 Ca -0.20 -0.37 -0.21 0.00 0.00 0.00 0.00 47.33 46.55 2jj1 h GLY 368 CO 0.25 0.34 -1.55 1.04 0.00 0.00 0.00 176.54 176.62 2jj1 n LEU 369 N -4.60 0.81 -4.78 3.11 4.77 -1.23 -4.86 117.00 110.22 2jj1 n LEU 369 Ca 0.08 0.36 -0.34 0.00 -0.03 0.00 0.00 56.01 56.08 2jj1 n LEU 369 Cb 0.06 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2jj1 n LEU 369 CO 0.34 0.22 0.76 -0.44 -1.33 0.00 0.00 177.39 176.94 2jj1 s SER 370 N -5.82 5.74 0.28 -1.43 0.01 -0.98 -4.87 113.70 106.62 2jj1 s SER 370 Ca -0.04 2.07 -0.11 0.00 1.31 0.00 0.00 55.95 59.18 2jj1 s SER 370 Cb 0.08 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2jj1 s SER 370 CO 0.82 -1.20 0.49 0.68 0.41 0.00 0.00 173.24 174.44 2jj1 s VAL 371 N -1.97 0.00 -0.03 3.43 -7.23 -0.56 -4.92 120.40 109.12 2jj1 s VAL 371 Ca 0.70 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2jj1 s VAL 371 Cb -0.21 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.38 2jj1 s VAL 371 CO 0.29 0.00 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.45 2jj1 s SER 372 N -3.07 1.15 0.00 4.85 0.15 -1.26 -2.37 113.70 113.15 2jj1 s SER 372 Ca 0.24 -0.18 0.26 0.00 0.70 0.00 0.00 55.95 56.97 2jj1 s SER 372 Cb -0.01 -0.38 0.59 0.00 -1.71 0.00 0.00 66.02 64.51 2jj1 s SER 372 CO 0.12 0.03 1.46 0.54 1.20 0.00 0.00 173.24 176.59 2jj1 n ARG 373 N 3.49 1.00 -0.06 5.44 1.74 -0.25 -3.90 116.66 124.12 2jj1 n ARG 373 Ca -0.20 -0.66 -0.04 0.00 -0.77 0.00 0.00 57.85 56.18 2jj1 n ARG 373 Cb 0.53 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 2jj1 n ARG 373 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jj1 n VAL 374 N -0.43 1.07 -3.95 1.55 0.31 -1.26 -5.05 118.33 110.57 2jj1 n VAL 374 Ca 0.12 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2jj1 n VAL 374 Cb 0.38 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 2jj1 n VAL 374 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jj1 n GLY 375 N 1.59 0.99 0.43 2.92 0.00 -1.25 -3.24 105.19 106.63 2jj1 n GLY 375 Ca -0.23 -0.62 0.23 0.00 0.00 0.00 0.00 46.02 45.40 2jj1 n GLY 375 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jj1 h SER 376 N 6.46 0.00 -0.01 1.61 4.64 -1.95 -1.10 113.55 123.20 2jj1 h SER 376 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jj1 h SER 376 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jj1 h SER 376 CO 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 176.83 175.97 2jj1 h ALA 377 N 1.16 1.25 -0.02 5.18 0.00 -1.89 0.64 119.26 125.58 2jj1 h ALA 377 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jj1 h ALA 377 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2jj1 h ALA 377 CO -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 179.25 179.13 2jj1 n ALA 378 N -2.18 2.76 -2.78 0.00 0.00 -0.42 -4.36 120.51 113.53 2jj1 n ALA 378 Ca -0.03 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.61 2jj1 n ALA 378 Cb 0.09 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 2jj1 n ALA 378 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jj1 s GLN 379 N -2.17 2.90 1.03 0.00 -0.21 0.21 -3.64 119.66 117.79 2jj1 s GLN 379 Ca 0.31 -0.68 -0.11 0.00 0.02 0.00 0.00 55.36 54.90 2jj1 s GLN 379 Cb 0.20 -2.74 0.21 0.00 1.00 0.00 0.00 33.01 31.69 2jj1 s GLN 379 CO 0.40 0.57 1.09 0.95 -2.12 0.00 0.00 175.29 176.17 2jj1 s THR 380 N -1.38 2.08 0.20 -0.19 -4.23 -1.26 -4.84 115.64 106.02 2jj1 s THR 380 Ca 0.29 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.72 2jj1 s THR 380 Cb -0.12 -2.08 0.13 0.00 1.34 0.00 0.00 72.50 71.77 2jj1 s THR 380 CO 0.22 -0.03 1.85 -0.09 -0.54 0.00 0.00 174.62 176.02 2jj1 h ARG 381 N -2.23 0.95 -0.41 3.99 9.65 -1.84 -2.50 114.38 121.99 2jj1 h ARG 381 Ca -0.52 -0.08 0.06 0.00 -1.10 0.00 0.00 59.98 58.34 2jj1 h ARG 381 Cb 1.30 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 29.62 2jj1 h ARG 381 CO 0.46 0.66 0.10 0.00 2.80 0.00 0.00 179.97 183.99 2jj1 h ALA 382 N 1.24 0.45 -0.10 2.80 0.00 -0.64 0.32 119.26 123.33 2jj1 h ALA 382 Ca 0.26 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 2jj1 h ALA 382 Cb -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jj1 h ALA 382 CO -0.05 -0.30 -0.64 1.98 0.00 0.00 0.00 179.25 180.24 2jj1 h MET 383 N 0.23 0.36 -0.48 0.00 1.85 -1.82 -2.88 114.93 112.20 2jj1 h MET 383 Ca 0.20 -0.26 -0.07 0.00 -0.61 0.00 0.00 59.70 58.96 2jj1 h MET 383 Cb 0.23 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 2jj1 h MET 383 CO -0.25 0.88 0.03 -0.22 -0.40 0.00 0.00 176.91 176.95 2jj1 h LYS 384 N 0.26 0.78 -0.41 0.39 3.64 -0.95 -0.33 116.57 119.95 2jj1 h LYS 384 Ca -0.01 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.21 2jj1 h LYS 384 Cb 1.18 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2jj1 h LYS 384 CO 0.11 0.77 0.28 1.96 -2.27 0.00 0.00 179.45 180.30 2jj1 h GLN 385 N 0.74 0.42 0.00 1.90 4.20 -0.73 -1.07 115.11 120.57 2jj1 h GLN 385 Ca 0.15 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.56 2jj1 h GLN 385 Cb 0.41 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 2jj1 h GLN 385 CO 0.01 0.28 -2.23 1.33 -0.67 0.00 0.00 178.83 177.55 2jj1 n VAL 386 N -4.48 1.05 0.69 -0.54 0.24 -1.04 -4.62 118.33 109.63 2jj1 n VAL 386 Ca 0.04 -0.76 0.08 0.00 -2.04 0.00 0.00 64.34 61.65 2jj1 n VAL 386 Cb 0.16 -0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 32.14 2jj1 n VAL 386 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jj1 n ALA 387 N -2.61 3.25 -0.31 2.33 0.00 -0.16 -4.74 120.51 118.26 2jj1 n ALA 387 Ca -0.25 -0.51 0.17 0.00 0.00 0.00 0.00 53.44 52.85 2jj1 n ALA 387 Cb 1.00 -0.54 0.36 0.00 0.00 0.00 0.00 19.45 20.27 2jj1 n ALA 387 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jj1 h GLY 388 N 3.36 1.65 -0.79 0.00 0.00 -1.40 -0.60 103.07 105.29 2jj1 h GLY 388 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2jj1 h GLY 388 CO 0.00 -0.41 0.00 -1.30 0.00 0.00 0.00 176.54 174.83 2jj1 n THR 389 N -5.14 0.05 -0.27 4.70 -2.24 -1.26 -4.71 114.28 105.40 2jj1 n THR 389 Ca 0.26 -0.52 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 2jj1 n THR 389 Cb 0.80 1.17 0.17 0.00 -2.10 0.00 0.00 70.33 70.37 2jj1 n THR 389 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2jj1 h MET 390 N 1.90 0.59 -0.25 -0.78 -1.53 -1.39 -2.46 114.93 111.01 2jj1 h MET 390 Ca 0.00 -0.04 -0.05 0.00 -3.44 0.00 0.00 59.70 56.18 2jj1 h MET 390 Cb 0.42 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.33 2jj1 h MET 390 CO 0.00 0.39 -0.03 -0.22 0.14 0.00 0.00 176.91 177.19 2jj1 h LYS 391 N 0.61 0.46 -0.23 0.39 3.64 -1.85 -0.50 116.57 119.09 2jj1 h LYS 391 Ca 0.40 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 2jj1 h LYS 391 Cb 0.49 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2jj1 h LYS 391 CO -0.31 0.66 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.12 2jj1 h LEU 392 N 0.22 0.50 -0.27 5.20 3.38 -1.91 -2.84 115.31 119.59 2jj1 h LEU 392 Ca 0.07 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2jj1 h LEU 392 Cb 0.47 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2jj1 h LEU 392 CO 0.02 0.81 0.09 -0.33 0.09 0.00 0.00 178.44 179.11 2jj1 h GLU 393 N 0.42 0.20 -0.53 1.13 5.08 -1.12 -1.20 114.58 118.56 2jj1 h GLU 393 Ca 0.05 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2jj1 h GLU 393 Cb 0.79 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2jj1 h GLU 393 CO 0.06 0.13 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.05 2jj1 h LEU 394 N 0.21 0.96 -0.60 1.33 3.38 -1.04 0.36 115.31 119.91 2jj1 h LEU 394 Ca 0.12 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2jj1 h LEU 394 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2jj1 h LEU 394 CO -0.13 1.06 0.09 0.00 0.09 0.00 0.00 178.44 179.56 2jj1 h ALA 395 N 1.02 0.79 -0.80 1.53 0.00 -1.44 -0.61 119.26 119.76 2jj1 h ALA 395 Ca 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2jj1 h ALA 395 Cb 0.63 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jj1 h ALA 395 CO 0.04 0.55 0.34 1.96 0.00 0.00 0.00 179.25 182.14 2jj1 h GLN 396 N 0.89 1.18 -0.43 0.00 1.08 -0.87 -2.83 115.11 114.13 2jj1 h GLN 396 Ca 0.18 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2jj1 h GLN 396 Cb 0.43 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2jj1 h GLN 396 CO 0.01 0.94 0.22 -0.92 -0.95 0.00 0.00 178.83 178.14 2jj1 h TYR 397 N 1.16 0.60 0.00 2.96 3.20 0.36 -2.03 116.97 123.21 2jj1 h TYR 397 Ca 0.27 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 2jj1 h TYR 397 Cb 0.18 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2jj1 h TYR 397 CO 0.02 0.47 -0.30 0.00 -1.64 0.00 0.00 178.16 176.71 2jj1 h ARG 398 N 0.55 0.00 -0.26 1.82 3.08 -1.10 -0.09 114.38 118.38 2jj1 h ARG 398 Ca 0.15 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 2jj1 h ARG 398 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2jj1 h ARG 398 CO -0.02 0.30 -0.51 1.49 -1.07 0.00 0.00 179.97 180.16 2jj1 h GLU 399 N 0.00 0.80 -0.24 0.04 4.22 -1.24 -3.00 114.58 115.16 2jj1 h GLU 399 Ca -0.00 -0.52 -0.20 0.00 0.08 0.00 0.00 59.36 58.72 2jj1 h GLU 399 Cb 0.70 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jj1 h GLU 399 CO 0.04 1.15 -0.62 0.28 -2.18 0.00 0.00 179.01 177.68 2jj1 h VAL 400 N 0.56 1.28 -0.67 0.32 2.07 -0.73 -1.89 116.25 117.19 2jj1 h VAL 400 Ca 0.01 -1.81 0.10 0.00 0.82 0.00 0.00 66.70 65.82 2jj1 h VAL 400 Cb 1.12 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 2jj1 h VAL 400 CO 0.11 0.58 0.29 0.00 0.02 0.00 0.00 177.57 178.57 2jj1 h ALA 401 N 0.67 0.90 -0.05 1.67 0.00 -1.11 0.29 119.26 121.63 2jj1 h ALA 401 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jj1 h ALA 401 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jj1 h ALA 401 CO 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 179.25 179.24 2jj1 h ALA 402 N 1.44 0.07 0.00 0.00 0.00 -1.44 -2.91 119.26 116.42 2jj1 h ALA 402 Ca 0.34 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jj1 h ALA 402 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jj1 h ALA 402 CO -0.31 -0.25 -0.32 0.35 0.00 0.00 0.00 179.25 178.72 2jj1 h PHE 403 N -0.21 0.00 -0.37 0.00 3.57 -1.03 -2.51 116.94 116.40 2jj1 h PHE 403 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2jj1 h PHE 403 Cb 0.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.08 2jj1 h PHE 403 CO 0.04 0.32 0.00 0.00 -2.23 0.00 0.00 178.31 176.44 2jj1 n ALA 404 N -2.41 2.88 0.08 2.41 0.00 0.98 -4.38 120.51 120.07 2jj1 n ALA 404 Ca -0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 53.44 52.47 2jj1 n ALA 404 Cb 0.39 -1.02 0.14 0.00 0.00 0.00 0.00 19.45 18.95 2jj1 n ALA 404 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2jj1 h GLN 405 N 2.32 0.28 -4.51 0.00 4.15 -1.24 -3.29 115.11 112.82 2jj1 h GLN 405 Ca 0.00 -0.17 -0.69 0.00 0.77 0.00 0.00 58.65 58.56 2jj1 h GLN 405 Cb 0.97 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.63 2jj1 h GLN 405 CO 0.15 0.75 2.80 1.97 -1.93 0.00 0.00 178.83 182.56 2jj1 n PHE 406 N -3.93 3.65 -1.62 3.99 1.16 -1.26 -4.94 117.46 114.51 2jj1 n PHE 406 Ca -0.02 -2.81 -0.37 0.00 -1.87 0.00 0.00 57.45 52.38 2jj1 n PHE 406 Cb 0.57 -2.51 -0.03 0.00 -1.61 0.00 0.00 39.48 35.90 2jj1 n PHE 406 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2jj1 s GLY 407 N 3.68 -0.32 0.05 4.97 0.00 -1.24 -4.97 107.32 109.48 2jj1 s GLY 407 Ca 0.50 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 45.19 2jj1 s GLY 407 CO -0.03 4.04 -0.05 -1.35 0.00 0.00 0.00 173.10 175.71 2jj1 s SER 408 N 11.52 0.66 0.00 1.64 1.04 -1.26 -5.10 113.70 122.20 2jj1 s SER 408 Ca 0.94 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2jj1 s SER 408 Cb -0.17 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.05 2jj1 s SER 408 CO 0.26 -0.36 0.00 -0.90 0.98 0.00 0.00 173.24 173.22 2jj1 n ASP 409 N 0.96 0.00 -4.45 7.02 3.85 -1.26 -4.96 116.55 117.70 2jj1 n ASP 409 Ca -0.19 0.00 -0.27 0.00 -0.71 0.00 0.00 54.79 53.62 2jj1 n ASP 409 Cb 0.57 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.23 2jj1 n ASP 409 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2jj1 s LEU 410 N 0.00 2.54 1.00 -2.12 1.43 -1.26 -5.14 118.68 115.13 2jj1 s LEU 410 Ca 0.00 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 2jj1 s LEU 410 Cb 0.00 -1.28 0.19 0.00 0.03 0.00 0.00 46.19 45.14 2jj1 s LEU 410 CO 0.00 0.12 1.10 1.51 0.23 0.00 0.00 176.35 179.31 2jj1 s ASP 411 N -2.67 2.61 0.26 2.29 3.84 -1.26 -4.89 116.67 116.85 2jj1 s ASP 411 Ca 0.21 1.14 0.02 0.00 -0.00 0.00 0.00 52.55 53.92 2jj1 s ASP 411 Cb -0.08 -1.79 0.33 0.00 -1.38 0.00 0.00 42.92 40.00 2jj1 s ASP 411 CO 0.11 -3.14 1.65 0.00 -0.00 0.00 0.00 175.17 173.79 2jj1 h ALA 412 N -1.90 0.98 0.43 2.11 0.00 -2.01 -2.74 119.26 116.14 2jj1 h ALA 412 Ca -0.55 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 2jj1 h ALA 412 Cb 1.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2jj1 h ALA 412 CO 0.58 0.62 -0.44 0.00 0.00 0.00 0.00 179.25 180.01 2jj1 h ALA 413 N 1.24 -0.96 -0.31 0.00 0.00 -2.00 -2.01 119.26 115.22 2jj1 h ALA 413 Ca 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2jj1 h ALA 413 Cb 0.85 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2jj1 h ALA 413 CO 0.07 -1.08 -0.29 1.79 0.00 0.00 0.00 179.25 179.74 2jj1 h THR 414 N -0.88 1.28 -0.82 0.00 1.35 -1.96 -2.36 112.91 109.52 2jj1 h THR 414 Ca -0.04 -1.40 0.02 0.00 -0.55 0.00 0.00 66.41 64.44 2jj1 h THR 414 Cb 0.78 1.36 -0.04 0.00 -1.73 0.00 0.00 68.15 68.51 2jj1 h THR 414 CO -0.07 0.45 0.54 -0.61 -0.25 0.00 0.00 175.52 175.59 2jj1 h GLN 415 N 0.55 1.04 -0.12 4.72 4.15 -1.44 -1.89 115.11 122.12 2jj1 h GLN 415 Ca 0.07 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.20 2jj1 h GLN 415 Cb 0.78 -0.24 0.01 0.00 0.21 0.00 0.00 27.48 28.24 2jj1 h GLN 415 CO 0.06 0.69 -0.81 0.37 -1.93 0.00 0.00 178.83 177.21 2jj1 h GLN 416 N 1.07 0.70 0.06 1.69 5.75 -1.18 -1.94 115.11 121.25 2jj1 h GLN 416 Ca 0.31 -0.60 0.01 0.00 -0.15 0.00 0.00 58.65 58.23 2jj1 h GLN 416 Cb -0.06 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2jj1 h GLN 416 CO -0.08 1.21 -0.10 1.25 -2.65 0.00 0.00 178.83 178.46 2jj1 h LEU 417 N 0.46 -0.27 -0.13 -2.39 5.85 -1.14 0.13 115.31 117.83 2jj1 h LEU 417 Ca -0.06 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2jj1 h LEU 417 Cb 1.43 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 2jj1 h LEU 417 CO 0.16 -0.15 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.99 2jj1 h LEU 418 N -0.20 -0.17 -0.82 2.25 3.38 -1.42 0.41 115.31 118.74 2jj1 h LEU 418 Ca 0.02 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.15 2jj1 h LEU 418 Cb 0.21 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 2jj1 h LEU 418 CO -0.06 -0.07 0.44 0.28 0.09 0.00 0.00 178.44 179.13 2jj1 h SER 419 N -0.03 0.58 0.24 -0.43 0.02 -0.99 -0.32 113.55 112.62 2jj1 h SER 419 Ca 0.07 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2jj1 h SER 419 Cb 0.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2jj1 h SER 419 CO -0.15 0.30 -0.12 -0.09 -1.14 0.00 0.00 176.83 175.63 2jj1 h ARG 420 N 0.69 -0.31 -0.01 3.45 9.65 -0.38 -3.21 114.38 124.26 2jj1 h ARG 420 Ca 0.42 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.35 2jj1 h ARG 420 Cb 0.49 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.09 2jj1 h ARG 420 CO -0.30 -0.03 -0.40 0.78 2.80 0.00 0.00 179.97 182.82 2jj1 h GLY 421 N -0.58 -0.72 0.33 2.80 0.00 0.12 0.23 103.07 105.25 2jj1 h GLY 421 Ca -0.03 0.48 0.17 0.00 0.00 0.00 0.00 47.33 47.95 2jj1 h GLY 421 CO 0.05 -0.24 0.60 -2.08 0.00 0.00 0.00 176.54 174.87 2jj1 h VAL 422 N -0.55 0.76 0.14 4.60 2.07 -1.26 0.81 116.25 122.83 2jj1 h VAL 422 Ca 0.05 -0.23 -0.30 0.00 0.82 0.00 0.00 66.70 67.04 2jj1 h VAL 422 Cb 0.63 0.03 0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2jj1 h VAL 422 CO -0.31 0.12 -1.28 0.03 0.02 0.00 0.00 177.57 176.15 2jj1 h ARG 423 N 0.67 0.61 -0.62 1.57 3.08 -1.25 -2.90 114.38 115.55 2jj1 h ARG 423 Ca 0.50 -0.85 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 2jj1 h ARG 423 Cb 0.87 0.29 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2jj1 h ARG 423 CO -0.26 1.39 0.27 -0.07 -1.07 0.00 0.00 179.97 180.24 2jj1 h LEU 424 N 0.25 0.83 -1.01 3.04 3.38 -0.10 -2.38 115.31 119.31 2jj1 h LEU 424 Ca -0.20 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2jj1 h LEU 424 Cb 1.95 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.43 2jj1 h LEU 424 CO 0.24 0.75 0.66 0.74 0.09 0.00 0.00 178.44 180.92 2jj1 h THR 425 N 0.85 1.13 -0.12 0.22 2.02 -0.89 0.47 112.91 116.60 2jj1 h THR 425 Ca 0.21 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 2jj1 h THR 425 Cb 0.16 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 2jj1 h THR 425 CO -0.02 0.22 -0.30 -0.33 0.37 0.00 0.00 175.52 175.47 2jj1 h GLU 426 N 1.23 0.22 0.00 6.66 4.39 -1.26 -2.93 114.58 122.89 2jj1 h GLU 426 Ca 0.42 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2jj1 h GLU 426 Cb 0.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2jj1 h GLU 426 CO -0.15 0.50 0.00 -0.07 -1.16 0.00 0.00 179.01 178.13 2jj1 h LEU 427 N 0.19 0.00 -0.40 1.33 3.38 -0.41 -2.92 115.31 116.48 2jj1 h LEU 427 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jj1 h LEU 427 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jj1 h LEU 427 CO 0.05 0.00 -0.38 0.18 0.09 0.00 0.00 178.44 178.37 2jj1 n LEU 428 N -3.00 1.00 -4.77 1.67 4.77 -0.99 -4.85 117.00 110.84 2jj1 n LEU 428 Ca 0.02 -0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.34 2jj1 n LEU 428 Cb 0.36 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2jj1 n LEU 428 CO 0.29 0.20 0.92 -0.54 -1.33 0.00 0.00 177.39 176.92 2jj1 s LYS 429 N -2.65 3.91 -0.27 3.23 1.02 -1.10 -4.40 119.74 119.48 2jj1 s LYS 429 Ca 0.20 2.05 -0.24 0.00 0.02 0.00 0.00 55.97 57.99 2jj1 s LYS 429 Cb 0.18 -2.67 0.07 0.00 -0.52 0.00 0.00 37.83 34.90 2jj1 s LYS 429 CO 0.59 -0.50 0.74 -1.14 -0.92 0.00 0.00 175.35 174.12 2jj1 s GLN 430 N -2.34 0.80 0.00 1.68 0.74 -0.36 -4.96 119.66 115.23 2jj1 s GLN 430 Ca 0.59 0.99 0.00 0.00 0.05 0.00 0.00 55.36 56.98 2jj1 s GLN 430 Cb -0.35 0.38 0.00 0.00 1.10 0.00 0.00 33.01 34.13 2jj1 s GLN 430 CO 0.45 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.50 2jj1 n GLY 431 N 2.78 -2.67 3.62 2.59 0.00 -1.26 -3.97 105.19 106.28 2jj1 n GLY 431 Ca -0.14 -1.34 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 2jj1 n GLY 431 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jj1 s GLN 432 N -0.84 2.04 -0.67 1.61 0.74 -1.26 -4.75 119.66 116.53 2jj1 s GLN 432 Ca 0.00 -1.78 0.00 0.00 0.05 0.00 0.00 55.36 53.63 2jj1 s GLN 432 Cb 0.00 -1.89 0.00 0.00 1.10 0.00 0.00 33.01 32.22 2jj1 s GLN 432 CO 0.00 0.13 0.00 0.66 -0.55 0.00 0.00 175.29 175.53 2jj1 n TYR 433 N -0.94 -0.18 -3.25 1.67 0.53 -1.26 -4.84 117.16 108.89 2jj1 n TYR 433 Ca -0.04 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.59 2jj1 n TYR 433 Cb 0.63 -1.98 -0.07 0.00 -1.03 0.00 0.00 39.34 36.88 2jj1 n TYR 433 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2jj1 n SER 434 N 0.02 1.34 -4.75 7.72 7.64 -1.26 -5.09 113.62 119.24 2jj1 n SER 434 Ca -0.06 -2.95 -0.41 0.00 1.01 0.00 0.00 58.87 56.46 2jj1 n SER 434 Cb 0.37 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 62.90 2jj1 n SER 434 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2jj1 s PRO 435 N -1.67 4.26 0.08 1.43 0.04 -1.26 -4.97 135.00 132.91 2jj1 s PRO 435 Ca 0.37 2.33 -0.17 0.00 0.04 0.00 0.00 61.00 63.57 2jj1 s PRO 435 Cb 0.17 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.56 2jj1 s PRO 435 CO -0.08 -0.41 0.53 -1.64 0.04 0.00 0.00 177.00 175.44 2jj1 s MET 436 N -0.71 4.07 0.50 4.56 -1.94 -0.31 -4.93 119.30 120.56 2jj1 s MET 436 Ca 0.58 0.59 -0.23 0.00 -1.71 0.00 0.00 55.69 54.92 2jj1 s MET 436 Cb -0.42 -3.14 -0.06 0.00 2.01 0.00 0.00 34.83 33.22 2jj1 s MET 436 CO 0.46 0.60 1.32 0.00 -0.01 0.00 0.00 175.02 177.39 2jj1 s ALA 437 N -1.22 2.94 0.14 3.03 0.00 -1.26 -4.33 121.76 121.07 2jj1 s ALA 437 Ca 0.31 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 2jj1 s ALA 437 Cb -0.18 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.44 2jj1 s ALA 437 CO 0.18 -1.15 1.68 0.97 0.00 0.00 0.00 175.76 177.44 2jj1 h ILE 438 N 1.72 0.65 -0.82 0.00 6.09 -1.97 -2.05 117.51 121.12 2jj1 h ILE 438 Ca -0.50 0.00 0.20 0.00 -1.37 0.00 0.00 64.86 63.19 2jj1 h ILE 438 Cb 1.28 0.65 -0.13 0.00 0.47 0.00 0.00 36.82 39.09 2jj1 h ILE 438 CO 0.59 0.00 0.19 1.05 -3.07 0.00 0.00 178.15 176.90 2jj1 h GLU 439 N -0.07 0.21 -0.61 2.19 9.09 -1.91 0.11 114.58 123.59 2jj1 h GLU 439 Ca 0.13 -0.01 -0.07 0.00 0.05 0.00 0.00 59.36 59.46 2jj1 h GLU 439 Cb 0.27 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.29 2jj1 h GLU 439 CO -0.30 0.14 0.11 0.93 0.05 0.00 0.00 179.01 179.94 2jj1 h GLU 440 N 0.22 1.01 -0.64 1.06 5.08 -1.76 -0.11 114.58 119.44 2jj1 h GLU 440 Ca 0.49 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2jj1 h GLU 440 Cb 0.93 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2jj1 h GLU 440 CO -0.61 0.94 0.36 1.96 -1.00 0.00 0.00 179.01 180.66 2jj1 h GLN 441 N 0.91 0.66 -0.42 2.33 4.20 -0.56 -1.98 115.11 120.25 2jj1 h GLN 441 Ca 0.19 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 2jj1 h GLN 441 Cb 0.42 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2jj1 h GLN 441 CO 0.01 0.43 -0.10 0.28 -0.67 0.00 0.00 178.83 178.78 2jj1 h VAL 442 N 0.68 1.25 0.05 -0.54 2.07 -0.22 -1.89 116.25 117.65 2jj1 h VAL 442 Ca 0.28 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2jj1 h VAL 442 Cb 0.15 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jj1 h VAL 442 CO -0.17 0.39 -0.02 0.00 0.02 0.00 0.00 177.57 177.79 2jj1 h ALA 443 N 1.20 -0.06 0.25 1.67 0.00 -0.47 -1.71 119.26 120.14 2jj1 h ALA 443 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jj1 h ALA 443 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jj1 h ALA 443 CO 0.04 -0.47 -0.12 -0.39 0.00 0.00 0.00 179.25 178.30 2jj1 h VAL 444 N -0.19 0.79 -0.66 0.00 -1.51 -1.16 -2.85 116.25 110.67 2jj1 h VAL 444 Ca -0.01 -0.27 0.13 0.00 -1.23 0.00 0.00 66.70 65.32 2jj1 h VAL 444 Cb 0.17 0.95 -0.10 0.00 -2.13 0.00 0.00 31.29 30.19 2jj1 h VAL 444 CO 0.01 0.06 0.13 0.40 -1.23 0.00 0.00 177.57 176.94 2jj1 h ILE 445 N -0.48 0.57 -0.51 7.19 1.08 -1.37 -1.28 117.51 122.71 2jj1 h ILE 445 Ca -0.03 -0.08 0.10 0.00 -0.39 0.00 0.00 64.86 64.45 2jj1 h ILE 445 Cb 0.36 0.30 -0.10 0.00 -3.07 0.00 0.00 36.82 34.31 2jj1 h ILE 445 CO 0.06 0.04 -0.19 0.22 -0.69 0.00 0.00 178.15 177.59 2jj1 h TYR 446 N 0.25 -0.45 -0.47 1.37 3.20 -1.20 0.19 116.97 119.85 2jj1 h TYR 446 Ca 0.35 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.30 2jj1 h TYR 446 Cb 0.56 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 2jj1 h TYR 446 CO -0.27 -0.28 0.31 0.00 -1.64 0.00 0.00 178.16 176.29 2jj1 h ALA 447 N 1.35 1.75 0.29 1.82 0.00 -1.00 -2.08 119.26 121.38 2jj1 h ALA 447 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2jj1 h ALA 447 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jj1 h ALA 447 CO -0.56 0.21 -0.14 0.78 0.00 0.00 0.00 179.25 179.54 2jj1 h GLY 448 N 0.56 -0.40 2.00 0.00 0.00 -0.61 -2.33 103.07 102.29 2jj1 h GLY 448 Ca 0.19 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 2jj1 h GLY 448 CO -0.05 -0.15 -0.31 -0.39 0.00 0.00 0.00 176.54 175.65 2jj1 h VAL 449 N -1.07 0.97 0.00 4.60 -1.51 -0.61 1.00 116.25 119.62 2jj1 h VAL 449 Ca -0.04 -1.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 2jj1 h VAL 449 Cb 0.38 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2jj1 h VAL 449 CO 0.07 0.30 0.00 0.54 -1.23 0.00 0.00 177.57 177.25 2jj1 n ARG 450 N -3.80 0.09 -0.41 5.19 5.12 -0.80 -4.94 116.66 117.11 2jj1 n ARG 450 Ca -0.01 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2jj1 n ARG 450 Cb 0.40 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 2jj1 n ARG 450 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jj1 n GLY 451 N 1.42 0.73 0.20 -0.13 0.00 0.34 -4.95 105.19 102.81 2jj1 n GLY 451 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2jj1 n GLY 451 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jj1 h TYR 452 N 0.00 0.00 -0.30 1.61 0.99 -1.61 0.57 116.97 118.23 2jj1 h TYR 452 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2jj1 h TYR 452 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 2jj1 h TYR 452 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 2jj1 n LEU 453 N -2.50 3.21 -0.16 3.88 4.77 -1.22 -4.60 117.00 120.38 2jj1 n LEU 453 Ca -0.01 -1.42 0.09 0.00 -0.03 0.00 0.00 56.01 54.65 2jj1 n LEU 453 Cb 0.10 -0.19 0.41 0.00 -2.33 0.00 0.00 43.42 41.42 2jj1 n LEU 453 CO 0.15 0.67 1.21 0.44 -1.33 0.00 0.00 177.39 178.53 2jj1 h ASP 454 N 4.08 0.55 0.11 -1.43 3.45 -1.21 -0.36 116.42 121.62 2jj1 h ASP 454 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2jj1 h ASP 454 Cb 0.92 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 2jj1 h ASP 454 CO 0.00 0.33 -0.21 0.29 -1.57 0.00 0.00 179.24 178.09 2jj1 n LYS 455 N -4.49 1.22 -2.84 3.56 4.76 -1.26 -4.91 118.16 114.20 2jj1 n LYS 455 Ca 0.11 -0.80 -0.39 0.00 -2.87 0.00 0.00 58.31 54.37 2jj1 n LYS 455 Cb 0.32 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.97 2jj1 n LYS 455 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2jj1 s LEU 456 N -2.33 4.52 0.25 -0.35 2.96 -0.15 -5.00 118.68 118.57 2jj1 s LEU 456 Ca 0.27 1.80 -0.31 0.00 -0.22 0.00 0.00 54.13 55.67 2jj1 s LEU 456 Cb 0.20 -3.66 -0.12 0.00 0.50 0.00 0.00 46.19 43.11 2jj1 s LEU 456 CO 0.46 0.09 1.68 1.21 -1.32 0.00 0.00 176.35 178.47 2jj1 n GLU 457 N 1.17 2.77 -0.34 1.98 2.13 -1.26 -4.89 120.64 122.19 2jj1 n GLU 457 Ca -0.02 0.99 0.15 0.00 0.66 0.00 0.00 57.16 58.94 2jj1 n GLU 457 Cb 0.49 -2.82 0.36 0.00 0.27 0.00 0.00 31.44 29.74 2jj1 n GLU 457 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 2jj1 h PRO 458 N 5.95 0.67 0.00 5.31 0.11 -1.94 -1.92 132.00 140.18 2jj1 h PRO 458 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jj1 h PRO 458 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jj1 h PRO 458 CO 0.89 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 177.99 2jj1 n SER 459 N -4.77 0.00 -0.00 -2.05 3.41 -1.26 -2.16 113.62 106.78 2jj1 n SER 459 Ca 0.24 0.43 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 2jj1 n SER 459 Cb 0.64 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 2jj1 n SER 459 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jj1 n LYS 460 N -1.47 0.39 -0.12 4.33 5.02 -0.72 -4.59 118.16 121.00 2jj1 n LYS 460 Ca 0.05 -0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 2jj1 n LYS 460 Cb 0.18 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 2jj1 n LYS 460 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2jj1 h ILE 461 N 0.00 0.40 -0.26 -0.18 1.08 -1.42 0.91 117.51 118.03 2jj1 h ILE 461 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2jj1 h ILE 461 Cb 0.56 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 2jj1 h ILE 461 CO 0.00 0.00 0.06 0.74 -0.69 0.00 0.00 178.15 178.26 2jj1 h THR 462 N -0.13 0.90 -1.00 -0.27 2.02 -1.81 -0.20 112.91 112.42 2jj1 h THR 462 Ca 0.20 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.35 2jj1 h THR 462 Cb 0.44 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 2jj1 h THR 462 CO -0.49 0.03 0.66 0.50 0.37 0.00 0.00 175.52 176.58 2jj1 h LYS 463 N 0.17 1.25 -0.21 6.66 3.64 -1.64 -2.44 116.57 123.98 2jj1 h LYS 463 Ca 0.12 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jj1 h LYS 463 Cb 0.11 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2jj1 h LYS 463 CO -0.14 0.83 0.12 0.35 -2.27 0.00 0.00 179.45 178.33 2jj1 h PHE 464 N 1.29 0.30 -0.68 1.91 3.57 -0.05 -2.59 116.94 120.70 2jj1 h PHE 464 Ca 0.39 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.98 2jj1 h PHE 464 Cb -0.04 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.53 2jj1 h PHE 464 CO -0.00 0.27 0.29 1.49 -2.23 0.00 0.00 178.31 178.13 2jj1 h GLU 465 N 0.24 0.47 -0.32 1.11 4.81 -0.58 0.40 114.58 120.71 2jj1 h GLU 465 Ca 0.08 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 2jj1 h GLU 465 Cb 0.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2jj1 h GLU 465 CO -0.01 0.31 -0.39 -0.91 -0.73 0.00 0.00 179.01 177.28 2jj1 h ASN 466 N 0.49 0.81 0.37 1.04 2.35 -1.45 0.84 115.58 120.03 2jj1 h ASN 466 Ca 0.35 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2jj1 h ASN 466 Cb 0.43 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2jj1 h ASN 466 CO -0.31 1.10 -0.18 0.00 -1.65 0.00 0.00 177.43 176.39 2jj1 h ALA 467 N 0.93 -0.50 -0.26 -0.83 0.00 -0.93 -1.65 119.26 116.02 2jj1 h ALA 467 Ca 0.05 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jj1 h ALA 467 Cb 0.94 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2jj1 h ALA 467 CO 0.09 -0.66 0.00 0.35 0.00 0.00 0.00 179.25 179.02 2jj1 h PHE 468 N -0.74 -0.01 0.55 0.00 3.57 -0.16 -1.34 116.94 118.81 2jj1 h PHE 468 Ca -0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2jj1 h PHE 468 Cb 0.51 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2jj1 h PHE 468 CO 0.00 -0.04 -0.51 1.25 -2.23 0.00 0.00 178.31 176.79 2jj1 h LEU 469 N 0.08 -1.37 -1.90 0.59 5.85 -0.85 -1.15 115.31 116.56 2jj1 h LEU 469 Ca 0.12 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2jj1 h LEU 469 Cb 0.16 0.45 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2jj1 h LEU 469 CO -0.21 -0.68 0.08 0.77 -0.34 0.00 0.00 178.44 178.05 2jj1 h SER 470 N -1.04 0.00 0.22 1.25 4.64 -1.13 -1.55 113.55 115.93 2jj1 h SER 470 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2jj1 h SER 470 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2jj1 h SER 470 CO -0.04 0.00 -0.10 -0.74 -0.87 0.00 0.00 176.83 175.08 2jj1 h HIS 471 N 0.00 -0.27 0.00 4.77 -0.00 -0.06 -3.28 115.15 116.31 2jj1 h HIS 471 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 2jj1 h HIS 471 Cb 0.15 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2jj1 h HIS 471 CO 0.00 -0.05 -0.09 -0.39 -0.00 0.00 0.00 177.93 177.40 2jj1 h VAL 472 N -1.04 0.63 -0.32 5.26 -1.51 -0.44 -0.35 116.25 118.49 2jj1 h VAL 472 Ca -0.03 -0.38 -0.13 0.00 -1.23 0.00 0.00 66.70 64.94 2jj1 h VAL 472 Cb 0.35 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 2jj1 h VAL 472 CO 0.05 0.09 -0.32 0.40 -1.23 0.00 0.00 177.57 176.56 2jj1 h ILE 473 N 0.00 1.28 0.00 7.19 2.04 -1.48 -1.67 117.51 124.88 2jj1 h ILE 473 Ca -0.00 -1.45 -0.21 0.00 1.00 0.00 0.00 64.86 64.20 2jj1 h ILE 473 Cb 0.23 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2jj1 h ILE 473 CO 0.01 0.47 -1.17 0.77 0.00 0.00 0.00 178.15 178.23 2jj1 h SER 474 N 0.59 0.00 0.88 1.72 4.64 -1.48 -3.38 113.55 116.52 2jj1 h SER 474 Ca 0.07 -0.47 -0.23 0.00 -0.47 0.00 0.00 61.79 60.69 2jj1 h SER 474 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 2jj1 h SER 474 CO 0.07 1.42 -1.07 -0.61 -0.87 0.00 0.00 176.83 175.77 2jj1 h GLN 475 N -1.00 0.09 -1.32 4.77 5.75 -1.21 -3.39 115.11 118.80 2jj1 h GLN 475 Ca -0.31 -0.14 -0.48 0.00 -0.15 0.00 0.00 58.65 57.56 2jj1 h GLN 475 Cb 1.23 0.05 -0.41 0.00 1.07 0.00 0.00 27.48 29.42 2jj1 h GLN 475 CO -0.19 1.07 -0.95 0.72 -2.65 0.00 0.00 178.83 176.82 2jj1 n HIS 476 N -3.41 2.34 0.30 3.99 8.25 -0.63 -4.78 115.22 121.27 2jj1 n HIS 476 Ca -0.03 -3.02 0.14 0.00 -0.26 0.00 0.00 57.72 54.56 2jj1 n HIS 476 Cb 0.96 -0.24 0.65 0.00 1.12 0.00 0.00 29.99 32.49 2jj1 n HIS 476 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2jj1 h GLN 477 N 2.79 0.00 -0.07 -0.41 5.75 -1.72 -2.37 115.11 119.07 2jj1 h GLN 477 Ca 0.11 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.38 2jj1 h GLN 477 Cb 1.03 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.59 2jj1 h GLN 477 CO 0.68 0.00 -0.88 0.00 -2.65 0.00 0.00 178.83 175.98 2jj1 h ALA 478 N 2.11 0.30 -0.18 3.38 0.00 -1.89 0.31 119.26 123.29 2jj1 h ALA 478 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 2jj1 h ALA 478 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jj1 h ALA 478 CO 0.00 0.72 -0.17 1.25 0.00 0.00 0.00 179.25 181.04 2jj1 h LEU 479 N 0.42 0.47 -0.58 0.00 7.12 -1.81 -0.88 115.31 120.05 2jj1 h LEU 479 Ca -0.08 -0.47 -0.06 0.00 0.13 0.00 0.00 57.88 57.40 2jj1 h LEU 479 Cb 1.51 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.48 2jj1 h LEU 479 CO 0.17 0.84 0.13 -0.07 -0.13 0.00 0.00 178.44 179.39 2jj1 h LEU 480 N 0.10 0.88 -0.48 2.25 3.38 -1.57 -1.05 115.31 118.81 2jj1 h LEU 480 Ca 0.03 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2jj1 h LEU 480 Cb 0.71 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2jj1 h LEU 480 CO 0.04 0.89 0.09 -1.28 0.09 0.00 0.00 178.44 178.27 2jj1 h SER 481 N 0.83 -0.01 -0.42 -0.43 0.87 -0.86 -1.49 113.55 112.05 2jj1 h SER 481 Ca 0.18 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 2jj1 h SER 481 Cb 0.36 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2jj1 h SER 481 CO 0.00 0.03 -0.15 0.50 -0.53 0.00 0.00 176.83 176.68 2jj1 h LYS 482 N 0.23 0.84 -0.51 2.24 1.63 -0.76 -1.74 116.57 118.49 2jj1 h LYS 482 Ca 0.24 -0.34 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2jj1 h LYS 482 Cb 0.32 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2jj1 h LYS 482 CO -0.32 0.98 0.20 0.82 -3.45 0.00 0.00 179.45 177.69 2jj1 h ILE 483 N 0.66 1.21 -0.44 2.00 2.04 -1.01 -1.25 117.51 120.73 2jj1 h ILE 483 Ca 0.10 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 2jj1 h ILE 483 Cb 0.70 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2jj1 h ILE 483 CO 0.05 0.25 -0.14 -0.09 0.00 0.00 0.00 178.15 178.23 2jj1 h ARG 484 N 0.68 0.86 0.20 2.37 2.43 -1.21 0.82 114.38 120.53 2jj1 h ARG 484 Ca 0.17 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2jj1 h ARG 484 Cb 0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2jj1 h ARG 484 CO -0.01 0.98 -0.10 1.15 -1.51 0.00 0.00 179.97 180.48 2jj1 h THR 485 N 0.69 0.83 -0.04 0.20 2.02 -1.32 -3.25 112.91 112.04 2jj1 h THR 485 Ca 0.11 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 2jj1 h THR 485 Cb 0.68 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2jj1 h THR 485 CO 0.05 0.19 -0.13 0.44 0.37 0.00 0.00 175.52 176.44 2jj1 h ASP 486 N -0.80 0.06 -0.36 4.18 3.32 -1.31 -3.46 116.42 118.05 2jj1 h ASP 486 Ca -0.03 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 2jj1 h ASP 486 Cb 0.51 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 2jj1 h ASP 486 CO 0.05 0.20 -0.14 0.61 -1.72 0.00 0.00 179.24 178.23 2jj1 n GLY 487 N -1.08 0.96 3.56 2.75 0.00 0.27 -4.98 105.19 106.66 2jj1 n GLY 487 Ca -0.02 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 2jj1 n GLY 487 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jj1 s LYS 488 N -2.56 1.64 -0.52 1.61 -2.85 -1.12 0.12 119.74 116.06 2jj1 s LYS 488 Ca 0.00 -1.38 -0.08 0.00 -1.00 0.00 0.00 55.97 53.51 2jj1 s LYS 488 Cb 0.00 0.46 0.13 0.00 -2.06 0.00 0.00 37.83 36.37 2jj1 s LYS 488 CO 0.00 -0.68 0.38 0.42 0.10 0.00 0.00 175.35 175.57 2jj1 s ILE 489 N -3.74 4.16 0.83 3.79 1.01 -1.26 -4.39 121.20 121.61 2jj1 s ILE 489 Ca 0.25 -2.03 -0.11 0.00 0.00 0.00 0.00 60.65 58.75 2jj1 s ILE 489 Cb -0.00 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.83 2jj1 s ILE 489 CO 0.12 -0.80 1.09 -0.94 0.00 0.00 0.00 174.94 174.40 2jj1 s SER 490 N 2.28 4.06 0.56 3.58 1.04 -1.26 -4.67 113.70 119.30 2jj1 s SER 490 Ca 0.08 1.50 0.34 0.00 0.48 0.00 0.00 55.95 58.35 2jj1 s SER 490 Cb -0.24 -2.21 1.47 0.00 0.10 0.00 0.00 66.02 65.14 2jj1 s SER 490 CO -0.02 -2.27 1.77 -0.33 0.98 0.00 0.00 173.24 173.37 2jj1 h GLU 491 N -1.29 0.00 0.05 4.02 5.08 -1.99 0.78 114.58 121.24 2jj1 h GLU 491 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2jj1 h GLU 491 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2jj1 h GLU 491 CO 0.56 0.00 -0.03 1.49 -1.00 0.00 0.00 179.01 180.03 2jj1 h GLU 492 N 0.00 -0.07 -0.58 2.33 4.81 -2.00 -2.90 114.58 116.16 2jj1 h GLU 492 Ca 0.48 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.73 2jj1 h GLU 492 Cb 2.10 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.46 2jj1 h GLU 492 CO -0.01 0.54 0.36 0.77 -0.73 0.00 0.00 179.01 179.95 2jj1 h SER 493 N -0.87 0.60 -0.36 1.04 0.02 -1.66 -1.54 113.55 110.77 2jj1 h SER 493 Ca -0.01 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 2jj1 h SER 493 Cb 0.64 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.97 2jj1 h SER 493 CO 0.01 0.42 -0.24 -0.78 -1.14 0.00 0.00 176.83 175.10 2jj1 h ASP 494 N 0.72 -0.81 -0.09 3.07 1.82 -0.99 0.69 116.42 120.83 2jj1 h ASP 494 Ca 0.23 0.16 0.04 0.00 -0.39 0.00 0.00 57.03 57.07 2jj1 h ASP 494 Cb -0.00 0.41 -0.05 0.00 0.68 0.00 0.00 39.33 40.36 2jj1 h ASP 494 CO -0.09 -0.27 -0.23 0.00 -1.61 0.00 0.00 179.24 177.05 2jj1 h ALA 495 N 0.96 -0.22 -1.00 -0.78 0.00 -1.26 -1.25 119.26 115.70 2jj1 h ALA 495 Ca 0.18 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2jj1 h ALA 495 Cb 0.47 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2jj1 h ALA 495 CO -0.48 -0.70 0.66 0.87 0.00 0.00 0.00 179.25 179.60 2jj1 h LYS 496 N -0.31 1.23 -0.04 0.00 1.57 -0.32 -2.51 116.57 116.19 2jj1 h LYS 496 Ca 0.09 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jj1 h LYS 496 Cb 0.44 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jj1 h LYS 496 CO -0.27 0.81 0.02 -0.07 -0.57 0.00 0.00 179.45 179.37 2jj1 h LEU 497 N 1.26 0.06 0.23 2.94 3.38 0.59 -2.38 115.31 121.39 2jj1 h LEU 497 Ca 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2jj1 h LEU 497 Cb 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jj1 h LEU 497 CO -0.13 0.17 -0.21 0.50 0.09 0.00 0.00 178.44 178.86 2jj1 h LYS 498 N -0.06 -0.45 -0.66 1.13 3.64 -1.14 -2.24 116.57 116.79 2jj1 h LYS 498 Ca 0.01 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.53 2jj1 h LYS 498 Cb 0.13 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.98 2jj1 h LYS 498 CO -0.00 -0.30 0.25 1.49 -2.27 0.00 0.00 179.45 178.62 2jj1 h GLU 499 N -0.47 0.42 0.81 1.90 4.81 -1.51 -2.29 114.58 118.25 2jj1 h GLU 499 Ca -0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2jj1 h GLU 499 Cb 0.43 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.72 2jj1 h GLU 499 CO -0.04 0.28 -0.39 0.82 -0.73 0.00 0.00 179.01 178.95 2jj1 h ILE 500 N 0.43 0.00 -0.97 2.32 2.04 -1.19 -3.18 117.51 116.96 2jj1 h ILE 500 Ca 0.34 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.22 2jj1 h ILE 500 Cb 0.45 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2jj1 h ILE 500 CO -0.34 0.00 0.64 -0.37 0.00 0.00 0.00 178.15 178.08 2jj1 h VAL 501 N -1.08 1.23 0.26 1.67 -1.51 -1.23 -1.26 116.25 114.33 2jj1 h VAL 501 Ca -0.11 -0.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.91 2jj1 h VAL 501 Cb 0.83 -0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 29.81 2jj1 h VAL 501 CO 0.18 0.24 -0.15 0.71 -1.23 0.00 0.00 177.57 177.32 2jj1 h THR 502 N 1.29 0.69 0.00 7.19 1.35 -1.50 0.14 112.91 122.07 2jj1 h THR 502 Ca 0.36 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 66.13 2jj1 h THR 502 Cb -0.11 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 2jj1 h THR 502 CO -0.09 0.00 -0.46 0.78 -0.25 0.00 0.00 175.52 175.50 2jj1 h ASN 503 N -0.39 0.00 -0.01 5.36 2.35 -1.49 -2.28 115.58 119.13 2jj1 h ASN 503 Ca -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2jj1 h ASN 503 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2jj1 h ASN 503 CO 0.04 0.46 -0.05 0.15 -1.65 0.00 0.00 177.43 176.38 2jj1 h PHE 504 N 0.00 0.07 -0.70 1.19 3.57 -1.13 -2.52 116.94 117.42 2jj1 h PHE 504 Ca -0.00 -0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.59 2jj1 h PHE 504 Cb 0.95 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 2jj1 h PHE 504 CO 0.00 0.74 0.25 1.25 -2.23 0.00 0.00 178.31 178.31 2jj1 h LEU 505 N -0.62 0.20 -0.11 0.59 6.46 -0.65 0.54 115.31 121.71 2jj1 h LEU 505 Ca -0.00 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2jj1 h LEU 505 Cb 0.74 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 2jj1 h LEU 505 CO 0.01 0.09 0.06 0.00 -0.62 0.00 0.00 178.44 177.97 2jj1 h ALA 506 N 1.51 0.14 -0.70 1.25 0.00 -1.50 -0.90 119.26 119.06 2jj1 h ALA 506 Ca 0.37 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2jj1 h ALA 506 Cb 0.55 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2jj1 h ALA 506 CO -0.39 -0.30 0.39 0.78 0.00 0.00 0.00 179.25 179.73 2jj1 h GLY 507 N 0.06 1.04 0.99 0.00 0.00 -0.84 -1.49 103.07 102.84 2jj1 h GLY 507 Ca 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.15 2jj1 h GLY 507 CO -0.01 0.16 0.54 -2.75 0.00 0.00 0.00 176.54 174.48 2jj1 h PHE 508 N 0.71 0.94 -0.52 5.60 3.57 0.31 -3.10 116.94 124.45 2jj1 h PHE 508 Ca 0.32 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2jj1 h PHE 508 Cb 0.22 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2jj1 h PHE 508 CO -0.08 0.51 0.00 0.39 -2.23 0.00 0.00 178.31 176.91 2jj1 n GLU 509 N -4.47 4.42 0.00 1.11 1.02 -0.37 -5.08 120.64 117.27 2jj1 n GLU 509 Ca 0.12 -2.80 0.05 0.00 -0.02 0.00 0.00 57.16 54.51 2jj1 n GLU 509 Cb 0.17 -2.16 0.30 0.00 -0.02 0.00 0.00 31.44 29.73 2jj1 n GLU 509 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31