#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jj1 s ASP 24 N 0.00 6.44 -0.03 -1.34 3.68 -1.26 -4.90 116.67 119.25 2jj1 s ASP 24 Ca 0.00 -0.04 0.14 0.00 2.13 0.00 0.00 52.55 54.78 2jj1 s ASP 24 Cb 0.00 -2.46 0.45 0.00 -1.45 0.00 0.00 42.92 39.47 2jj1 s ASP 24 CO 0.00 -1.15 1.35 0.18 0.13 0.00 0.00 175.17 175.68 2jj1 n LEU 25 N 7.40 2.93 -0.06 -1.34 4.77 -1.26 -2.97 117.00 126.46 2jj1 n LEU 25 Ca 0.05 -1.47 -0.21 0.00 -0.03 0.00 0.00 56.01 54.35 2jj1 n LEU 25 Cb 0.48 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 2jj1 n LEU 25 CO 0.65 0.62 -1.02 -0.62 -1.33 0.00 0.00 177.39 175.69 2jj1 n GLU 26 N 0.82 0.69 -0.00 3.23 1.02 -1.26 0.45 120.64 125.59 2jj1 n GLU 26 Ca 0.17 0.25 0.09 0.00 -0.02 0.00 0.00 57.16 57.65 2jj1 n GLU 26 Cb 0.51 -1.63 0.07 0.00 -0.02 0.00 0.00 31.44 30.37 2jj1 n GLU 26 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jj1 n GLU 27 N -3.55 1.38 -4.02 3.49 -0.58 -1.26 -1.19 120.64 114.91 2jj1 n GLU 27 Ca -0.38 -1.52 -0.09 0.00 -0.42 0.00 0.00 57.16 54.75 2jj1 n GLU 27 Cb 0.98 -1.33 -0.11 0.00 -0.57 0.00 0.00 31.44 30.42 2jj1 n GLU 27 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2jj1 s THR 28 N -1.42 0.17 0.23 2.62 2.01 -1.16 -1.70 115.64 116.39 2jj1 s THR 28 Ca 0.20 -1.19 -0.10 0.00 0.31 0.00 0.00 61.69 60.91 2jj1 s THR 28 Cb 0.14 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 2jj1 s THR 28 CO 0.21 -0.64 0.39 -0.83 -0.69 0.00 0.00 174.62 173.07 2jj1 s GLY 29 N -1.90 0.67 0.17 4.40 0.00 0.46 0.23 107.32 111.35 2jj1 s GLY 29 Ca -0.09 -1.01 0.08 0.00 0.00 0.00 0.00 44.72 43.71 2jj1 s GLY 29 CO -0.03 -0.78 -0.17 1.09 0.00 0.00 0.00 173.10 173.21 2jj1 s ARG 30 N -4.03 1.27 -0.27 2.90 1.70 -0.27 -0.20 118.95 120.04 2jj1 s ARG 30 Ca 0.24 -1.43 -0.28 0.00 -0.47 0.00 0.00 55.73 53.79 2jj1 s ARG 30 Cb 0.01 -1.25 0.01 0.00 -0.57 0.00 0.00 34.95 33.15 2jj1 s ARG 30 CO 0.08 0.24 1.02 0.08 -1.08 0.00 0.00 175.30 175.64 2jj1 s VAL 31 N -2.25 4.64 -0.06 4.99 1.01 -0.36 -1.11 120.40 127.25 2jj1 s VAL 31 Ca 0.17 1.82 -0.26 0.00 0.00 0.00 0.00 61.98 63.71 2jj1 s VAL 31 Cb -0.05 -4.32 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 2jj1 s VAL 31 CO 0.06 -0.29 1.04 -0.07 0.00 0.00 0.00 175.10 175.84 2jj1 h LEU 32 N 9.67 0.12 -7.22 3.92 3.38 -0.67 -0.05 115.31 124.45 2jj1 h LEU 32 Ca -0.20 -0.75 -0.09 0.00 0.09 0.00 0.00 57.88 56.93 2jj1 h LEU 32 Cb 1.07 -0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.58 2jj1 h LEU 32 CO 0.98 0.85 -0.03 -0.94 0.09 0.00 0.00 178.44 179.39 2jj1 s SER 33 N -6.12 -0.47 -0.04 -0.43 1.04 -0.98 -4.88 113.70 101.82 2jj1 s SER 33 Ca -0.17 0.56 -0.09 0.00 0.48 0.00 0.00 55.95 56.73 2jj1 s SER 33 Cb 0.00 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.71 2jj1 s SER 33 CO 0.71 -0.47 0.22 -0.51 0.98 0.00 0.00 173.24 174.17 2jj1 s ILE 34 N -0.95 0.04 0.00 -1.02 1.10 -1.26 0.02 121.20 119.13 2jj1 s ILE 34 Ca -0.10 -0.35 0.00 0.00 -0.51 0.00 0.00 60.65 59.70 2jj1 s ILE 34 Cb -0.03 -0.43 0.00 0.00 0.15 0.00 0.00 42.46 42.16 2jj1 s ILE 34 CO 0.06 -0.19 0.00 0.61 -2.11 0.00 0.00 174.94 173.31 2jj1 n GLY 35 N 2.06 0.43 1.92 1.50 0.00 -1.24 -4.96 105.19 104.90 2jj1 n GLY 35 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2jj1 n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jj1 n ASP 36 N 0.00 3.90 0.00 1.61 8.00 -1.26 -4.85 116.55 123.96 2jj1 n ASP 36 Ca 0.00 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.31 2jj1 n ASP 36 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 -0.53 0.20 3.24 0.44 0.00 -1.26 -4.81 105.19 102.47 2jj1 n GLY 37 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.55 2.39 -0.23 -0.61 -1.09 -1.26 -3.62 121.20 115.23 2jj1 s ILE 38 Ca 0.00 -0.88 -0.09 0.00 -2.23 0.00 0.00 60.65 57.46 2jj1 s ILE 38 Cb 0.00 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 2jj1 s ILE 38 CO 0.00 0.54 0.11 0.00 -1.23 0.00 0.00 174.94 174.36 2jj1 s ALA 39 N 0.65 3.40 -0.18 9.38 0.00 -1.05 -3.73 121.76 130.24 2jj1 s ALA 39 Ca -0.10 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 2jj1 s ALA 39 Cb -0.16 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 2jj1 s ALA 39 CO 0.02 -0.24 0.82 1.03 0.00 0.00 0.00 175.76 177.39 2jj1 s ARG 40 N 1.15 4.28 -0.17 0.00 1.81 0.10 -1.82 118.95 124.30 2jj1 s ARG 40 Ca 0.06 0.98 0.01 0.00 -1.72 0.00 0.00 55.73 55.05 2jj1 s ARG 40 Cb -0.14 -3.58 0.03 0.00 -0.45 0.00 0.00 34.95 30.80 2jj1 s ARG 40 CO 0.04 -0.35 -0.15 0.08 -0.68 0.00 0.00 175.30 174.25 2jj1 s VAL 41 N 2.22 1.74 0.28 3.52 1.01 -0.53 0.13 120.40 128.76 2jj1 s VAL 41 Ca 0.37 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2jj1 s VAL 41 Cb -0.16 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 2jj1 s VAL 41 CO 0.12 0.39 1.06 -2.28 0.00 0.00 0.00 175.10 174.38 2jj1 s HIS 42 N 1.40 3.66 0.00 5.22 2.46 -0.27 -0.58 115.29 127.18 2jj1 s HIS 42 Ca 0.03 1.75 0.00 0.00 0.47 0.00 0.00 55.06 57.31 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 -0.10 -0.31 0.00 0.41 -2.47 0.00 0.00 174.74 172.27 2jj1 n GLY 43 N 1.21 0.42 3.76 1.59 0.00 -1.26 -1.11 105.19 109.80 2jj1 n GLY 43 Ca -0.01 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.91 0.24 0.99 4.77 0.13 -4.68 117.00 115.55 2jj1 n LEU 44 Ca 0.00 -0.85 0.08 0.00 -0.03 0.00 0.00 56.01 55.21 2jj1 n LEU 44 Cb 0.00 -2.58 0.60 0.00 -2.33 0.00 0.00 43.42 39.11 2jj1 n LEU 44 CO 0.00 0.42 0.97 0.03 -1.33 0.00 0.00 177.39 177.47 2jj1 h ARG 45 N -1.88 0.00 -0.73 3.23 2.47 0.06 -2.57 114.38 114.96 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 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 2jj1 h ARG 45 CO 0.58 0.12 0.00 0.09 0.56 0.00 0.00 179.97 181.33 2jj1 n ASN 46 N -4.24 4.12 -4.72 7.04 3.02 -0.33 -5.00 115.26 115.15 2jj1 n ASN 46 Ca -0.03 -2.07 -0.33 0.00 -0.03 0.00 0.00 54.58 52.13 2jj1 n ASN 46 Cb 0.20 -0.51 0.11 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.13 2.49 0.20 2.41 -7.23 -0.97 -5.03 120.40 111.13 2jj1 s VAL 47 Ca 0.50 0.20 0.05 0.00 -1.81 0.00 0.00 61.98 60.92 2jj1 s VAL 47 Cb 0.27 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 2jj1 s VAL 47 CO 0.32 -0.16 0.28 -1.10 -0.31 0.00 0.00 175.10 174.13 2jj1 s GLN 48 N -4.26 3.28 0.30 4.82 -0.21 -1.26 -5.08 119.66 117.25 2jj1 s GLN 48 Ca 0.70 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 55.01 2jj1 s GLN 48 Cb -0.25 -2.83 -0.12 0.00 1.00 0.00 0.00 33.01 30.81 2jj1 s GLN 48 CO 0.50 0.46 1.48 0.00 -2.12 0.00 0.00 175.29 175.61 2jj1 n ALA 49 N -0.95 1.94 -1.25 6.09 0.00 -1.26 -2.82 120.51 122.25 2jj1 n ALA 49 Ca -0.08 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.65 2jj1 n ALA 49 Cb 0.56 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 2jj1 n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jj1 n GLU 50 N 1.67 -1.03 -3.10 0.00 1.02 0.07 -4.93 120.64 114.35 2jj1 n GLU 50 Ca 0.08 0.74 -0.35 0.00 -0.02 0.00 0.00 57.16 57.60 2jj1 n GLU 50 Cb 0.35 -4.75 -0.06 0.00 -0.02 0.00 0.00 31.44 26.96 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 -2.47 4.19 0.12 3.49 2.12 -1.13 -1.76 118.70 123.27 2jj1 s GLU 51 Ca 0.00 0.83 -0.30 0.00 0.36 0.00 0.00 54.97 55.85 2jj1 s GLU 51 Cb 0.00 -2.76 -0.07 0.00 0.26 0.00 0.00 34.13 31.56 2jj1 s GLU 51 CO 0.00 0.33 1.25 1.41 -0.54 0.00 0.00 175.26 177.71 2jj1 s MET 52 N -2.23 4.42 0.47 4.30 -2.45 0.21 -1.20 119.30 122.82 2jj1 s MET 52 Ca 0.46 1.90 0.07 0.00 -1.25 0.00 0.00 55.69 56.86 2jj1 s MET 52 Cb -0.15 -3.28 -0.00 0.00 1.25 0.00 0.00 34.83 32.65 2jj1 s MET 52 CO 0.20 -0.24 0.35 0.14 1.05 0.00 0.00 175.02 176.52 2jj1 s VAL 53 N 0.64 2.15 -0.14 10.11 -7.23 0.43 -3.02 120.40 123.34 2jj1 s VAL 53 Ca 0.58 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 59.24 2jj1 s VAL 53 Cb -0.33 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.04 2jj1 s VAL 53 CO 0.32 0.00 0.05 -0.70 -0.31 0.00 0.00 175.10 174.47 2jj1 s GLU 54 N -4.15 0.31 0.62 4.82 2.12 -0.03 -1.12 118.70 121.26 2jj1 s GLU 54 Ca 0.41 -0.08 -0.12 0.00 0.36 0.00 0.00 54.97 55.54 2jj1 s GLU 54 Cb -0.01 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.76 2jj1 s GLU 54 CO 0.24 -0.55 1.03 -0.06 -0.54 0.00 0.00 175.26 175.38 2jj1 s PHE 55 N 2.03 3.54 0.01 5.30 0.40 0.31 -1.74 117.98 127.82 2jj1 s PHE 55 Ca 0.02 1.33 0.29 0.00 -0.60 0.00 0.00 56.93 57.97 2jj1 s PHE 55 Cb -0.15 -2.75 1.50 0.00 0.51 0.00 0.00 43.02 42.12 2jj1 s PHE 55 CO -0.07 -0.72 1.88 0.66 0.70 0.00 0.00 175.22 177.67 2jj1 h SER 56 N -0.21 0.00 -0.30 1.36 4.64 -1.39 -1.79 113.55 115.87 2jj1 h SER 56 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jj1 h SER 56 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2jj1 h SER 56 CO 0.61 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.03 2jj1 n SER 57 N -2.54 2.43 0.00 4.97 3.41 -1.26 -4.95 113.62 115.68 2jj1 n SER 57 Ca -0.01 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 2jj1 n SER 57 Cb 0.09 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.28 3.32 3.76 5.00 0.00 -0.67 -5.06 105.19 112.81 2jj1 n GLY 58 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 3.97 0.16 0.99 1.43 -1.26 -4.77 118.68 119.20 2jj1 s LEU 59 Ca 0.00 2.57 0.03 0.00 -1.03 0.00 0.00 54.13 55.70 2jj1 s LEU 59 Cb 0.00 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 2jj1 s LEU 59 CO 0.00 -1.20 0.28 -0.54 0.23 0.00 0.00 176.35 175.12 2jj1 s LYS 60 N -2.72 3.39 0.23 1.70 -0.14 -1.26 -0.53 119.74 120.40 2jj1 s LYS 60 Ca 0.66 -0.65 -0.06 0.00 -1.36 0.00 0.00 55.97 54.56 2jj1 s LYS 60 Cb -0.35 -2.92 -0.02 0.00 -1.68 0.00 0.00 37.83 32.85 2jj1 s LYS 60 CO 0.43 0.51 0.31 0.20 -0.76 0.00 0.00 175.35 176.03 2jj1 s GLY 61 N -3.32 1.05 -0.07 -3.33 0.00 -0.28 -1.68 107.32 99.69 2jj1 s GLY 61 Ca 0.34 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.77 2jj1 s GLY 61 CO 0.28 -1.03 -0.17 -0.29 0.00 0.00 0.00 173.10 171.89 2jj1 s MET 62 N -4.03 2.08 -0.19 2.90 1.75 -0.22 -0.43 119.30 121.17 2jj1 s MET 62 Ca 0.31 -0.59 -0.29 0.00 -1.25 0.00 0.00 55.69 53.87 2jj1 s MET 62 Cb 0.03 -1.69 -0.03 0.00 2.84 0.00 0.00 34.83 35.98 2jj1 s MET 62 CO 0.11 0.13 1.62 -1.12 -0.65 0.00 0.00 175.02 175.12 2jj1 s SER 63 N 0.40 6.43 -0.08 1.11 0.01 -0.34 -1.13 113.70 120.10 2jj1 s SER 63 Ca -0.13 1.75 -0.10 0.00 1.31 0.00 0.00 55.95 58.79 2jj1 s SER 63 Cb -0.15 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2jj1 s SER 63 CO 0.05 -1.19 -0.20 -0.11 0.41 0.00 0.00 173.24 172.20 2jj1 n LEU 64 N 8.20 1.46 -4.31 2.44 7.94 0.19 -0.75 117.00 132.18 2jj1 n LEU 64 Ca 0.19 0.23 -0.40 0.00 -1.11 0.00 0.00 56.01 54.92 2jj1 n LEU 64 Cb 0.45 -0.54 -0.11 0.00 0.53 0.00 0.00 43.42 43.75 2jj1 n LEU 64 CO 0.64 -0.29 -0.14 0.20 -1.11 0.00 0.00 177.39 176.69 2jj1 s ASN 65 N -6.06 5.64 -0.72 1.96 -0.87 -0.81 -4.81 114.94 109.27 2jj1 s ASN 65 Ca -0.18 -1.30 -0.20 0.00 -1.57 0.00 0.00 52.86 49.62 2jj1 s ASN 65 Cb 0.04 -1.99 0.11 0.00 -0.02 0.00 0.00 41.25 39.38 2jj1 s ASN 65 CO 0.25 -0.47 0.91 -0.76 -2.57 0.00 0.00 177.10 174.46 2jj1 s LEU 66 N 1.47 5.03 0.22 0.60 1.43 -1.26 0.64 118.68 126.81 2jj1 s LEU 66 Ca 0.02 -1.52 0.07 0.00 -1.03 0.00 0.00 54.13 51.67 2jj1 s LEU 66 Cb -0.21 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2jj1 s LEU 66 CO 0.04 -1.19 0.13 -1.61 0.23 0.00 0.00 176.35 173.95 2jj1 s GLU 67 N 3.02 2.77 0.35 1.70 2.02 -0.45 -5.03 118.70 123.08 2jj1 s GLU 67 Ca 0.21 -1.06 0.16 0.00 0.02 0.00 0.00 54.97 54.30 2jj1 s GLU 67 Cb -0.16 -2.50 1.18 0.00 0.10 0.00 0.00 34.13 32.75 2jj1 s GLU 67 CO 0.02 0.42 1.62 -1.35 0.02 0.00 0.00 175.26 176.00 2jj1 h PRO 68 N 1.93 0.14 0.00 0.39 0.11 -2.04 -3.08 132.00 129.45 2jj1 h PRO 68 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jj1 h PRO 68 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jj1 h PRO 68 CO 0.61 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 2jj1 n ASP 69 N -5.19 1.67 -3.63 -2.05 3.85 -1.26 -5.08 116.55 104.86 2jj1 n ASP 69 Ca 0.34 -1.77 -0.05 0.00 -0.71 0.00 0.00 54.79 52.59 2jj1 n ASP 69 Cb 1.10 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.86 2jj1 n ASP 69 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2jj1 s ASN 70 N -0.77 -0.25 -0.12 -1.12 2.20 -1.17 -4.63 114.94 109.08 2jj1 s ASN 70 Ca 0.00 -0.20 -0.01 0.00 -0.94 0.00 0.00 52.86 51.71 2jj1 s ASN 70 Cb 0.00 0.41 -0.02 0.00 -2.00 0.00 0.00 41.25 39.64 2jj1 s ASN 70 CO 0.00 -0.72 -0.07 -0.69 -2.94 0.00 0.00 177.10 172.68 2jj1 s VAL 71 N -3.14 3.60 -0.35 3.54 1.01 0.25 -1.34 120.40 123.97 2jj1 s VAL 71 Ca 0.09 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 2jj1 s VAL 71 Cb -0.01 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2jj1 s VAL 71 CO -0.03 0.53 0.79 -0.83 0.00 0.00 0.00 175.10 175.55 2jj1 s GLY 72 N 0.05 1.66 -0.28 4.51 0.00 0.21 -1.45 107.32 112.02 2jj1 s GLY 72 Ca -0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 44.72 44.08 2jj1 s GLY 72 CO 0.03 1.76 -0.03 0.14 0.00 0.00 0.00 173.10 175.00 2jj1 s VAL 73 N 3.08 2.94 -0.00 1.40 1.01 -0.76 0.52 120.40 128.60 2jj1 s VAL 73 Ca 0.32 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 2jj1 s VAL 73 Cb -0.13 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2jj1 s VAL 73 CO 0.16 0.04 1.19 -0.69 0.00 0.00 0.00 175.10 175.80 2jj1 s VAL 74 N 1.29 4.20 -0.26 2.92 1.01 -0.28 -2.52 120.40 126.75 2jj1 s VAL 74 Ca -0.03 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.37 2jj1 s VAL 74 Cb -0.18 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2jj1 s VAL 74 CO -0.03 0.06 0.31 -0.69 0.00 0.00 0.00 175.10 174.75 2jj1 s VAL 75 N 1.65 5.23 -0.21 2.92 1.01 -1.24 -1.06 120.40 128.71 2jj1 s VAL 75 Ca 0.57 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 2jj1 s VAL 75 Cb -0.27 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.51 2jj1 s VAL 75 CO 0.26 0.22 2.51 0.49 0.00 0.00 0.00 175.10 178.57 2jj1 n PHE 76 N 5.02 0.87 -3.04 5.22 3.01 -0.68 -4.61 117.46 123.26 2jj1 n PHE 76 Ca -0.11 -1.64 0.00 0.00 1.01 0.00 0.00 57.45 56.72 2jj1 n PHE 76 Cb 0.51 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.91 2jj1 n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jj1 n GLY 77 N 1.18 -0.58 3.64 1.37 0.00 -1.26 -4.71 105.19 104.82 2jj1 n GLY 77 Ca 0.30 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 6.86 0.00 1.61 2.47 -1.26 -4.76 114.94 115.86 2jj1 s ASN 78 Ca 0.00 1.20 0.24 0.00 0.42 0.00 0.00 52.86 54.72 2jj1 s ASN 78 Cb 0.00 -2.54 1.42 0.00 -1.45 0.00 0.00 41.25 38.68 2jj1 s ASN 78 CO 0.00 -0.92 1.90 -0.90 -3.72 0.00 0.00 177.10 173.47 2jj1 n ASP 79 N 7.04 0.00 -0.33 -4.21 5.75 -1.26 -2.73 116.55 120.82 2jj1 n ASP 79 Ca 0.13 -1.23 0.08 0.00 -0.01 0.00 0.00 54.79 53.76 2jj1 n ASP 79 Cb 0.47 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.80 2jj1 n ASP 79 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2jj1 h LYS 80 N 0.00 0.78 0.00 0.11 3.64 -2.00 -2.48 116.57 116.61 2jj1 h LYS 80 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jj1 h LYS 80 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2jj1 h LYS 80 CO 0.00 0.51 0.00 1.28 -2.27 0.00 0.00 179.45 178.97 2jj1 n LEU 81 N -4.75 0.58 -4.73 5.20 4.77 -1.10 -4.69 117.00 112.28 2jj1 n LEU 81 Ca 0.18 0.64 -0.37 0.00 -0.03 0.00 0.00 56.01 56.44 2jj1 n LEU 81 Cb 0.41 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 2jj1 n LEU 81 CO 0.24 -0.51 0.01 -0.63 -1.33 0.00 0.00 177.39 175.16 2jj1 s ILE 82 N -3.27 5.29 0.23 -0.08 1.01 -0.94 -4.87 121.20 118.58 2jj1 s ILE 82 Ca 0.05 0.59 0.11 0.00 0.00 0.00 0.00 60.65 61.40 2jj1 s ILE 82 Cb 0.09 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 2jj1 s ILE 82 CO 0.38 0.38 -0.21 -0.54 0.00 0.00 0.00 174.94 174.95 2jj1 s LYS 83 N 0.50 1.54 0.10 2.79 1.02 -1.26 -4.94 119.74 119.49 2jj1 s LYS 83 Ca 0.17 -1.62 -0.31 0.00 0.02 0.00 0.00 55.97 54.24 2jj1 s LYS 83 Cb -0.13 -1.69 -0.09 0.00 -0.52 0.00 0.00 37.83 35.39 2jj1 s LYS 83 CO 0.04 0.34 1.68 -2.00 -0.92 0.00 0.00 175.35 174.49 2jj1 s GLU 84 N -3.11 4.19 0.00 1.68 2.12 -1.26 -2.16 118.70 120.16 2jj1 s GLU 84 Ca 0.24 2.40 0.00 0.00 0.36 0.00 0.00 54.97 57.97 2jj1 s GLU 84 Cb -0.06 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2jj1 s GLU 84 CO 0.11 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 2jj1 n GLY 85 N 4.00 0.41 3.77 -1.50 0.00 -0.03 -4.94 105.19 106.90 2jj1 n GLY 85 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.16 6.49 -0.00 1.61 -0.00 -0.92 -4.60 116.67 117.09 2jj1 s ASP 86 Ca 0.00 2.32 -0.21 0.00 -0.00 0.00 0.00 52.55 54.66 2jj1 s ASP 86 Cb 0.00 -2.61 -0.05 0.00 -0.00 0.00 0.00 42.92 40.26 2jj1 s ASP 86 CO 0.00 -0.70 0.61 -0.63 -0.00 0.00 0.00 175.17 174.45 2jj1 s ILE 87 N -1.45 4.90 -0.12 0.77 1.01 -1.26 -1.22 121.20 123.83 2jj1 s ILE 87 Ca 0.58 1.27 0.03 0.00 0.00 0.00 0.00 60.65 62.53 2jj1 s ILE 87 Cb -0.30 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.24 2jj1 s ILE 87 CO 0.37 0.41 -0.21 -0.69 0.00 0.00 0.00 174.94 174.82 2jj1 s VAL 88 N -0.16 1.92 0.00 2.92 1.01 0.72 -1.00 120.40 125.81 2jj1 s VAL 88 Ca 0.32 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2jj1 s VAL 88 Cb -0.18 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2jj1 s VAL 88 CO 0.18 0.52 -0.12 -0.54 0.00 0.00 0.00 175.10 175.14 2jj1 s LYS 89 N 0.66 2.39 0.79 2.72 1.02 -0.71 -0.40 119.74 126.21 2jj1 s LYS 89 Ca -0.12 -0.80 -0.13 0.00 0.02 0.00 0.00 55.97 54.94 2jj1 s LYS 89 Cb -0.16 -2.38 0.08 0.00 -0.52 0.00 0.00 37.83 34.84 2jj1 s LYS 89 CO 0.03 0.59 1.19 1.03 -0.92 0.00 0.00 175.35 177.26 2jj1 s ARG 90 N -1.29 1.75 -0.00 1.68 0.52 -0.69 -0.85 118.95 120.07 2jj1 s ARG 90 Ca 0.15 1.70 0.02 0.00 -0.52 0.00 0.00 55.73 57.09 2jj1 s ARG 90 Cb -0.11 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 2jj1 s ARG 90 CO 0.05 -2.12 0.09 0.25 0.02 0.00 0.00 175.30 173.60 2jj1 n THR 91 N -3.24 0.00 0.00 0.02 -2.24 -1.17 -4.78 114.28 102.88 2jj1 n THR 91 Ca 0.13 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2jj1 n THR 91 Cb 0.51 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2jj1 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj1 n GLY 92 N 1.30 2.22 3.36 3.38 0.00 -1.26 -5.01 105.19 109.18 2jj1 n GLY 92 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.61 2.53 0.32 4.61 0.00 -1.26 -5.01 121.76 120.33 2jj1 s ALA 93 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 2jj1 s ALA 93 Cb 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 23.12 21.94 2jj1 s ALA 93 CO 0.00 0.33 1.57 -0.89 0.00 0.00 0.00 175.76 176.76 2jj1 n ILE 94 N 3.25 1.36 -1.60 0.00 2.08 -1.26 -0.62 119.36 122.57 2jj1 n ILE 94 Ca -0.18 -0.34 -0.64 0.00 0.56 0.00 0.00 62.75 62.15 2jj1 n ILE 94 Cb 0.53 -1.99 -0.10 0.00 -0.75 0.00 0.00 39.64 37.33 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 1.56 0.05 -4.31 1.39 0.31 -0.72 -4.74 118.33 111.87 2jj1 n VAL 95 Ca 0.06 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.20 2jj1 n VAL 95 Cb 0.38 -0.64 -0.10 0.00 -0.91 0.00 0.00 33.84 32.57 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 4.04 1.18 0.07 4.52 3.84 -1.26 -2.24 116.67 126.82 2jj1 s ASP 96 Ca 1.08 -1.45 0.02 0.00 -0.00 0.00 0.00 52.55 52.20 2jj1 s ASP 96 Cb -1.42 0.28 -0.03 0.00 -1.38 0.00 0.00 42.92 40.37 2jj1 s ASP 96 CO 0.74 -0.81 -0.07 0.68 -0.00 0.00 0.00 175.17 175.72 2jj1 s VAL 97 N -3.75 0.61 0.97 2.11 -7.23 -0.34 -4.86 120.40 107.91 2jj1 s VAL 97 Ca 0.37 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.88 2jj1 s VAL 97 Cb 0.07 -1.21 0.17 0.00 0.56 0.00 0.00 36.38 35.97 2jj1 s VAL 97 CO 0.15 -0.66 1.07 -0.81 -0.31 0.00 0.00 175.10 174.54 2jj1 n PRO 98 N 0.62 -0.84 -3.49 4.82 -0.04 -1.26 -1.62 135.00 133.19 2jj1 n PRO 98 Ca -0.17 -0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 62.98 2jj1 n PRO 98 Cb 0.58 -2.31 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 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 -2.58 0.00 -1.55 0.52 1.01 -1.06 -4.74 120.40 111.99 2jj1 s VAL 99 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2jj1 s VAL 99 Cb -0.23 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2jj1 s VAL 99 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2jj1 n GLY 100 N 0.19 0.51 0.24 4.51 0.00 -1.26 -3.98 105.19 105.39 2jj1 n GLY 100 Ca -0.15 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 43.81 2jj1 n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jj1 h GLU 101 N 8.62 0.00 0.00 1.61 5.08 -1.99 -3.22 114.58 124.68 2jj1 h GLU 101 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jj1 h GLU 101 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jj1 h GLU 101 CO 0.00 0.07 0.00 -0.85 -1.00 0.00 0.00 179.01 177.23 2jj1 n GLU 102 N -3.15 0.02 0.00 2.33 0.00 -1.26 -1.92 120.64 116.66 2jj1 n GLU 102 Ca 0.02 0.20 0.14 0.00 0.00 0.00 0.00 57.16 57.53 2jj1 n GLU 102 Cb 0.44 -1.54 0.64 0.00 0.00 0.00 0.00 31.44 30.99 2jj1 n GLU 102 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2jj1 n LEU 103 N -1.57 0.09 -4.77 -1.84 4.77 -1.22 -4.69 117.00 107.77 2jj1 n LEU 103 Ca 0.04 0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.96 2jj1 n LEU 103 Cb 0.22 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2jj1 n LEU 103 CO 0.17 0.02 0.87 -0.76 -1.33 0.00 0.00 177.39 176.37 2jj1 s LEU 104 N -2.79 4.28 0.00 2.23 1.43 -0.81 -2.56 118.68 120.47 2jj1 s LEU 104 Ca 0.21 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 2jj1 s LEU 104 Cb 0.19 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2jj1 s LEU 104 CO 0.51 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2jj1 n GLY 105 N 0.74 0.37 3.59 -3.19 0.00 -0.09 -4.93 105.19 101.67 2jj1 n GLY 105 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.66 2.13 -0.14 1.61 1.81 -1.06 -4.91 118.95 117.73 2jj1 s ARG 106 Ca 0.00 -1.19 -0.01 0.00 -1.72 0.00 0.00 55.73 52.81 2jj1 s ARG 106 Cb 0.00 -2.22 -0.02 0.00 -0.45 0.00 0.00 34.95 32.26 2jj1 s ARG 106 CO 0.00 0.45 -0.11 0.08 -0.68 0.00 0.00 175.30 175.05 2jj1 s VAL 107 N -1.59 3.27 0.13 3.52 1.01 -1.26 -1.88 120.40 123.59 2jj1 s VAL 107 Ca 0.24 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2jj1 s VAL 107 Cb -0.09 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2jj1 s VAL 107 CO 0.15 0.51 -0.05 0.68 0.00 0.00 0.00 175.10 176.40 2jj1 s VAL 108 N 0.37 0.76 0.96 2.92 -7.23 -0.24 -1.39 120.40 116.56 2jj1 s VAL 108 Ca -0.09 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 2jj1 s VAL 108 Cb -0.15 -1.82 0.23 0.00 0.56 0.00 0.00 36.38 35.19 2jj1 s VAL 108 CO 0.05 -0.75 1.23 -0.90 -0.31 0.00 0.00 175.10 174.41 2jj1 n ASP 109 N -0.12 -0.24 0.30 4.85 5.68 -0.44 -0.48 116.55 126.10 2jj1 n ASP 109 Ca -0.10 -1.40 0.17 0.00 -0.50 0.00 0.00 54.79 52.95 2jj1 n ASP 109 Cb 0.61 -0.96 0.96 0.00 -1.14 0.00 0.00 41.12 40.60 2jj1 n ASP 109 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jj1 h ALA 110 N -1.95 1.32 0.00 2.12 0.00 -1.86 -2.67 119.26 116.22 2jj1 h ALA 110 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2jj1 h ALA 110 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jj1 h ALA 110 CO 0.28 0.03 -0.55 1.28 0.00 0.00 0.00 179.25 180.29 2jj1 n LEU 111 N -3.57 0.54 0.00 0.00 4.77 -1.26 -4.64 117.00 112.84 2jj1 n LEU 111 Ca -0.03 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2jj1 n LEU 111 Cb 0.11 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2jj1 n LEU 111 CO 0.26 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2jj1 n GLY 112 N 1.45 2.33 3.70 -0.72 0.00 -1.01 -4.58 105.19 106.37 2jj1 n GLY 112 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 2jj1 n GLY 112 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jj1 n ASN 113 N 0.00 3.59 -4.74 1.61 3.02 -1.26 -4.68 115.26 112.80 2jj1 n ASN 113 Ca 0.00 1.07 -0.42 0.00 -0.03 0.00 0.00 54.58 55.21 2jj1 n ASN 113 Cb 0.00 -1.51 -0.02 0.00 -0.61 0.00 0.00 39.78 37.64 2jj1 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jj1 s ALA 114 N 1.04 3.72 0.00 5.41 0.00 -1.26 -1.32 121.76 129.34 2jj1 s ALA 114 Ca 0.77 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2jj1 s ALA 114 Cb -0.58 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2jj1 s ALA 114 CO 0.35 -0.83 0.73 0.44 0.00 0.00 0.00 175.76 176.44 2jj1 n ILE 115 N 2.83 0.50 0.77 0.00 -5.35 -0.49 -4.65 119.36 112.98 2jj1 n ILE 115 Ca 0.10 -0.70 0.11 0.00 -0.27 0.00 0.00 62.75 61.98 2jj1 n ILE 115 Cb 0.39 0.79 0.29 0.00 -1.74 0.00 0.00 39.64 39.37 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 -0.25 2.53 -0.91 7.28 5.75 -1.21 -4.94 116.55 124.81 2jj1 n ASP 116 Ca 0.00 -1.86 -0.12 0.00 -0.01 0.00 0.00 54.79 52.80 2jj1 n ASP 116 Cb 0.16 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 2jj1 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jj1 n GLY 117 N 1.30 1.23 1.70 6.12 0.00 -1.26 -4.88 105.19 109.40 2jj1 n GLY 117 Ca 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.94 3.12 -0.00 1.61 5.02 -1.26 -5.04 118.16 119.66 2jj1 n LYS 118 Ca -0.12 -2.31 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 2jj1 n LYS 118 Cb 0.48 -2.00 -0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 -0.02 -1.48 3.61 0.72 0.00 -1.26 -4.94 105.19 101.81 2jj1 n GLY 119 Ca 0.30 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.48 0.68 -2.57 1.61 -0.02 -1.26 -4.88 135.00 127.08 2jj1 n PRO 120 Ca -0.00 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2jj1 n PRO 120 Cb 0.00 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 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 -1.66 4.27 -0.24 4.25 -1.09 -1.26 -4.94 121.20 120.52 2jj1 s ILE 121 Ca 0.75 1.76 -0.01 0.00 -2.23 0.00 0.00 60.65 60.92 2jj1 s ILE 121 Cb -0.38 -4.13 0.13 0.00 -1.58 0.00 0.00 42.46 36.50 2jj1 s ILE 121 CO 0.48 0.21 2.16 0.61 -1.23 0.00 0.00 174.94 177.18 2jj1 n GLY 122 N 2.62 3.72 3.77 6.18 0.00 -1.26 -4.97 105.19 115.24 2jj1 n GLY 122 Ca 0.05 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2jj1 n GLY 122 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jj1 s SER 123 N 0.69 6.83 -0.11 1.61 0.15 -1.26 -4.95 113.70 116.65 2jj1 s SER 123 Ca 0.28 2.62 0.09 0.00 0.70 0.00 0.00 55.95 59.64 2jj1 s SER 123 Cb 0.21 -2.64 -0.13 0.00 -1.71 0.00 0.00 66.02 61.74 2jj1 s SER 123 CO -0.02 -0.48 0.02 0.29 1.20 0.00 0.00 173.24 174.24 2jj1 n LYS 124 N 0.82 1.98 -4.33 5.44 5.02 -1.26 -5.02 118.16 120.81 2jj1 n LYS 124 Ca -0.00 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.05 2jj1 n LYS 124 Cb 0.42 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.27 3.27 0.01 7.82 0.00 -1.26 -5.08 121.76 124.27 2jj1 s ALA 125 Ca -0.07 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 49.86 2jj1 s ALA 125 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 2jj1 s ALA 125 CO 0.43 -0.00 -0.03 1.03 0.00 0.00 0.00 175.76 177.19 2jj1 s ARG 126 N -3.75 0.21 0.02 0.00 0.52 -1.26 -2.57 118.95 112.12 2jj1 s ARG 126 Ca 0.36 -0.30 0.07 0.00 -0.52 0.00 0.00 55.73 55.34 2jj1 s ARG 126 Cb 0.02 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.42 2jj1 s ARG 126 CO 0.20 0.01 -0.20 0.50 0.02 0.00 0.00 175.30 175.82 2jj1 s ARG 127 N -0.65 1.43 0.34 3.54 3.52 -0.64 -4.93 118.95 121.56 2jj1 s ARG 127 Ca -0.06 -0.84 -0.28 0.00 -0.13 0.00 0.00 55.73 54.41 2jj1 s ARG 127 Cb -0.05 -1.48 -0.10 0.00 -1.56 0.00 0.00 34.95 31.76 2jj1 s ARG 127 CO -0.00 0.39 1.31 1.03 -0.81 0.00 0.00 175.30 177.22 2jj1 s ARG 128 N -0.92 4.31 0.39 5.12 0.52 -1.26 -1.20 118.95 125.91 2jj1 s ARG 128 Ca 0.07 2.22 0.27 0.00 -0.52 0.00 0.00 55.73 57.77 2jj1 s ARG 128 Cb -0.08 -3.03 0.85 0.00 0.52 0.00 0.00 34.95 33.20 2jj1 s ARG 128 CO 0.01 -0.23 1.77 -0.39 0.02 0.00 0.00 175.30 176.48 2jj1 h VAL 129 N 2.97 0.00 -0.32 3.52 -1.51 -1.76 -3.31 116.25 115.84 2jj1 h VAL 129 Ca -0.49 -0.61 -0.02 0.00 -1.23 0.00 0.00 66.70 64.35 2jj1 h VAL 129 Cb 1.23 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 2jj1 h VAL 129 CO 0.65 0.00 0.01 0.61 -1.23 0.00 0.00 177.57 177.61 2jj1 n GLY 130 N 0.65 3.95 3.77 5.19 0.00 -1.26 -4.68 105.19 112.81 2jj1 n GLY 130 Ca 0.03 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.85 4.37 0.31 0.99 1.43 -1.25 -4.94 118.68 116.74 2jj1 s LEU 131 Ca 0.44 2.85 -0.29 0.00 -1.03 0.00 0.00 54.13 56.10 2jj1 s LEU 131 Cb 0.36 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.83 2jj1 s LEU 131 CO 0.09 -0.73 1.15 -0.75 0.23 0.00 0.00 176.35 176.33 2jj1 s LYS 132 N -1.48 4.51 0.44 1.70 2.20 -1.26 -4.96 119.74 120.89 2jj1 s LYS 132 Ca 0.54 1.88 -0.25 0.00 -0.36 0.00 0.00 55.97 57.77 2jj1 s LYS 132 Cb -0.44 -3.09 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 2jj1 s LYS 132 CO 0.54 0.06 1.40 0.00 -0.36 0.00 0.00 175.35 177.00 2jj1 s ALA 133 N -1.21 3.24 -0.19 3.13 0.00 -1.26 -4.88 121.76 120.60 2jj1 s ALA 133 Ca 0.47 1.42 -0.41 0.00 0.00 0.00 0.00 51.96 53.44 2jj1 s ALA 133 Cb -0.33 -3.57 -0.18 0.00 0.00 0.00 0.00 23.12 19.04 2jj1 s ALA 133 CO 0.43 -1.13 1.44 -2.30 0.00 0.00 0.00 175.76 174.20 2jj1 n PRO 134 N -0.15 0.52 0.00 0.00 -0.02 -1.26 -4.97 135.00 129.12 2jj1 n PRO 134 Ca 0.05 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2jj1 n PRO 134 Cb 0.42 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2jj1 n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jj1 n GLY 135 N 3.06 -2.61 0.08 -1.23 0.00 -1.26 -4.96 105.19 98.27 2jj1 n GLY 135 Ca 0.24 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.37 1.28 -0.43 -0.61 2.04 -1.99 -3.38 117.51 114.05 2jj1 h ILE 136 Ca 0.00 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 2jj1 h ILE 136 Cb 0.00 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2jj1 h ILE 136 CO 0.00 0.30 0.22 0.40 0.00 0.00 0.00 178.15 179.07 2jj1 h ILE 137 N -0.64 1.17 0.00 -0.67 1.08 -2.03 -3.05 117.51 113.37 2jj1 h ILE 137 Ca -0.01 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 2jj1 h ILE 137 Cb 0.55 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2jj1 h ILE 137 CO 0.01 0.18 0.00 -2.65 -0.69 0.00 0.00 178.15 175.00 2jj1 n PRO 138 N -4.68 0.08 -2.91 2.37 -0.02 -1.26 -4.78 135.00 123.80 2jj1 n PRO 138 Ca 0.01 0.43 -0.22 0.00 -2.02 0.00 0.00 63.50 61.70 2jj1 n PRO 138 Cb 0.10 -1.70 0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 -3.20 2.89 -0.06 -0.52 0.52 -1.15 -0.68 118.95 116.75 2jj1 s ARG 139 Ca 0.03 -0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 54.36 2jj1 s ARG 139 Cb 0.07 -2.56 0.05 0.00 0.52 0.00 0.00 34.95 33.02 2jj1 s ARG 139 CO 0.24 -0.39 0.51 -1.50 0.02 0.00 0.00 175.30 174.17 2jj1 s ILE 140 N -2.59 0.02 0.56 1.52 2.07 -0.99 -4.47 121.20 117.32 2jj1 s ILE 140 Ca 0.51 -0.19 -0.19 0.00 -1.41 0.00 0.00 60.65 59.36 2jj1 s ILE 140 Cb -0.10 -0.81 -0.07 0.00 0.13 0.00 0.00 42.46 41.61 2jj1 s ILE 140 CO 0.37 -0.11 0.82 -1.54 -1.91 0.00 0.00 174.94 172.58 2jj1 n SER 141 N 1.32 0.23 -4.76 4.50 3.41 -1.26 -4.52 113.62 112.53 2jj1 n SER 141 Ca -0.19 0.82 -0.37 0.00 -0.26 0.00 0.00 58.87 58.87 2jj1 n SER 141 Cb 0.56 -1.31 0.01 0.00 -0.26 0.00 0.00 64.21 63.22 2jj1 n SER 141 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2jj1 s VAL 142 N -1.54 2.87 0.00 -3.33 -7.23 -1.26 -4.92 120.40 104.99 2jj1 s VAL 142 Ca 0.71 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 61.49 2jj1 s VAL 142 Cb -0.45 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.20 2jj1 s VAL 142 CO 0.51 -0.05 0.00 -2.11 -0.31 0.00 0.00 175.10 173.14 2jj1 n ARG 143 N -0.95 0.00 -4.23 4.82 1.85 -1.26 -4.47 116.66 112.42 2jj1 n ARG 143 Ca 0.10 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.61 2jj1 n ARG 143 Cb 0.48 -0.01 -0.11 0.00 -1.05 0.00 0.00 32.46 31.77 2jj1 n ARG 143 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2jj1 s GLU 144 N 0.00 3.75 0.32 2.89 2.02 -1.26 -4.48 118.70 121.94 2jj1 s GLU 144 Ca 0.00 -0.43 -0.28 0.00 0.02 0.00 0.00 54.97 54.27 2jj1 s GLU 144 Cb 0.00 -3.03 -0.13 0.00 0.10 0.00 0.00 34.13 31.07 2jj1 s GLU 144 CO 0.00 0.30 1.21 -2.30 0.02 0.00 0.00 175.26 174.49 2jj1 n PRO 145 N 3.41 1.89 -3.74 0.39 -0.02 -1.15 -0.98 135.00 134.80 2jj1 n PRO 145 Ca -0.17 0.66 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 2jj1 n PRO 145 Cb 0.52 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.72 2.62 -0.23 -0.52 1.75 0.11 -4.59 119.30 116.73 2jj1 s MET 146 Ca 0.57 -2.74 -0.29 0.00 -1.25 0.00 0.00 55.69 51.97 2jj1 s MET 146 Cb -0.61 -3.70 -0.01 0.00 2.84 0.00 0.00 34.83 33.34 2jj1 s MET 146 CO 0.61 -1.19 1.42 -0.65 -0.65 0.00 0.00 175.02 174.56 2jj1 s GLN 147 N -0.44 3.97 0.11 4.11 -1.52 -1.26 -4.44 119.66 120.19 2jj1 s GLN 147 Ca 0.19 1.54 -0.04 0.00 -1.95 0.00 0.00 55.36 55.10 2jj1 s GLN 147 Cb -0.18 -3.91 -0.16 0.00 -0.22 0.00 0.00 33.01 28.55 2jj1 s GLN 147 CO -0.05 -1.06 1.25 1.79 -0.25 0.00 0.00 175.29 176.96 2jj1 h THR 148 N 5.89 1.43 0.00 -0.19 1.35 -1.92 -3.45 112.91 116.01 2jj1 h THR 148 Ca -0.30 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 62.91 2jj1 h THR 148 Cb 1.12 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 2jj1 h THR 148 CO 1.00 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 177.67 2jj1 n GLY 149 N 1.15 0.71 3.55 5.82 0.00 -1.26 -3.72 105.19 111.44 2jj1 n GLY 149 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.47 4.76 0.06 -0.61 1.01 -1.26 0.15 121.20 122.83 2jj1 s ILE 150 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 2jj1 s ILE 150 Cb 0.00 -3.21 -0.17 0.00 0.01 0.00 0.00 42.46 39.09 2jj1 s ILE 150 CO 0.00 0.36 1.56 0.11 0.00 0.00 0.00 174.94 176.97 2jj1 h LYS 151 N 7.73 -0.48 -0.92 2.79 1.57 -1.94 0.34 116.57 125.65 2jj1 h LYS 151 Ca -0.37 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.57 2jj1 h LYS 151 Cb 1.18 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.52 2jj1 h LYS 151 CO 0.62 -0.26 0.59 0.00 -0.57 0.00 0.00 179.45 179.82 2jj1 h ALA 152 N 0.02 1.70 0.26 3.86 0.00 -1.92 -1.81 119.26 121.37 2jj1 h ALA 152 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jj1 h ALA 152 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jj1 h ALA 152 CO 0.08 0.07 -0.12 0.28 0.00 0.00 0.00 179.25 179.56 2jj1 h VAL 153 N 0.82 0.00 -0.21 0.00 2.07 -1.83 -1.91 116.25 115.19 2jj1 h VAL 153 Ca 0.45 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2jj1 h VAL 153 Cb 0.58 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2jj1 h VAL 153 CO -0.22 0.00 0.15 0.44 0.02 0.00 0.00 177.57 177.97 2jj1 h ASP 154 N -0.92 0.00 0.05 0.57 3.32 -0.87 0.40 116.42 118.96 2jj1 h ASP 154 Ca -0.04 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.76 2jj1 h ASP 154 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2jj1 h ASP 154 CO 0.06 0.00 -1.37 0.77 -1.72 0.00 0.00 179.24 176.98 2jj1 h SER 155 N 0.00 0.15 0.08 6.45 4.64 -1.47 -3.38 113.55 120.01 2jj1 h SER 155 Ca 0.10 -0.69 -0.37 0.00 -0.47 0.00 0.00 61.79 60.36 2jj1 h SER 155 Cb 0.41 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 2jj1 h SER 155 CO -0.00 1.56 -2.12 0.18 -0.87 0.00 0.00 176.83 175.58 2jj1 n LEU 156 N -4.16 2.67 -2.83 5.97 4.77 -0.72 -4.57 117.00 118.13 2jj1 n LEU 156 Ca -0.30 0.12 -0.28 0.00 -0.03 0.00 0.00 56.01 55.52 2jj1 n LEU 156 Cb 0.78 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2jj1 n LEU 156 CO 0.28 0.84 0.27 0.52 -1.33 0.00 0.00 177.39 177.97 2jj1 n VAL 157 N -3.50 3.05 -2.41 4.08 0.31 0.14 -4.82 118.33 115.17 2jj1 n VAL 157 Ca -0.37 -5.37 -0.38 0.00 -0.01 0.00 0.00 64.34 58.21 2jj1 n VAL 157 Cb 1.00 -1.36 -0.03 0.00 -0.91 0.00 0.00 33.84 32.54 2jj1 n VAL 157 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2jj1 s PRO 158 N -3.56 4.21 -0.03 5.55 0.04 -1.00 -4.63 135.00 135.57 2jj1 s PRO 158 Ca 0.48 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.29 2jj1 s PRO 158 Cb 0.32 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 2jj1 s PRO 158 CO -0.16 -0.15 -0.15 0.42 0.04 0.00 0.00 177.00 177.00 2jj1 s ILE 159 N -1.44 3.02 0.23 0.56 1.01 -1.26 -3.95 121.20 119.37 2jj1 s ILE 159 Ca 0.55 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 60.48 2jj1 s ILE 159 Cb -0.28 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2jj1 s ILE 159 CO 0.36 0.55 0.05 -0.83 0.00 0.00 0.00 174.94 175.06 2jj1 s GLY 160 N -0.85 1.62 -0.09 6.18 0.00 -1.26 0.10 107.32 113.02 2jj1 s GLY 160 Ca 0.12 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.05 2jj1 s GLY 160 CO 0.01 -1.54 1.52 0.50 0.00 0.00 0.00 173.10 173.59 2jj1 s ARG 161 N -3.46 4.20 0.00 2.90 0.52 -0.15 -2.08 118.95 120.87 2jj1 s ARG 161 Ca 0.30 2.01 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 2jj1 s ARG 161 Cb -0.08 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.49 2jj1 s ARG 161 CO 0.21 -0.79 0.00 0.41 0.02 0.00 0.00 175.30 175.15 2jj1 n GLY 162 N 3.94 1.58 3.84 -3.53 0.00 -1.22 -4.47 105.19 105.33 2jj1 n GLY 162 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.12 4.04 -0.25 1.61 0.74 -0.89 -2.69 119.66 122.10 2jj1 s GLN 163 Ca 0.00 0.93 -0.10 0.00 0.05 0.00 0.00 55.36 56.25 2jj1 s GLN 163 Cb 0.00 -2.21 -0.05 0.00 1.10 0.00 0.00 33.01 31.86 2jj1 s GLN 163 CO 0.00 -0.12 0.15 1.03 -0.55 0.00 0.00 175.29 175.80 2jj1 s ARG 164 N -3.62 3.95 -0.10 1.67 3.00 -1.26 -1.83 118.95 120.77 2jj1 s ARG 164 Ca 0.59 -0.33 0.01 0.00 0.00 0.00 0.00 55.73 56.00 2jj1 s ARG 164 Cb -0.10 -3.52 0.02 0.00 0.00 0.00 0.00 34.95 31.36 2jj1 s ARG 164 CO 0.23 -0.05 -0.10 -2.00 0.00 0.00 0.00 175.30 173.38 2jj1 s GLU 165 N 1.34 1.69 0.03 3.54 2.56 -0.54 0.00 118.70 127.32 2jj1 s GLU 165 Ca 0.07 -0.35 -0.24 0.00 0.00 0.00 0.00 54.97 54.44 2jj1 s GLU 165 Cb -0.15 -1.57 -0.05 0.00 2.00 0.00 0.00 34.13 34.36 2jj1 s GLU 165 CO 0.06 -0.14 0.75 -1.17 -0.56 0.00 0.00 175.26 174.20 2jj1 s LEU 166 N 1.24 4.44 -0.31 2.70 2.96 -0.89 -3.47 118.68 125.34 2jj1 s LEU 166 Ca -0.03 1.40 -0.10 0.00 -0.22 0.00 0.00 54.13 55.18 2jj1 s LEU 166 Cb -0.14 -3.19 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 2jj1 s LEU 166 CO -0.03 0.01 0.17 -0.63 -1.32 0.00 0.00 176.35 174.55 2jj1 s ILE 167 N -0.00 4.79 -0.02 6.68 1.01 0.48 0.26 121.20 134.40 2jj1 s ILE 167 Ca 0.38 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2jj1 s ILE 167 Cb -0.20 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 2jj1 s ILE 167 CO 0.22 0.07 -0.13 -0.51 0.00 0.00 0.00 174.94 174.60 2jj1 s ILE 168 N 1.65 1.03 0.00 2.92 2.07 -0.50 -0.72 121.20 127.66 2jj1 s ILE 168 Ca 0.05 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 2jj1 s ILE 168 Cb -0.17 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.54 2jj1 s ILE 168 CO 0.07 0.30 0.00 0.61 -1.91 0.00 0.00 174.94 174.01 2jj1 n GLY 169 N 2.97 1.80 3.46 1.50 0.00 -0.79 -1.14 105.19 112.98 2jj1 n GLY 169 Ca -0.16 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2jj1 n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jj1 n ASP 170 N 0.00 -1.64 -4.66 1.61 9.92 -1.26 -1.28 116.55 119.24 2jj1 n ASP 170 Ca 0.00 -0.10 -0.39 0.00 -0.53 0.00 0.00 54.79 53.77 2jj1 n ASP 170 Cb 0.00 -1.24 0.04 0.00 -0.64 0.00 0.00 41.12 39.28 2jj1 n ASP 170 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2jj1 n ARG 171 N -4.53 1.25 -3.52 -1.24 1.85 -1.26 -3.66 116.66 105.55 2jj1 n ARG 171 Ca 0.04 0.47 -0.20 0.00 -1.00 0.00 0.00 57.85 57.15 2jj1 n ARG 171 Cb 0.55 -2.28 0.08 0.00 -1.05 0.00 0.00 32.46 29.76 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 -0.80 -7.20 0.00 2.89 1.13 -1.26 -4.91 117.38 107.23 2jj1 n GLN 172 Ca 0.12 0.83 0.02 0.00 -1.94 0.00 0.00 57.00 56.03 2jj1 n GLN 172 Cb 0.45 -5.86 0.00 0.00 0.11 0.00 0.00 30.24 24.94 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 -4.54 0.00 0.00 5.09 -2.24 -1.24 -5.01 114.28 106.35 2jj1 n THR 173 Ca -0.15 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2jj1 n THR 173 Cb 0.62 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.47 1.55 0.14 3.38 0.00 -1.26 -4.48 105.19 104.99 2jj1 n GLY 174 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.23 -0.73 1.61 1.57 -1.95 -3.10 116.57 113.75 2jj1 h LYS 175 Ca 0.00 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 2jj1 h LYS 175 Cb 0.00 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 2jj1 h LYS 175 CO 0.00 0.18 0.27 1.15 -0.57 0.00 0.00 179.45 180.48 2jj1 h THR 176 N -0.87 0.66 -1.00 -0.16 2.02 -1.98 -2.22 112.91 109.35 2jj1 h THR 176 Ca -0.02 -0.14 0.21 0.00 0.77 0.00 0.00 66.41 67.23 2jj1 h THR 176 Cb 0.52 0.21 -0.11 0.00 -1.74 0.00 0.00 68.15 67.02 2jj1 h THR 176 CO 0.04 0.08 0.61 0.28 0.37 0.00 0.00 175.52 176.89 2jj1 h SER 177 N 0.41 0.75 0.01 4.18 0.02 -1.98 0.18 113.55 117.12 2jj1 h SER 177 Ca 0.40 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.49 2jj1 h SER 177 Cb 0.60 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 2jj1 h SER 177 CO -0.40 0.21 -0.19 0.40 -1.14 0.00 0.00 176.83 175.71 2jj1 h ILE 178 N 0.70 0.55 -0.80 3.27 1.08 -1.32 -2.04 117.51 118.95 2jj1 h ILE 178 Ca 0.61 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 65.05 2jj1 h ILE 178 Cb 1.03 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 2jj1 h ILE 178 CO -0.42 0.00 0.41 0.00 -0.69 0.00 0.00 178.15 177.45 2jj1 h ALA 179 N 0.59 1.02 -0.16 1.87 0.00 -0.76 -2.63 119.26 119.19 2jj1 h ALA 179 Ca 0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2jj1 h ALA 179 Cb 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jj1 h ALA 179 CO -0.17 0.56 -0.31 0.82 0.00 0.00 0.00 179.25 180.15 2jj1 h ILE 180 N 1.11 1.35 -0.26 0.00 1.08 -0.68 -2.05 117.51 118.07 2jj1 h ILE 180 Ca 0.28 -1.56 -0.05 0.00 -0.39 0.00 0.00 64.86 63.14 2jj1 h ILE 180 Cb 0.07 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 2jj1 h ILE 180 CO -0.04 0.47 -0.06 0.44 -0.69 0.00 0.00 178.15 178.27 2jj1 h ASP 181 N 0.13 0.39 0.16 1.72 5.19 -1.41 -1.61 116.42 120.99 2jj1 h ASP 181 Ca 0.01 -0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2jj1 h ASP 181 Cb 0.91 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 2jj1 h ASP 181 CO 0.07 0.50 -0.18 0.74 -3.12 0.00 0.00 179.24 177.25 2jj1 h THR 182 N 0.40 0.59 -0.27 0.35 2.02 -1.30 0.21 112.91 114.91 2jj1 h THR 182 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.31 2jj1 h THR 182 Cb 0.37 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 2jj1 h THR 182 CO 0.02 0.00 -0.03 0.40 0.37 0.00 0.00 175.52 176.27 2jj1 h ILE 183 N -0.39 0.77 0.00 3.11 2.04 -1.05 -1.72 117.51 120.27 2jj1 h ILE 183 Ca 0.01 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2jj1 h ILE 183 Cb 0.38 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2jj1 h ILE 183 CO -0.06 0.01 -0.14 0.40 0.00 0.00 0.00 178.15 178.36 2jj1 h ILE 184 N 0.04 1.08 -0.03 -0.67 2.04 -1.11 -2.56 117.51 116.31 2jj1 h ILE 184 Ca 0.13 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 2jj1 h ILE 184 Cb 0.18 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2jj1 h ILE 184 CO -0.25 0.13 -0.16 -1.13 0.00 0.00 0.00 178.15 176.75 2jj1 h ASN 185 N 0.00 0.04 0.84 1.72 -1.24 0.38 -3.13 115.58 114.19 2jj1 h ASN 185 Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2jj1 h ASN 185 Cb 0.25 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2jj1 h ASN 185 CO 0.02 0.21 0.00 1.56 -1.29 0.00 0.00 177.43 177.93 2jj1 h GLN 186 N 0.04 0.00 -0.89 6.67 1.08 -1.41 -3.19 115.11 117.42 2jj1 h GLN 186 Ca 0.01 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.42 2jj1 h GLN 186 Cb 0.32 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.63 2jj1 h GLN 186 CO 0.02 0.00 0.38 -0.22 -0.95 0.00 0.00 178.83 178.06 2jj1 h LYS 187 N 0.00 0.39 -0.91 1.46 3.64 -1.73 0.11 116.57 119.53 2jj1 h LYS 187 Ca 0.00 -0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 2jj1 h LYS 187 Cb 0.42 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 2jj1 h LYS 187 CO 0.00 0.26 0.60 0.07 -2.27 0.00 0.00 179.45 178.11 2jj1 h ARG 188 N 0.40 0.43 0.10 1.90 0.11 -1.83 -2.01 114.38 113.49 2jj1 h ARG 188 Ca 0.55 -0.03 -0.35 0.00 0.10 0.00 0.00 59.98 60.26 2jj1 h ARG 188 Cb 1.03 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.99 2jj1 h ARG 188 CO -0.52 0.29 -1.90 1.19 0.10 0.00 0.00 179.97 179.13 2jj1 n PHE 189 N -4.53 1.19 1.01 4.08 3.01 0.20 -3.91 117.46 118.51 2jj1 n PHE 189 Ca 0.20 0.29 0.09 0.00 1.01 0.00 0.00 57.45 59.03 2jj1 n PHE 189 Cb 0.68 -1.15 0.49 0.00 -0.01 0.00 0.00 39.48 39.49 2jj1 n PHE 189 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2jj1 n ASN 190 N -3.64 0.00 -0.41 4.37 3.02 -0.21 -1.63 115.26 116.76 2jj1 n ASN 190 Ca -0.33 -0.38 0.05 0.00 -0.03 0.00 0.00 54.58 53.89 2jj1 n ASN 190 Cb 0.99 -0.08 0.05 0.00 -0.61 0.00 0.00 39.78 40.13 2jj1 n ASN 190 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jj1 n ASP 191 N -1.08 1.92 -2.60 6.41 8.00 -0.79 -5.00 116.55 123.42 2jj1 n ASP 191 Ca 0.12 -1.47 -0.08 0.00 0.71 0.00 0.00 54.79 54.07 2jj1 n ASP 191 Cb 0.08 -0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.54 -0.60 0.09 0.44 0.00 -0.64 -5.04 105.19 99.97 2jj1 n GLY 192 Ca 0.06 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.29 0.00 -1.97 2.61 -2.24 -1.26 -4.92 114.28 104.21 2jj1 n THR 193 Ca 0.05 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 2jj1 n THR 193 Cb 0.17 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.98 5.14 0.34 3.42 -1.08 -1.26 -4.87 116.67 117.38 2jj1 s ASP 194 Ca 0.03 0.41 0.14 0.00 -0.52 0.00 0.00 52.55 52.61 2jj1 s ASP 194 Cb 0.04 -2.53 0.62 0.00 -1.46 0.00 0.00 42.92 39.59 2jj1 s ASP 194 CO 0.13 -2.47 1.74 -0.33 0.52 0.00 0.00 175.17 174.76 2jj1 h GLU 195 N 15.51 0.00 0.00 4.34 4.39 -1.94 -2.98 114.58 133.90 2jj1 h GLU 195 Ca -0.25 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.36 2jj1 h GLU 195 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2jj1 h GLU 195 CO 1.21 0.45 -0.45 0.87 -1.16 0.00 0.00 179.01 179.93 2jj1 h LYS 196 N 0.00 0.00 -0.00 2.33 1.57 -1.92 -3.12 116.57 115.42 2jj1 h LYS 196 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jj1 h LYS 196 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2jj1 h LYS 196 CO 0.06 0.45 0.00 1.63 -0.57 0.00 0.00 179.45 181.02 2jj1 n LYS 197 N -3.39 1.01 -2.71 3.15 4.76 -1.12 -4.91 118.16 114.95 2jj1 n LYS 197 Ca 0.01 -0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.18 2jj1 n LYS 197 Cb 0.62 -1.36 0.02 0.00 -1.84 0.00 0.00 35.03 32.47 2jj1 n LYS 197 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2jj1 s LYS 198 N -2.00 2.95 -0.23 1.97 1.02 -1.18 -4.81 119.74 117.46 2jj1 s LYS 198 Ca 0.35 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 55.98 2jj1 s LYS 198 Cb 0.16 -2.43 0.12 0.00 -0.52 0.00 0.00 37.83 35.16 2jj1 s LYS 198 CO 0.27 -0.49 0.38 -1.17 -0.92 0.00 0.00 175.35 173.41 2jj1 s LEU 199 N -4.76 -0.61 0.16 3.17 2.96 -1.26 -4.50 118.68 113.84 2jj1 s LEU 199 Ca 0.51 0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 54.62 2jj1 s LEU 199 Cb -0.10 1.14 -0.08 0.00 0.50 0.00 0.00 46.19 47.65 2jj1 s LEU 199 CO 0.41 -0.28 0.72 -0.31 -1.32 0.00 0.00 176.35 175.57 2jj1 s TYR 200 N 2.55 3.84 -0.01 5.38 1.51 -0.68 -4.89 117.35 125.05 2jj1 s TYR 200 Ca 0.09 1.51 0.04 0.00 -1.01 0.00 0.00 57.07 57.70 2jj1 s TYR 200 Cb -0.14 -2.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.00 2jj1 s TYR 200 CO -0.15 0.50 -0.13 0.00 -1.11 0.00 0.00 175.55 174.66 2jj1 s ILE 202 N -0.86 0.76 -0.34 0.00 1.01 -0.48 0.62 121.20 121.92 2jj1 s ILE 202 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 2jj1 s ILE 202 Cb -0.11 -0.82 0.04 0.00 0.01 0.00 0.00 42.46 41.58 2jj1 s ILE 202 CO 0.04 0.32 0.11 -0.47 0.00 0.00 0.00 174.94 174.93 2jj1 s TYR 203 N 1.69 3.25 -0.35 3.97 5.04 0.27 -0.64 117.35 130.58 2jj1 s TYR 203 Ca 0.03 -1.38 -0.15 0.00 -2.44 0.00 0.00 57.07 53.12 2jj1 s TYR 203 Cb -0.13 -2.28 -0.01 0.00 0.35 0.00 0.00 41.96 39.89 2jj1 s TYR 203 CO -0.06 -0.72 0.35 0.08 -1.34 0.00 0.00 175.55 173.86 2jj1 s VAL 204 N 1.41 5.18 -0.42 3.14 1.01 0.96 -1.49 120.40 130.20 2jj1 s VAL 204 Ca -0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 2jj1 s VAL 204 Cb -0.19 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2jj1 s VAL 204 CO 0.03 -0.12 0.45 0.00 0.00 0.00 0.00 175.10 175.46 2jj1 s ALA 205 N 1.97 3.42 -0.20 5.51 0.00 0.86 0.11 121.76 133.43 2jj1 s ALA 205 Ca 0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 2jj1 s ALA 205 Cb -0.17 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2jj1 s ALA 205 CO 0.12 -1.57 -0.12 0.42 0.00 0.00 0.00 175.76 174.61 2jj1 s ILE 206 N 2.20 2.76 0.00 0.00 1.09 0.11 -1.05 121.20 126.31 2jj1 s ILE 206 Ca 0.13 -0.70 0.00 0.00 -1.10 0.00 0.00 60.65 58.98 2jj1 s ILE 206 Cb -0.17 -2.21 0.00 0.00 -1.06 0.00 0.00 42.46 39.02 2jj1 s ILE 206 CO 0.14 0.48 0.00 0.61 -0.10 0.00 0.00 174.94 176.07 2jj1 n GLY 207 N 4.66 2.86 3.68 6.18 0.00 -0.81 -2.54 105.19 119.22 2jj1 n GLY 207 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.54 1.09 0.29 1.61 -0.21 -1.26 -3.49 119.66 117.14 2jj1 s GLN 208 Ca 0.00 1.11 -0.29 0.00 0.02 0.00 0.00 55.36 56.20 2jj1 s GLN 208 Cb 0.00 -1.77 -0.10 0.00 1.00 0.00 0.00 33.01 32.15 2jj1 s GLN 208 CO 0.00 -2.44 1.25 0.15 -2.12 0.00 0.00 175.29 172.13 2jj1 s LYS 209 N -4.78 4.44 0.14 2.91 1.02 -1.26 -1.51 119.74 120.70 2jj1 s LYS 209 Ca 0.65 2.07 -0.15 0.00 0.02 0.00 0.00 55.97 58.55 2jj1 s LYS 209 Cb -0.20 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 2jj1 s LYS 209 CO 0.58 -0.09 1.68 -0.09 -0.92 0.00 0.00 175.35 176.50 2jj1 h ARG 210 N 3.98 0.64 -0.53 1.68 2.43 -1.97 -0.86 114.38 119.76 2jj1 h ARG 210 Ca -0.47 -0.12 0.13 0.00 -0.81 0.00 0.00 59.98 58.70 2jj1 h ARG 210 Cb 1.22 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2jj1 h ARG 210 CO 0.69 0.61 0.37 0.66 -1.51 0.00 0.00 179.97 180.78 2jj1 h SER 211 N 0.54 0.14 -0.24 -3.80 4.64 -1.98 0.25 113.55 113.10 2jj1 h SER 211 Ca 0.14 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2jj1 h SER 211 Cb 0.21 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2jj1 h SER 211 CO -0.01 0.08 0.05 0.74 -0.87 0.00 0.00 176.83 176.82 2jj1 h THR 212 N 0.16 1.21 -0.24 2.95 2.02 -1.55 -0.67 112.91 116.80 2jj1 h THR 212 Ca 0.25 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 2jj1 h THR 212 Cb 0.78 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2jj1 h THR 212 CO -0.04 0.22 0.01 0.58 0.37 0.00 0.00 175.52 176.66 2jj1 h VAL 213 N 0.20 1.25 -0.50 3.16 2.07 -0.78 -0.13 116.25 121.52 2jj1 h VAL 213 Ca 0.07 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 66.82 2jj1 h VAL 213 Cb 0.29 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 2jj1 h VAL 213 CO 0.00 0.27 -0.10 0.00 0.02 0.00 0.00 177.57 177.76 2jj1 h ALA 214 N 0.81 0.36 -0.63 1.67 0.00 -0.47 -0.25 119.26 120.74 2jj1 h ALA 214 Ca 0.07 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2jj1 h ALA 214 Cb 0.39 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2jj1 h ALA 214 CO 0.01 -0.43 0.23 1.96 0.00 0.00 0.00 179.25 181.02 2jj1 h GLN 215 N 0.02 0.94 -0.29 0.00 4.20 -0.97 -2.58 115.11 116.42 2jj1 h GLN 215 Ca 0.25 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2jj1 h GLN 215 Cb 0.38 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2jj1 h GLN 215 CO -0.50 0.78 0.12 1.25 -0.67 0.00 0.00 178.83 179.81 2jj1 h LEU 216 N 0.92 0.40 -0.60 1.46 7.12 0.14 0.24 115.31 124.98 2jj1 h LEU 216 Ca 0.21 -0.16 0.01 0.00 0.13 0.00 0.00 57.88 58.08 2jj1 h LEU 216 Cb 0.21 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.21 2jj1 h LEU 216 CO -0.01 0.45 0.39 0.58 -0.13 0.00 0.00 178.44 179.71 2jj1 h VAL 217 N 0.33 1.13 -0.28 1.05 2.07 -1.02 0.32 116.25 119.85 2jj1 h VAL 217 Ca 0.10 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.39 2jj1 h VAL 217 Cb 0.17 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 2jj1 h VAL 217 CO -0.01 0.14 0.06 0.50 0.02 0.00 0.00 177.57 178.29 2jj1 h LYS 218 N 0.79 0.17 -0.38 1.57 3.11 -1.12 0.43 116.57 121.14 2jj1 h LYS 218 Ca 0.23 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 58.13 2jj1 h LYS 218 Cb -0.06 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.07 2jj1 h LYS 218 CO -0.06 0.11 -0.03 -0.09 -2.81 0.00 0.00 179.45 176.57 2jj1 h ARG 219 N 0.17 0.07 -0.46 1.90 9.65 0.18 0.32 114.38 126.22 2jj1 h ARG 219 Ca 0.13 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.93 2jj1 h ARG 219 Cb 0.13 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 2jj1 h ARG 219 CO -0.17 0.04 -0.01 -0.07 2.80 0.00 0.00 179.97 182.57 2jj1 h LEU 220 N 0.07 0.80 -0.00 3.80 3.38 0.09 -1.97 115.31 121.48 2jj1 h LEU 220 Ca 0.18 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2jj1 h LEU 220 Cb 0.27 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2jj1 h LEU 220 CO -0.34 0.92 -0.32 0.74 0.09 0.00 0.00 178.44 179.53 2jj1 h THR 221 N 0.66 0.31 -0.20 0.22 2.02 0.12 0.91 112.91 116.96 2jj1 h THR 221 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 2jj1 h THR 221 Cb 0.51 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2jj1 h THR 221 CO 0.02 0.00 0.19 0.44 0.37 0.00 0.00 175.52 176.54 2jj1 h ASP 222 N -0.47 0.00 0.73 4.18 3.32 -0.73 0.43 116.42 123.88 2jj1 h ASP 222 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2jj1 h ASP 222 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2jj1 h ASP 222 CO -0.26 0.00 -0.29 0.00 -1.72 0.00 0.00 179.24 176.97 2jj1 n ALA 223 N -2.41 3.01 -2.36 3.45 0.00 -0.76 -4.93 120.51 116.51 2jj1 n ALA 223 Ca 0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 2jj1 n ALA 223 Cb 0.32 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.52 -4.69 -0.03 0.00 2.03 0.15 -4.91 116.55 107.58 2jj1 n ASP 224 Ca 0.06 -0.04 0.03 0.00 0.52 0.00 0.00 54.79 55.36 2jj1 n ASP 224 Cb 0.34 -3.79 -0.15 0.00 -0.72 0.00 0.00 41.12 36.80 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 -1.92 2.25 0.07 -1.67 0.00 0.19 -4.42 120.51 115.01 2jj1 n ALA 225 Ca -0.17 -0.79 0.13 0.00 0.00 0.00 0.00 53.44 52.62 2jj1 n ALA 225 Cb 0.63 -0.60 0.62 0.00 0.00 0.00 0.00 19.45 20.10 2jj1 n ALA 225 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2jj1 h MET 226 N 0.00 0.12 0.00 0.00 1.85 -1.83 -0.82 114.93 114.25 2jj1 h MET 226 Ca -0.21 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.88 2jj1 h MET 226 Cb 1.49 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.49 2jj1 h MET 226 CO 0.02 0.08 0.01 1.57 -0.40 0.00 0.00 176.91 178.18 2jj1 h LYS 227 N 0.12 0.00 0.00 0.39 2.10 -1.90 -1.57 116.57 115.71 2jj1 h LYS 227 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2jj1 h LYS 227 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2jj1 h LYS 227 CO -0.02 0.00 -0.12 2.48 -2.00 0.00 0.00 179.45 179.79 2jj1 n TYR 228 N -2.41 0.00 -4.86 0.07 0.18 -0.32 -4.20 117.16 105.62 2jj1 n TYR 228 Ca -0.02 -0.70 -0.26 0.00 1.88 0.00 0.00 57.90 58.80 2jj1 n TYR 228 Cb 0.05 -0.12 -0.16 0.00 -0.38 0.00 0.00 39.34 38.73 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 -1.98 1.45 -0.16 -3.48 2.01 -0.76 -0.53 115.64 112.19 2jj1 s THR 229 Ca 0.21 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 2jj1 s THR 229 Cb 0.19 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2jj1 s THR 229 CO 0.02 0.42 0.05 -0.63 -0.69 0.00 0.00 174.62 173.79 2jj1 s ILE 230 N -0.06 4.74 -0.22 1.82 1.01 0.20 -0.91 121.20 127.78 2jj1 s ILE 230 Ca -0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 2jj1 s ILE 230 Cb -0.11 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2jj1 s ILE 230 CO 0.02 0.50 0.03 -0.69 0.00 0.00 0.00 174.94 174.79 2jj1 s VAL 231 N 0.02 4.10 -0.24 2.92 1.01 -0.79 -0.57 120.40 126.85 2jj1 s VAL 231 Ca 0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 2jj1 s VAL 231 Cb -0.12 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2jj1 s VAL 231 CO 0.01 0.40 0.07 -0.69 0.00 0.00 0.00 175.10 174.89 2jj1 s VAL 232 N 1.19 4.41 -0.15 2.92 1.01 -0.56 -1.08 120.40 128.14 2jj1 s VAL 232 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2jj1 s VAL 232 Cb -0.14 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2jj1 s VAL 232 CO 0.02 0.36 -0.21 -0.55 0.00 0.00 0.00 175.10 174.72 2jj1 s SER 233 N 1.38 3.13 -0.38 3.32 0.15 0.37 -0.10 113.70 121.57 2jj1 s SER 233 Ca 0.05 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 56.10 2jj1 s SER 233 Cb -0.15 -1.46 0.15 0.00 -1.71 0.00 0.00 66.02 62.85 2jj1 s SER 233 CO 0.04 0.05 0.24 0.00 1.20 0.00 0.00 173.24 174.77 2jj1 s ALA 234 N 0.98 1.21 0.93 5.45 0.00 -0.21 -3.12 121.76 126.99 2jj1 s ALA 234 Ca -0.03 -2.09 -0.14 0.00 0.00 0.00 0.00 51.96 49.71 2jj1 s ALA 234 Cb -0.15 -1.64 0.19 0.00 0.00 0.00 0.00 23.12 21.52 2jj1 s ALA 234 CO -0.06 -2.08 1.27 0.95 0.00 0.00 0.00 175.76 175.85 2jj1 s THR 235 N 0.76 2.02 0.49 0.00 -4.23 -1.26 -1.93 115.64 111.49 2jj1 s THR 235 Ca 0.21 -0.10 0.29 0.00 -1.18 0.00 0.00 61.69 60.91 2jj1 s THR 235 Cb -0.18 -2.92 0.47 0.00 1.34 0.00 0.00 72.50 71.22 2jj1 s THR 235 CO -0.03 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.87 2jj1 h ALA 236 N -1.47 2.73 -0.02 3.99 0.00 -1.30 0.24 119.26 123.42 2jj1 h ALA 236 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jj1 h ALA 236 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jj1 h ALA 236 CO 0.38 -1.05 -0.15 -1.13 0.00 0.00 0.00 179.25 177.29 2jj1 n SER 237 N -4.35 1.98 -4.80 0.00 3.41 -1.26 -4.92 113.62 103.68 2jj1 n SER 237 Ca 0.23 -1.54 -0.34 0.00 -0.26 0.00 0.00 58.87 56.95 2jj1 n SER 237 Cb 1.01 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 65.05 2jj1 n SER 237 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jj1 s ASP 238 N -2.20 6.52 0.73 4.04 1.01 0.84 -4.99 116.67 122.62 2jj1 s ASP 238 Ca 0.28 1.92 -0.15 0.00 0.71 0.00 0.00 52.55 55.30 2jj1 s ASP 238 Cb 0.20 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.61 2jj1 s ASP 238 CO 0.41 -0.66 1.23 0.00 0.21 0.00 0.00 175.17 176.36 2jj1 s ALA 239 N -1.94 2.09 0.13 5.23 0.00 -1.26 -4.82 121.76 121.19 2jj1 s ALA 239 Ca 0.65 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 53.36 2jj1 s ALA 239 Cb -0.16 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2jj1 s ALA 239 CO 0.20 -1.96 1.67 0.00 0.00 0.00 0.00 175.76 175.68 2jj1 h ALA 240 N -0.28 -0.04 -0.90 0.00 0.00 -1.91 -2.25 119.26 113.88 2jj1 h ALA 240 Ca -0.48 0.06 0.19 0.00 0.00 0.00 0.00 54.91 54.68 2jj1 h ALA 240 Cb 1.31 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.33 2jj1 h ALA 240 CO 0.49 -0.59 0.59 -1.35 0.00 0.00 0.00 179.25 178.40 2jj1 h PRO 241 N -0.17 0.47 -0.14 0.00 0.11 -1.87 0.22 132.00 130.62 2jj1 h PRO 241 Ca 0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 2jj1 h PRO 241 Cb 0.31 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2jj1 h PRO 241 CO -0.25 0.31 0.08 -0.07 -0.21 0.00 0.00 178.00 177.86 2jj1 h LEU 242 N 0.48 0.17 -1.28 2.35 3.38 -1.69 0.12 115.31 118.84 2jj1 h LEU 242 Ca 0.47 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 2jj1 h LEU 242 Cb 1.07 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2jj1 h LEU 242 CO -0.20 0.19 0.08 1.56 0.09 0.00 0.00 178.44 180.16 2jj1 h GLN 243 N 0.14 0.57 -0.29 1.13 4.20 -0.44 0.50 115.11 120.92 2jj1 h GLN 243 Ca 0.05 -0.10 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 2jj1 h GLN 243 Cb 0.05 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2jj1 h GLN 243 CO -0.01 0.53 -0.56 -0.92 -0.67 0.00 0.00 178.83 177.21 2jj1 h TYR 244 N 0.56 1.11 -0.00 2.96 3.20 -0.70 -3.28 116.97 120.81 2jj1 h TYR 244 Ca 0.13 -0.40 -0.17 0.00 3.14 0.00 0.00 58.73 61.42 2jj1 h TYR 244 Cb 0.23 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2jj1 h TYR 244 CO 0.01 1.23 -0.80 1.25 -1.64 0.00 0.00 178.16 178.21 2jj1 h LEU 245 N 0.67 0.12 -1.16 2.82 5.85 0.18 -3.38 115.31 120.40 2jj1 h LEU 245 Ca 0.01 -0.09 0.22 0.00 0.84 0.00 0.00 57.88 58.86 2jj1 h LEU 245 Cb 1.17 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 2jj1 h LEU 245 CO 0.12 0.87 0.62 0.00 -0.34 0.00 0.00 178.44 179.71 2jj1 h ALA 246 N 1.12 1.90 -0.00 1.25 0.00 -1.00 -1.43 119.26 121.11 2jj1 h ALA 246 Ca -0.02 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2jj1 h ALA 246 Cb 1.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2jj1 h ALA 246 CO 0.11 -0.29 -0.86 -1.00 0.00 0.00 0.00 179.25 177.22 2jj1 h PRO 247 N 0.60 0.21 -0.30 0.00 0.13 -1.78 -0.97 132.00 129.88 2jj1 h PRO 247 Ca 0.58 -0.22 -0.05 0.00 -0.87 0.00 0.00 66.00 65.44 2jj1 h PRO 247 Cb 1.13 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2jj1 h PRO 247 CO -0.35 0.95 0.00 1.88 -0.23 0.00 0.00 178.00 180.25 2jj1 h TYR 248 N 0.12 0.57 -0.47 1.56 -1.99 -1.54 0.33 116.97 115.54 2jj1 h TYR 248 Ca -0.04 -0.10 0.08 0.00 2.00 0.00 0.00 58.73 60.67 2jj1 h TYR 248 Cb 1.48 -0.15 -0.07 0.00 2.00 0.00 0.00 36.73 40.00 2jj1 h TYR 248 CO 0.03 0.66 0.09 0.77 -0.00 0.00 0.00 178.16 179.71 2jj1 h SER 249 N 0.32 -0.00 -0.56 3.88 0.02 -1.33 -1.46 113.55 114.43 2jj1 h SER 249 Ca 0.09 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2jj1 h SER 249 Cb 0.43 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 2jj1 h SER 249 CO 0.01 0.03 0.32 1.23 -1.14 0.00 0.00 176.83 177.29 2jj1 h GLY 250 N 0.23 0.79 1.80 -3.77 0.00 -0.77 -2.81 103.07 98.54 2jj1 h GLY 250 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2jj1 h GLY 250 CO -0.31 0.18 -0.20 0.00 0.00 0.00 0.00 176.54 176.21 2jj1 h SER 252 N 0.23 0.21 -0.82 0.00 0.02 -1.08 -0.90 113.55 111.20 2jj1 h SER 252 Ca 0.04 -0.43 0.17 0.00 -0.84 0.00 0.00 61.79 60.73 2jj1 h SER 252 Cb 0.49 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 2jj1 h SER 252 CO 0.03 0.60 0.55 0.24 -1.14 0.00 0.00 176.83 177.11 2jj1 h MET 253 N -0.17 0.39 -0.20 3.45 2.86 -1.28 0.48 114.93 120.46 2jj1 h MET 253 Ca 0.02 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 2jj1 h MET 253 Cb 0.52 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2jj1 h MET 253 CO 0.02 0.26 -0.32 0.78 1.06 0.00 0.00 176.91 178.70 2jj1 h GLY 254 N 0.41 0.63 1.81 8.32 0.00 -1.21 -3.30 103.07 109.72 2jj1 h GLY 254 Ca 0.41 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2jj1 h GLY 254 CO -0.14 0.64 0.08 0.83 0.00 0.00 0.00 176.54 177.95 2jj1 h GLU 255 N 0.25 0.26 -0.90 4.80 5.08 0.50 -0.11 114.58 124.45 2jj1 h GLU 255 Ca 0.02 -0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.61 2jj1 h GLU 255 Cb 0.91 -0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.96 2jj1 h GLU 255 CO 0.07 0.21 0.27 -0.92 -1.00 0.00 0.00 179.01 177.65 2jj1 h TYR 256 N 0.26 0.41 0.20 4.33 3.20 -1.29 -0.90 116.97 123.18 2jj1 h TYR 256 Ca 0.07 0.05 -0.31 0.00 3.14 0.00 0.00 58.73 61.67 2jj1 h TYR 256 Cb 0.04 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 38.30 2jj1 h TYR 256 CO 0.00 -0.22 -1.40 0.74 -1.64 0.00 0.00 178.16 175.63 2jj1 h PHE 257 N 0.21 0.76 0.07 -3.82 -1.00 -1.20 -3.11 116.94 108.86 2jj1 h PHE 257 Ca 0.58 -0.56 0.02 0.00 2.81 0.00 0.00 57.97 60.83 2jj1 h PHE 257 Cb 1.22 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.71 2jj1 h PHE 257 CO -0.24 1.45 -0.24 -0.09 -1.61 0.00 0.00 178.31 177.58 2jj1 h ARG 258 N 0.11 -0.40 0.00 1.51 2.43 -0.93 0.70 114.38 117.81 2jj1 h ARG 258 Ca -0.21 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2jj1 h ARG 258 Cb 2.09 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.73 2jj1 h ARG 258 CO 0.24 -0.27 0.00 -0.25 -1.51 0.00 0.00 179.97 178.18 2jj1 n ASP 259 N -5.36 0.00 -1.27 -3.80 8.00 -0.43 -3.50 116.55 110.18 2jj1 n ASP 259 Ca -0.06 0.44 -0.02 0.00 0.71 0.00 0.00 54.79 55.86 2jj1 n ASP 259 Cb 0.27 -0.48 0.23 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.48 3.34 -0.41 -2.24 3.02 -1.02 -4.80 115.26 111.67 2jj1 n ASN 260 Ca 0.07 -3.45 -0.05 0.00 -0.03 0.00 0.00 54.58 51.12 2jj1 n ASN 260 Cb 0.29 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 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 -0.82 0.77 3.72 7.41 0.00 -1.22 -4.98 105.19 110.08 2jj1 n GLY 261 Ca 0.33 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.04 2.13 -0.05 1.61 1.02 0.21 -4.47 119.74 118.14 2jj1 s LYS 262 Ca 0.00 -2.15 0.06 0.00 0.02 0.00 0.00 55.97 53.90 2jj1 s LYS 262 Cb 0.00 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 2jj1 s LYS 262 CO 0.00 -0.23 -0.22 -1.01 -0.92 0.00 0.00 175.35 172.97 2jj1 s HIS 263 N -2.75 2.13 0.00 3.18 3.76 -1.26 -1.61 115.29 118.74 2jj1 s HIS 263 Ca 0.26 -0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 2jj1 s HIS 263 Cb 0.05 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 32.33 2jj1 s HIS 263 CO 0.14 -0.17 0.00 0.00 -0.85 0.00 0.00 174.74 173.86 2jj1 s ALA 264 N -0.16 0.01 -0.04 -1.40 0.00 -0.60 -1.68 121.76 117.89 2jj1 s ALA 264 Ca -0.02 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.82 2jj1 s ALA 264 Cb -0.12 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2jj1 s ALA 264 CO 0.02 -0.07 -0.24 -1.17 0.00 0.00 0.00 175.76 174.31 2jj1 s LEU 265 N -0.57 2.16 -0.00 0.00 2.96 0.03 0.36 118.68 123.63 2jj1 s LEU 265 Ca -0.06 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.45 2jj1 s LEU 265 Cb -0.04 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2jj1 s LEU 265 CO -0.00 0.29 -0.15 -0.51 -1.32 0.00 0.00 176.35 174.65 2jj1 s ILE 266 N -0.43 1.22 -0.17 6.68 2.07 0.17 -1.38 121.20 129.37 2jj1 s ILE 266 Ca 0.04 -0.73 0.01 0.00 -1.41 0.00 0.00 60.65 58.57 2jj1 s ILE 266 Cb -0.12 -1.03 0.01 0.00 0.13 0.00 0.00 42.46 41.45 2jj1 s ILE 266 CO 0.01 0.29 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.52 2jj1 s ILE 267 N -0.44 2.27 -0.57 2.00 1.01 0.19 -1.02 121.20 124.65 2jj1 s ILE 267 Ca 0.05 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 2jj1 s ILE 267 Cb -0.06 -1.95 0.14 0.00 0.01 0.00 0.00 42.46 40.60 2jj1 s ILE 267 CO -0.00 0.53 0.51 -0.31 0.00 0.00 0.00 174.94 175.67 2jj1 s TYR 268 N 1.07 3.34 -0.53 3.97 1.51 -1.12 -0.03 117.35 125.56 2jj1 s TYR 268 Ca -0.01 -1.47 0.02 0.00 -1.01 0.00 0.00 57.07 54.60 2jj1 s TYR 268 Cb -0.14 -3.76 0.13 0.00 -0.11 0.00 0.00 41.96 38.09 2jj1 s TYR 268 CO -0.06 -1.01 0.29 0.34 -1.11 0.00 0.00 175.55 173.99 2jj1 s ASP 269 N 3.26 4.60 0.05 2.29 3.68 0.12 -1.17 116.67 129.50 2jj1 s ASP 269 Ca 0.05 -2.89 -0.01 0.00 2.13 0.00 0.00 52.55 51.84 2jj1 s ASP 269 Cb -0.27 -1.70 -0.04 0.00 -1.45 0.00 0.00 42.92 39.47 2jj1 s ASP 269 CO 0.01 -0.28 -0.03 1.51 0.13 0.00 0.00 175.17 176.50 2jj1 s ASP 270 N 0.09 0.52 0.36 -0.34 1.47 -1.05 -0.72 116.67 117.00 2jj1 s ASP 270 Ca 0.16 -0.95 0.18 0.00 1.18 0.00 0.00 52.55 53.13 2jj1 s ASP 270 Cb -0.24 0.18 0.61 0.00 -0.34 0.00 0.00 42.92 43.13 2jj1 s ASP 270 CO -0.02 -0.55 1.70 -0.07 0.68 0.00 0.00 175.17 176.91 2jj1 h LEU 271 N 3.30 0.00 -0.32 2.11 3.38 -0.49 -2.74 115.31 120.55 2jj1 h LEU 271 Ca -0.34 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.70 2jj1 h LEU 271 Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 2jj1 h LEU 271 CO 0.63 0.40 -0.15 0.28 0.09 0.00 0.00 178.44 179.69 2jj1 h SER 272 N 0.00 -0.50 0.08 -0.43 0.02 -1.92 -0.12 113.55 110.68 2jj1 h SER 272 Ca -0.00 0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 2jj1 h SER 272 Cb 0.95 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2jj1 h SER 272 CO 0.05 -0.18 -0.38 0.11 -1.14 0.00 0.00 176.83 175.29 2jj1 h LYS 273 N -0.10 0.41 -0.45 3.45 1.57 -1.79 -2.63 116.57 117.02 2jj1 h LYS 273 Ca 0.16 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2jj1 h LYS 273 Cb 0.34 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2jj1 h LYS 273 CO -0.38 0.73 0.12 0.37 -0.57 0.00 0.00 179.45 179.72 2jj1 h GLN 274 N 0.34 0.71 -0.95 3.15 4.15 -1.19 -2.32 115.11 119.00 2jj1 h GLN 274 Ca 0.03 -0.16 0.04 0.00 0.77 0.00 0.00 58.65 59.33 2jj1 h GLN 274 Cb 0.83 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.36 2jj1 h GLN 274 CO 0.07 0.70 0.62 0.00 -1.93 0.00 0.00 178.83 178.29 2jj1 h ALA 275 N 0.98 1.40 0.09 3.38 0.00 -0.75 -0.83 119.26 123.53 2jj1 h ALA 275 Ca 0.14 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jj1 h ALA 275 Cb 0.30 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2jj1 h ALA 275 CO -0.00 0.50 -0.52 0.28 0.00 0.00 0.00 179.25 179.51 2jj1 h VAL 276 N 1.18 0.00 -0.86 0.00 2.07 -1.15 0.95 116.25 118.44 2jj1 h VAL 276 Ca 0.38 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.11 2jj1 h VAL 276 Cb 0.04 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.68 2jj1 h VAL 276 CO -0.12 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.79 2jj1 h ALA 277 N -0.54 1.30 -0.37 1.67 0.00 -0.96 -0.82 119.26 119.53 2jj1 h ALA 277 Ca -0.00 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jj1 h ALA 277 Cb 0.73 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2jj1 h ALA 277 CO -0.30 -0.36 -0.02 -0.92 0.00 0.00 0.00 179.25 177.65 2jj1 h TYR 278 N 0.34 0.74 -0.39 0.00 3.20 -0.26 -2.55 116.97 118.07 2jj1 h TYR 278 Ca 0.52 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 62.31 2jj1 h TYR 278 Cb 0.98 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 2jj1 h TYR 278 CO -0.19 0.78 0.09 -0.09 -1.64 0.00 0.00 178.16 177.12 2jj1 h ARG 279 N 0.49 0.22 -0.50 1.82 2.43 0.11 -0.06 114.38 118.89 2jj1 h ARG 279 Ca 0.10 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 2jj1 h ARG 279 Cb 0.50 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 2jj1 h ARG 279 CO 0.02 0.14 0.14 0.37 -1.51 0.00 0.00 179.97 179.14 2jj1 h GLN 280 N 0.22 0.29 -0.64 0.20 4.15 -1.03 -0.48 115.11 117.82 2jj1 h GLN 280 Ca 0.18 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 2jj1 h GLN 280 Cb 0.21 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2jj1 h GLN 280 CO -0.23 0.19 0.39 0.52 -1.93 0.00 0.00 178.83 177.78 2jj1 h MET 281 N 0.30 0.86 -0.31 1.69 2.86 -1.02 -2.42 114.93 116.89 2jj1 h MET 281 Ca 0.25 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2jj1 h MET 281 Cb 0.30 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2jj1 h MET 281 CO -0.28 0.61 -0.16 0.77 1.06 0.00 0.00 176.91 178.90 2jj1 h SER 282 N 0.87 0.68 0.58 1.22 0.02 -0.14 -0.31 113.55 116.46 2jj1 h SER 282 Ca 0.23 -0.41 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 2jj1 h SER 282 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jj1 h SER 282 CO -0.04 0.94 -0.48 -0.07 -1.14 0.00 0.00 176.83 176.04 2jj1 h LEU 283 N 0.41 0.00 -0.56 5.07 3.38 -1.16 0.11 115.31 122.55 2jj1 h LEU 283 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 2jj1 h LEU 283 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2jj1 h LEU 283 CO 0.05 0.48 -0.66 -0.07 0.09 0.00 0.00 178.44 178.33 2jj1 h LEU 284 N 0.00 0.30 0.00 1.67 3.38 -1.19 -2.20 115.31 117.27 2jj1 h LEU 284 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2jj1 h LEU 284 Cb 0.90 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2jj1 h LEU 284 CO 0.06 0.88 0.00 0.18 0.09 0.00 0.00 178.44 179.65 2jj1 n LEU 285 N -3.84 0.00 -0.66 1.67 4.77 -0.15 -4.90 117.00 113.89 2jj1 n LEU 285 Ca -0.03 0.38 -0.07 0.00 -0.03 0.00 0.00 56.01 56.26 2jj1 n LEU 285 Cb 0.66 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2jj1 n LEU 285 CO 0.45 -0.09 -0.08 0.54 -1.33 0.00 0.00 177.39 176.89 2jj1 n ARG 286 N -1.38 -0.53 -2.09 3.23 1.74 -0.33 -5.01 116.66 112.29 2jj1 n ARG 286 Ca 0.09 0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 57.35 2jj1 n ARG 286 Cb 0.22 -4.44 -0.02 0.00 -1.02 0.00 0.00 32.46 27.20 2jj1 n ARG 286 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jj1 s ARG 287 N -3.31 4.32 -0.23 5.56 1.81 0.22 -4.88 118.95 122.45 2jj1 s ARG 287 Ca 0.00 2.22 -0.33 0.00 -1.72 0.00 0.00 55.73 55.90 2jj1 s ARG 287 Cb 0.00 -3.13 -0.10 0.00 -0.45 0.00 0.00 34.95 31.28 2jj1 s ARG 287 CO 0.00 -0.33 2.09 -2.30 -0.68 0.00 0.00 175.30 174.08 2jj1 n PRO 288 N 2.15 1.67 -1.86 3.54 -0.02 -1.26 -4.57 135.00 134.65 2jj1 n PRO 288 Ca 0.05 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2jj1 n PRO 288 Cb 0.41 -2.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 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 5.53 4.18 0.00 0.52 0.04 -1.26 -4.39 135.00 139.61 2jj1 s PRO 289 Ca 1.02 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.51 2jj1 s PRO 289 Cb -0.67 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2jj1 s PRO 289 CO 0.47 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2jj1 n GLY 290 N 3.63 2.79 3.68 0.56 0.00 0.15 -4.84 105.19 111.15 2jj1 n GLY 290 Ca 0.14 -1.86 -0.54 0.00 0.00 0.00 0.00 46.02 43.76 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 1.53 -3.02 1.61 0.63 -1.26 -0.19 116.66 115.96 2jj1 n ARG 291 Ca 0.00 0.55 -0.19 0.00 -0.92 0.00 0.00 57.85 57.29 2jj1 n ARG 291 Cb 0.00 -2.34 0.04 0.00 0.45 0.00 0.00 32.46 30.61 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 6.16 -4.75 -0.82 -0.14 1.02 -1.26 -2.73 120.64 118.11 2jj1 n GLU 292 Ca 0.27 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 2jj1 n GLU 292 Cb 0.20 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 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 -3.60 0.00 -1.77 0.62 0.00 0.73 -4.97 120.51 111.53 2jj1 n ALA 293 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.98 2jj1 n ALA 293 Cb 0.59 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.01 3.55 0.67 0.00 1.51 -1.10 -4.32 117.35 116.65 2jj1 s TYR 294 Ca 0.00 1.72 -0.12 0.00 -1.01 0.00 0.00 57.07 57.66 2jj1 s TYR 294 Cb 0.00 -3.17 -0.00 0.00 -0.11 0.00 0.00 41.96 38.68 2jj1 s TYR 294 CO 0.00 -0.38 1.06 -1.25 -1.11 0.00 0.00 175.55 173.87 2jj1 s PRO 295 N -1.76 3.06 0.55 -1.71 0.04 -1.26 0.29 135.00 134.21 2jj1 s PRO 295 Ca 0.48 0.98 0.30 0.00 0.04 0.00 0.00 61.00 62.80 2jj1 s PRO 295 Cb -0.27 -2.00 1.47 0.00 0.04 0.00 0.00 34.50 33.73 2jj1 s PRO 295 CO 0.35 -1.01 1.90 0.78 0.04 0.00 0.00 177.00 179.06 2jj1 h GLY 296 N -0.49 0.00 -3.54 0.56 0.00 -1.97 -2.15 103.07 95.48 2jj1 h GLY 296 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 2jj1 h GLY 296 CO 0.57 0.00 0.09 2.09 0.00 0.00 0.00 176.54 179.30 2jj1 n ASP 297 N -4.16 5.31 0.11 0.19 5.75 -1.26 -4.38 116.55 118.12 2jj1 n ASP 297 Ca 0.15 -3.00 0.04 0.00 -0.01 0.00 0.00 54.79 51.97 2jj1 n ASP 297 Cb 0.85 -0.70 0.44 0.00 -1.03 0.00 0.00 41.12 40.67 2jj1 n ASP 297 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2jj1 h VAL 298 N 3.43 1.13 0.02 2.12 3.04 -1.76 -0.46 116.25 123.77 2jj1 h VAL 298 Ca 0.09 -0.53 -0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2jj1 h VAL 298 Cb 2.07 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 32.37 2jj1 h VAL 298 CO 0.57 0.17 -0.01 0.15 -1.01 0.00 0.00 177.57 177.44 2jj1 h PHE 299 N 0.26 -0.03 -0.57 3.17 3.57 -1.85 -3.19 116.94 118.30 2jj1 h PHE 299 Ca 0.06 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2jj1 h PHE 299 Cb 0.22 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2jj1 h PHE 299 CO 0.00 0.33 0.38 -0.92 -2.23 0.00 0.00 178.31 175.88 2jj1 h TYR 300 N -0.40 0.65 -0.74 0.41 3.20 -1.78 0.45 116.97 118.76 2jj1 h TYR 300 Ca -0.00 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.02 2jj1 h TYR 300 Cb 0.38 -0.22 -0.09 0.00 1.54 0.00 0.00 36.73 38.34 2jj1 h TYR 300 CO 0.05 0.38 0.29 1.25 -1.64 0.00 0.00 178.16 178.49 2jj1 h LEU 301 N 0.68 0.25 0.05 2.82 5.85 -1.07 -2.16 115.31 121.73 2jj1 h LEU 301 Ca 0.23 0.11 -0.34 0.00 0.84 0.00 0.00 57.88 58.72 2jj1 h LEU 301 Cb 0.07 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2jj1 h LEU 301 CO -0.06 0.09 -1.97 1.41 -0.34 0.00 0.00 178.44 177.57 2jj1 n HIS 302 N -5.01 0.91 -0.04 1.25 8.25 -0.51 -4.16 115.22 115.90 2jj1 n HIS 302 Ca 0.14 0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 57.77 2jj1 n HIS 302 Cb 0.41 -1.14 -0.02 0.00 1.12 0.00 0.00 29.99 30.36 2jj1 n HIS 302 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jj1 h SER 303 N 0.03 -0.33 0.25 0.41 4.64 0.14 -1.06 113.55 117.63 2jj1 h SER 303 Ca -0.40 0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 60.90 2jj1 h SER 303 Cb 2.04 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 64.30 2jj1 h SER 303 CO 0.06 -0.13 -0.39 0.08 -0.87 0.00 0.00 176.83 175.58 2jj1 h ARG 304 N -0.07 0.20 -0.26 4.77 0.11 -1.60 -0.44 114.38 117.10 2jj1 h ARG 304 Ca 0.12 -0.09 -0.08 0.00 0.10 0.00 0.00 59.98 60.03 2jj1 h ARG 304 Cb 0.24 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 2jj1 h ARG 304 CO -0.26 0.57 -0.14 1.25 0.10 0.00 0.00 179.97 181.49 2jj1 h LEU 305 N 0.17 0.58 -0.18 0.08 5.85 -1.65 -3.27 115.31 116.89 2jj1 h LEU 305 Ca 0.02 -0.42 -0.17 0.00 0.84 0.00 0.00 57.88 58.15 2jj1 h LEU 305 Cb 0.78 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2jj1 h LEU 305 CO 0.06 0.87 -0.83 -0.07 -0.34 0.00 0.00 178.44 178.13 2jj1 h LEU 306 N 0.29 0.00 -2.00 2.25 3.38 -1.03 -3.07 115.31 115.13 2jj1 h LEU 306 Ca 0.06 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.21 2jj1 h LEU 306 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2jj1 h LEU 306 CO 0.04 0.83 0.46 -0.33 0.09 0.00 0.00 178.44 179.54 2jj1 h GLU 307 N 0.00 0.00 0.00 1.13 4.39 -1.14 -2.06 114.58 116.91 2jj1 h GLU 307 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jj1 h GLU 307 Cb 1.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2jj1 h GLU 307 CO 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.96 2jj1 h ARG 308 N 0.00 0.00 -6.66 2.33 3.08 -1.58 -3.41 114.38 108.14 2jj1 h ARG 308 Ca 0.29 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.82 2jj1 h ARG 308 Cb 1.22 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.28 2jj1 h ARG 308 CO -0.00 0.00 0.52 0.00 -1.07 0.00 0.00 179.97 179.42 2jj1 s ALA 309 N -3.31 3.40 -0.20 0.04 0.00 -0.78 -4.76 121.76 116.16 2jj1 s ALA 309 Ca 0.05 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 2jj1 s ALA 309 Cb 0.10 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.96 2jj1 s ALA 309 CO 0.46 -0.30 1.04 0.00 0.00 0.00 0.00 175.76 176.96 2jj1 s ALA 310 N -0.13 -1.96 -0.22 0.00 0.00 -0.70 -4.90 121.76 113.86 2jj1 s ALA 310 Ca 0.51 1.68 -0.09 0.00 0.00 0.00 0.00 51.96 54.06 2jj1 s ALA 310 Cb -0.31 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2jj1 s ALA 310 CO 0.36 -0.28 0.11 0.21 0.00 0.00 0.00 175.76 176.16 2jj1 s LYS 311 N -0.70 3.98 0.01 0.00 2.47 -1.26 -0.67 119.74 123.58 2jj1 s LYS 311 Ca 0.00 -0.33 -0.11 0.00 -1.56 0.00 0.00 55.97 53.97 2jj1 s LYS 311 Cb -0.02 -3.37 -0.05 0.00 -1.46 0.00 0.00 37.83 32.92 2jj1 s LYS 311 CO -0.01 0.12 0.36 -1.64 0.16 0.00 0.00 175.35 174.34 2jj1 s MET 312 N 0.83 3.78 1.18 4.03 -1.94 0.23 -2.35 119.30 125.06 2jj1 s MET 312 Ca 0.06 0.23 -0.18 0.00 -1.71 0.00 0.00 55.69 54.08 2jj1 s MET 312 Cb -0.13 -3.13 0.28 0.00 2.01 0.00 0.00 34.83 33.86 2jj1 s MET 312 CO 0.02 0.65 1.09 0.54 -0.01 0.00 0.00 175.02 177.32 2jj1 s ASN 313 N -1.36 1.05 0.55 3.03 2.20 0.14 -3.73 114.94 116.83 2jj1 s ASN 313 Ca 0.26 0.78 0.32 0.00 -0.94 0.00 0.00 52.86 53.29 2jj1 s ASN 313 Cb -0.15 -1.13 1.57 0.00 -2.00 0.00 0.00 41.25 39.54 2jj1 s ASN 313 CO 0.14 -4.06 2.08 0.44 -2.94 0.00 0.00 177.10 172.77 2jj1 h ASP 314 N -2.53 0.00 1.03 3.54 3.45 -1.89 0.10 116.42 120.11 2jj1 h ASP 314 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2jj1 h ASP 314 Cb 1.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 2jj1 h ASP 314 CO 0.39 0.07 0.00 0.00 -1.57 0.00 0.00 179.24 178.13 2jj1 h ALA 315 N 1.93 1.00 -0.08 3.45 0.00 -1.92 -2.89 119.26 120.75 2jj1 h ALA 315 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jj1 h ALA 315 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jj1 h ALA 315 CO 0.01 0.00 -0.01 1.19 0.00 0.00 0.00 179.25 180.43 2jj1 n PHE 316 N -2.36 0.27 0.00 0.00 3.01 -0.95 -4.97 117.46 112.46 2jj1 n PHE 316 Ca 0.03 -0.99 0.00 0.00 1.01 0.00 0.00 57.45 57.50 2jj1 n PHE 316 Cb 0.31 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.18 3.12 0.81 1.37 0.00 -1.09 -4.61 105.19 103.61 2jj1 n GLY 317 Ca 0.18 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.75 3.66 -0.02 0.00 -0.02 -4.58 105.19 104.99 2jj1 n GLY 318 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.67 1.60 0.04 -0.02 0.00 -1.23 -4.61 107.32 101.42 2jj1 s GLY 319 Ca 0.00 -0.84 -0.26 0.00 0.00 0.00 0.00 44.72 43.62 2jj1 s GLY 319 CO 0.00 -0.04 0.61 -1.35 0.00 0.00 0.00 173.10 172.32 2jj1 s SER 320 N -3.92 -0.57 -0.14 1.64 1.04 -0.63 -0.60 113.70 110.52 2jj1 s SER 320 Ca 0.70 0.34 -0.00 0.00 0.48 0.00 0.00 55.95 57.47 2jj1 s SER 320 Cb -0.11 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2jj1 s SER 320 CO 0.56 -0.75 -0.14 -0.22 0.98 0.00 0.00 173.24 173.67 2jj1 s LEU 321 N -1.88 2.65 -0.16 2.42 2.96 0.16 -1.55 118.68 123.26 2jj1 s LEU 321 Ca -0.06 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2jj1 s LEU 321 Cb -0.01 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2jj1 s LEU 321 CO -0.00 0.14 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.26 2jj1 s THR 322 N 0.48 3.96 -0.21 3.68 2.01 0.16 -1.71 115.64 124.02 2jj1 s THR 322 Ca -0.10 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 2jj1 s THR 322 Cb -0.16 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.60 2jj1 s THR 322 CO 0.04 0.48 -0.09 0.00 -0.69 0.00 0.00 174.62 174.36 2jj1 s ALA 323 N 0.47 2.66 -0.90 7.40 0.00 -0.76 0.42 121.76 131.05 2jj1 s ALA 323 Ca -0.03 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 2jj1 s ALA 323 Cb -0.14 -1.53 0.23 0.00 0.00 0.00 0.00 23.12 21.67 2jj1 s ALA 323 CO 0.03 -0.39 0.82 -0.51 0.00 0.00 0.00 175.76 175.70 2jj1 s LEU 324 N 1.39 5.98 0.38 0.00 1.43 -0.19 -1.47 118.68 126.21 2jj1 s LEU 324 Ca 0.05 -3.33 -0.24 0.00 -1.03 0.00 0.00 54.13 49.57 2jj1 s LEU 324 Cb -0.14 -2.05 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2jj1 s LEU 324 CO -0.06 -0.32 1.01 -2.16 0.23 0.00 0.00 176.35 175.05 2jj1 s PRO 325 N -0.80 4.30 -0.12 1.29 0.04 -1.23 -2.81 135.00 135.67 2jj1 s PRO 325 Ca 0.25 1.42 -0.00 0.00 0.04 0.00 0.00 61.00 62.71 2jj1 s PRO 325 Cb -0.11 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 2jj1 s PRO 325 CO -0.09 -0.00 -0.10 0.08 0.04 0.00 0.00 177.00 176.92 2jj1 s VAL 326 N -1.69 3.35 -0.08 -0.36 1.01 -0.31 -0.39 120.40 121.93 2jj1 s VAL 326 Ca 0.56 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2jj1 s VAL 326 Cb -0.20 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2jj1 s VAL 326 CO 0.25 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 175.07 2jj1 s ILE 327 N 0.05 1.65 -0.33 2.22 -1.09 0.11 0.00 121.20 123.81 2jj1 s ILE 327 Ca -0.03 -0.80 -0.14 0.00 -2.23 0.00 0.00 60.65 57.45 2jj1 s ILE 327 Cb -0.14 -1.44 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 2jj1 s ILE 327 CO 0.04 0.47 0.32 -0.70 -1.23 0.00 0.00 174.94 173.83 2jj1 s GLU 328 N 0.36 3.64 0.45 2.79 2.12 -1.26 -1.89 118.70 124.91 2jj1 s GLU 328 Ca -0.14 -0.41 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 2jj1 s GLU 328 Cb -0.16 -3.77 -0.06 0.00 0.26 0.00 0.00 34.13 30.39 2jj1 s GLU 328 CO 0.06 -0.44 0.83 0.95 -0.54 0.00 0.00 175.26 176.12 2jj1 s THR 329 N 1.93 4.73 -0.36 -1.70 -4.23 -0.41 -4.93 115.64 110.68 2jj1 s THR 329 Ca 0.10 0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 61.19 2jj1 s THR 329 Cb -0.17 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 2jj1 s THR 329 CO 0.11 -0.61 0.39 -1.10 -0.54 0.00 0.00 174.62 172.87 2jj1 s GLN 330 N -4.03 3.49 -1.18 3.99 -1.52 -1.26 -4.01 119.66 115.14 2jj1 s GLN 330 Ca 0.53 -0.45 -0.04 0.00 -1.95 0.00 0.00 55.36 53.45 2jj1 s GLN 330 Cb -0.10 -3.83 -0.02 0.00 -0.22 0.00 0.00 33.01 28.83 2jj1 s GLN 330 CO 0.33 -0.59 0.88 0.00 -0.25 0.00 0.00 175.29 175.67 2jj1 n ALA 331 N 5.45 -2.20 -2.42 6.09 0.00 -1.26 -2.06 120.51 124.10 2jj1 n ALA 331 Ca -0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 2jj1 n ALA 331 Cb 0.49 -3.43 -0.00 0.00 0.00 0.00 0.00 19.45 16.50 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 -1.32 -0.46 3.41 0.00 0.00 -1.26 -4.88 105.19 100.68 2jj1 n GLY 332 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 2jj1 n GLY 332 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jj1 s ASP 333 N -2.00 6.32 0.00 1.61 2.15 -0.88 -4.86 116.67 119.01 2jj1 s ASP 333 Ca 0.00 -1.51 0.26 0.00 0.43 0.00 0.00 52.55 51.73 2jj1 s ASP 333 Cb 0.00 -2.35 0.71 0.00 -0.30 0.00 0.00 42.92 40.97 2jj1 s ASP 333 CO 0.00 -1.17 1.56 1.33 -0.17 0.00 0.00 175.17 176.71 2jj1 n VAL 334 N 5.55 0.00 1.70 1.11 0.24 -1.26 -3.87 118.33 121.81 2jj1 n VAL 334 Ca 0.01 -0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.46 2jj1 n VAL 334 Cb 0.45 0.04 0.70 0.00 -1.47 0.00 0.00 33.84 33.56 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 -1.50 0.89 -4.85 -1.34 7.64 -1.26 -3.71 113.62 109.49 2jj1 n SER 335 Ca 0.06 -1.29 -0.29 0.00 1.01 0.00 0.00 58.87 58.35 2jj1 n SER 335 Cb 0.34 -0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.63 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 -2.00 2.44 0.12 -0.43 0.00 -1.25 -4.83 121.76 115.80 2jj1 s ALA 336 Ca 0.42 -0.46 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 2jj1 s ALA 336 Cb 0.21 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 2jj1 s ALA 336 CO 0.35 -1.69 1.64 -0.92 0.00 0.00 0.00 175.76 175.14 2jj1 h TYR 337 N -1.06 -0.63 -0.02 0.00 -0.00 -1.95 -2.18 116.97 111.13 2jj1 h TYR 337 Ca -0.47 0.02 -0.11 0.00 -0.00 0.00 0.00 58.73 58.17 2jj1 h TYR 337 Cb 1.30 0.28 0.01 0.00 -0.00 0.00 0.00 36.73 38.31 2jj1 h TYR 337 CO 0.38 -0.33 -0.40 0.82 -0.00 0.00 0.00 178.16 178.64 2jj1 h ILE 338 N -0.38 1.47 -0.43 1.81 1.08 -1.95 -1.78 117.51 117.33 2jj1 h ILE 338 Ca 0.06 -1.94 0.09 0.00 -0.39 0.00 0.00 64.86 62.67 2jj1 h ILE 338 Cb 0.45 2.59 -0.08 0.00 -3.07 0.00 0.00 36.82 36.71 2jj1 h ILE 338 CO -0.20 0.55 -0.11 -0.65 -0.69 0.00 0.00 178.15 177.05 2jj1 h PRO 339 N -0.26 -0.01 -0.53 2.37 0.11 -1.85 -2.11 132.00 129.72 2jj1 h PRO 339 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2jj1 h PRO 339 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2jj1 h PRO 339 CO 0.08 -0.01 0.16 1.79 -0.21 0.00 0.00 178.00 179.81 2jj1 h THR 340 N -0.01 1.23 -0.48 -1.15 1.35 -1.40 -1.03 112.91 111.43 2jj1 h THR 340 Ca 0.21 -0.80 0.07 0.00 -0.55 0.00 0.00 66.41 65.34 2jj1 h THR 340 Cb 0.32 0.75 -0.09 0.00 -1.73 0.00 0.00 68.15 67.39 2jj1 h THR 340 CO -0.44 0.29 -0.46 0.78 -0.25 0.00 0.00 175.52 175.44 2jj1 h ASN 341 N 0.74 -1.55 -0.18 5.36 2.35 -1.09 -0.21 115.58 120.99 2jj1 h ASN 341 Ca 0.17 0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 56.05 2jj1 h ASN 341 Cb 0.29 0.68 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2jj1 h ASN 341 CO -0.00 -0.36 -0.22 0.58 -1.65 0.00 0.00 177.43 175.77 2jj1 h VAL 342 N -0.30 1.27 0.00 2.81 2.07 -1.16 -1.14 116.25 119.80 2jj1 h VAL 342 Ca 0.14 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 2jj1 h VAL 342 Cb 0.58 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2jj1 h VAL 342 CO -0.63 0.42 -0.07 0.40 0.02 0.00 0.00 177.57 177.71 2jj1 h ILE 343 N 0.55 0.99 -0.24 4.57 2.04 -0.90 -0.81 117.51 123.72 2jj1 h ILE 343 Ca 0.08 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2jj1 h ILE 343 Cb 0.68 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2jj1 h ILE 343 CO 0.05 0.07 0.00 -1.54 0.00 0.00 0.00 178.15 176.73 2jj1 n SER 344 N -4.36 2.04 0.00 1.72 3.41 -0.11 -3.96 113.62 112.36 2jj1 n SER 344 Ca -0.03 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 2jj1 n SER 344 Cb 0.15 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.27 0.00 -1.79 -1.33 5.41 -0.74 -5.05 119.36 116.12 2jj1 n ILE 345 Ca 0.10 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.55 2jj1 n ILE 345 Cb 0.40 -1.15 0.16 0.00 -0.71 0.00 0.00 39.64 38.34 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 -1.99 1.96 -0.74 1.39 -4.23 -0.38 -4.97 115.64 106.68 2jj1 s THR 346 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 2jj1 s THR 346 Cb 0.00 -2.92 0.38 0.00 1.34 0.00 0.00 72.50 71.31 2jj1 s THR 346 CO 0.00 0.00 1.88 0.47 -0.54 0.00 0.00 174.62 176.43 2jj1 n ASP 347 N -3.74 7.12 0.00 3.99 8.00 0.10 -4.94 116.55 127.08 2jj1 n ASP 347 Ca 0.12 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.81 2jj1 n ASP 347 Cb 0.60 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 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 -0.62 1.77 3.10 0.44 0.00 -1.26 0.55 105.19 109.16 2jj1 n GLY 348 Ca 0.54 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 2jj1 n GLY 348 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jj1 s GLN 349 N -1.64 0.29 -0.28 1.61 1.11 0.16 -2.10 119.66 118.79 2jj1 s GLN 349 Ca 0.00 0.19 -0.19 0.00 0.01 0.00 0.00 55.36 55.38 2jj1 s GLN 349 Cb 0.00 0.13 -0.02 0.00 -1.01 0.00 0.00 33.01 32.11 2jj1 s GLN 349 CO 0.00 -0.04 0.54 0.42 0.01 0.00 0.00 175.29 176.22 2jj1 s ILE 350 N -0.11 5.03 -0.24 1.08 1.01 0.14 -1.58 121.20 126.53 2jj1 s ILE 350 Ca -0.02 0.82 -0.10 0.00 0.00 0.00 0.00 60.65 61.34 2jj1 s ILE 350 Cb -0.02 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 2jj1 s ILE 350 CO 0.01 -0.00 0.16 0.12 0.00 0.00 0.00 174.94 175.22 2jj1 s PHE 351 N 2.39 3.29 -0.30 3.97 5.36 -1.26 -1.41 117.98 130.03 2jj1 s PHE 351 Ca 0.22 0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 56.30 2jj1 s PHE 351 Cb -0.15 -2.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.25 2jj1 s PHE 351 CO 0.10 0.02 0.10 -0.51 -1.46 0.00 0.00 175.22 173.48 2jj1 s LEU 352 N 1.14 3.93 -0.06 6.12 1.43 -0.29 -0.65 118.68 130.29 2jj1 s LEU 352 Ca 0.07 -0.66 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 2jj1 s LEU 352 Cb -0.14 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2jj1 s LEU 352 CO 0.05 -0.20 0.59 -1.61 0.23 0.00 0.00 176.35 175.41 2jj1 s GLU 353 N 1.53 4.36 0.20 1.70 2.02 -0.82 -4.18 118.70 123.51 2jj1 s GLU 353 Ca 0.03 0.68 -0.11 0.00 0.02 0.00 0.00 54.97 55.60 2jj1 s GLU 353 Cb -0.17 -3.41 0.20 0.00 0.10 0.00 0.00 34.13 30.85 2jj1 s GLU 353 CO 0.03 0.20 1.79 1.15 0.02 0.00 0.00 175.26 178.46 2jj1 h THR 354 N 4.54 0.95 -0.12 3.63 2.02 -1.94 -1.69 112.91 120.31 2jj1 h THR 354 Ca -0.42 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 66.58 2jj1 h THR 354 Cb 1.19 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2jj1 h THR 354 CO 0.74 0.11 -0.04 -0.08 0.37 0.00 0.00 175.52 176.61 2jj1 h GLU 355 N 0.60 -0.02 -0.51 6.66 4.81 -1.97 0.35 114.58 124.49 2jj1 h GLU 355 Ca 0.27 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2jj1 h GLU 355 Cb 0.18 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2jj1 h GLU 355 CO -0.18 -0.02 0.27 -0.07 -0.73 0.00 0.00 179.01 178.29 2jj1 h LEU 356 N -0.02 0.41 -0.96 1.64 3.38 -1.84 -1.95 115.31 115.97 2jj1 h LEU 356 Ca 0.06 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2jj1 h LEU 356 Cb 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2jj1 h LEU 356 CO -0.13 0.29 0.05 0.15 0.09 0.00 0.00 178.44 178.89 2jj1 h PHE 357 N 0.54 0.85 0.03 1.13 3.57 -0.76 -1.34 116.94 120.96 2jj1 h PHE 357 Ca 0.22 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2jj1 h PHE 357 Cb 0.09 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2jj1 h PHE 357 CO -0.09 0.76 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.82 2jj1 h TYR 358 N 0.77 -0.03 0.00 0.41 3.20 0.07 -2.33 116.97 119.05 2jj1 h TYR 358 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2jj1 h TYR 358 Cb 0.39 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2jj1 h TYR 358 CO 0.02 0.12 0.00 1.63 -1.64 0.00 0.00 178.16 178.29 2jj1 n LYS 359 N -5.04 0.27 -0.92 1.82 5.02 -0.77 -4.80 118.16 113.74 2jj1 n LYS 359 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2jj1 n LYS 359 Cb 0.11 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2jj1 n LYS 359 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jj1 n GLY 360 N -0.41 0.90 3.63 0.72 0.00 -0.88 -5.00 105.19 104.15 2jj1 n GLY 360 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.60 3.66 -0.11 -0.61 1.01 -0.52 -4.97 121.20 116.06 2jj1 s ILE 361 Ca 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.35 2jj1 s ILE 361 Cb 0.00 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.86 2jj1 s ILE 361 CO 0.00 -0.26 0.26 -0.13 0.00 0.00 0.00 174.94 174.80 2jj1 s ARG 362 N 4.66 0.19 0.36 2.79 0.52 -1.26 -3.08 118.95 123.13 2jj1 s ARG 362 Ca 0.72 0.61 -0.28 0.00 -0.52 0.00 0.00 55.73 56.26 2jj1 s ARG 362 Cb -0.26 -0.09 -0.11 0.00 0.52 0.00 0.00 34.95 35.01 2jj1 s ARG 362 CO 0.29 -0.20 1.45 -1.25 0.02 0.00 0.00 175.30 175.61 2jj1 s PRO 363 N 1.63 4.18 -1.11 3.54 0.04 -1.25 0.38 135.00 142.40 2jj1 s PRO 363 Ca -0.06 2.48 -0.09 0.00 0.04 0.00 0.00 61.00 63.37 2jj1 s PRO 363 Cb -0.11 -3.00 -0.15 0.00 0.04 0.00 0.00 34.50 31.28 2jj1 s PRO 363 CO -0.09 -0.45 3.18 0.00 0.04 0.00 0.00 177.00 179.68 2jj1 n ALA 364 N 0.70 7.20 -2.64 8.56 0.00 -1.18 -4.91 120.51 128.23 2jj1 n ALA 364 Ca 0.01 -2.99 -0.42 0.00 0.00 0.00 0.00 53.44 50.04 2jj1 n ALA 364 Cb 0.40 -3.04 -0.03 0.00 0.00 0.00 0.00 19.45 16.77 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 1.79 4.76 -0.41 0.00 1.01 -1.26 -1.94 121.20 125.14 2jj1 s ILE 365 Ca 0.69 1.67 -0.29 0.00 0.00 0.00 0.00 60.65 62.72 2jj1 s ILE 365 Cb 0.22 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.51 2jj1 s ILE 365 CO -0.04 -0.16 1.19 0.21 0.00 0.00 0.00 174.94 176.14 2jj1 s ASN 366 N 1.36 6.66 -0.01 3.58 3.84 0.17 -4.92 114.94 125.63 2jj1 s ASN 366 Ca 0.38 0.75 -0.24 0.00 0.21 0.00 0.00 52.86 53.97 2jj1 s ASN 366 Cb -0.15 -2.55 -0.19 0.00 -0.55 0.00 0.00 41.25 37.82 2jj1 s ASN 366 CO 0.08 -1.17 1.24 0.58 -2.79 0.00 0.00 177.10 175.04 2jj1 h VAL 367 N 6.12 1.41 -0.94 -5.21 2.07 -1.92 -3.01 116.25 114.77 2jj1 h VAL 367 Ca -0.23 -1.38 0.17 0.00 0.82 0.00 0.00 66.70 66.08 2jj1 h VAL 367 Cb 1.07 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.96 2jj1 h VAL 367 CO 1.09 0.38 0.60 1.23 0.02 0.00 0.00 177.57 180.89 2jj1 h GLY 368 N -0.33 1.31 -1.39 2.17 0.00 -1.98 -1.17 103.07 101.69 2jj1 h GLY 368 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2jj1 h GLY 368 CO 0.02 0.03 0.00 1.04 0.00 0.00 0.00 176.54 177.63 2jj1 n LEU 369 N -4.61 2.44 -4.83 3.11 4.77 -1.24 -4.89 117.00 111.75 2jj1 n LEU 369 Ca 0.20 -0.84 -0.36 0.00 -0.03 0.00 0.00 56.01 54.97 2jj1 n LEU 369 Cb 0.56 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2jj1 n LEU 369 CO 0.27 0.42 -0.20 -0.44 -1.33 0.00 0.00 177.39 176.12 2jj1 s SER 370 N -1.95 6.16 0.01 -1.43 0.01 -0.44 -4.65 113.70 111.40 2jj1 s SER 370 Ca 0.32 0.39 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 2jj1 s SER 370 Cb 0.20 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.47 2jj1 s SER 370 CO 0.31 0.38 0.15 0.68 0.41 0.00 0.00 173.24 175.17 2jj1 s VAL 371 N -0.87 0.09 -0.25 3.43 -7.23 -0.61 -4.94 120.40 110.01 2jj1 s VAL 371 Ca 0.14 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 2jj1 s VAL 371 Cb -0.12 -0.48 0.04 0.00 0.56 0.00 0.00 36.38 36.38 2jj1 s VAL 371 CO 0.03 -0.39 -0.10 -0.55 -0.31 0.00 0.00 175.10 173.79 2jj1 s SER 372 N -1.45 4.22 0.50 4.85 0.15 -1.26 0.36 113.70 121.06 2jj1 s SER 372 Ca -0.14 -1.07 0.29 0.00 0.70 0.00 0.00 55.95 55.73 2jj1 s SER 372 Cb -0.07 -1.60 0.94 0.00 -1.71 0.00 0.00 66.02 63.58 2jj1 s SER 372 CO 0.01 -0.14 1.83 0.03 1.20 0.00 0.00 173.24 176.17 2jj1 h ARG 373 N 7.91 0.00 0.00 5.44 3.08 -0.26 -3.35 114.38 127.20 2jj1 h ARG 373 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2jj1 h ARG 373 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2jj1 h ARG 373 CO 0.54 0.03 0.00 1.33 -1.07 0.00 0.00 179.97 180.80 2jj1 n VAL 374 N -3.12 0.02 0.44 2.04 0.24 -1.26 -4.89 118.33 111.79 2jj1 n VAL 374 Ca 0.02 -0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.40 2jj1 n VAL 374 Cb 0.40 1.64 0.25 0.00 -1.47 0.00 0.00 33.84 34.66 2jj1 n VAL 374 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2jj1 h GLY 375 N 0.00 0.00 1.64 7.63 0.00 -1.70 -3.31 103.07 107.33 2jj1 h GLY 375 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 2jj1 h GLY 375 CO 0.00 0.00 0.15 0.23 0.00 0.00 0.00 176.54 176.92 2jj1 h SER 376 N 0.00 0.10 1.35 0.19 0.87 -1.83 -0.97 113.55 113.25 2jj1 h SER 376 Ca 0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2jj1 h SER 376 Cb 0.85 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2jj1 h SER 376 CO 0.00 0.07 -0.09 0.00 -0.53 0.00 0.00 176.83 176.27 2jj1 h ALA 377 N 1.88 0.98 -0.57 6.23 0.00 -1.88 -3.18 119.26 122.73 2jj1 h ALA 377 Ca 0.10 -0.08 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 2jj1 h ALA 377 Cb 0.25 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.82 2jj1 h ALA 377 CO -0.01 0.12 0.01 0.00 0.00 0.00 0.00 179.25 179.36 2jj1 n ALA 378 N -2.13 4.84 -3.03 0.00 0.00 -0.38 -4.77 120.51 115.04 2jj1 n ALA 378 Ca 0.02 -3.26 -0.34 0.00 0.00 0.00 0.00 53.44 49.85 2jj1 n ALA 378 Cb 0.44 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 2jj1 n ALA 378 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2jj1 s GLN 379 N -3.38 3.64 0.35 0.00 0.74 -1.15 -2.93 119.66 116.92 2jj1 s GLN 379 Ca 0.50 -0.52 -0.26 0.00 0.05 0.00 0.00 55.36 55.12 2jj1 s GLN 379 Cb 0.43 -2.98 -0.13 0.00 1.10 0.00 0.00 33.01 31.44 2jj1 s GLN 379 CO 0.01 0.14 0.94 0.25 -0.55 0.00 0.00 175.29 176.09 2jj1 n THR 380 N 3.83 2.11 -0.35 -0.34 -2.24 -1.26 -4.70 114.28 111.34 2jj1 n THR 380 Ca -0.17 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.15 2jj1 n THR 380 Cb 0.52 -0.98 0.21 0.00 -2.10 0.00 0.00 70.33 67.99 2jj1 n THR 380 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jj1 h ARG 381 N 1.68 1.05 -0.76 -0.78 9.65 -1.93 0.90 114.38 124.20 2jj1 h ARG 381 Ca -0.41 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.43 2jj1 h ARG 381 Cb 1.35 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 29.65 2jj1 h ARG 381 CO 0.58 0.70 0.48 0.00 2.80 0.00 0.00 179.97 184.53 2jj1 h ALA 382 N 1.49 0.98 -0.29 2.80 0.00 -1.37 -0.29 119.26 122.58 2jj1 h ALA 382 Ca 0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 2jj1 h ALA 382 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jj1 h ALA 382 CO -0.18 0.30 -0.12 1.98 0.00 0.00 0.00 179.25 181.23 2jj1 h MET 383 N 0.96 0.60 -0.87 0.00 1.85 -1.62 -3.23 114.93 112.61 2jj1 h MET 383 Ca 0.30 -0.25 0.20 0.00 -0.61 0.00 0.00 59.70 59.34 2jj1 h MET 383 Cb -0.02 -0.02 -0.06 0.00 0.43 0.00 0.00 31.60 31.93 2jj1 h MET 383 CO -0.10 0.82 0.58 0.87 -0.40 0.00 0.00 176.91 178.69 2jj1 h LYS 384 N 0.35 0.34 0.00 0.39 1.57 0.16 0.19 116.57 119.57 2jj1 h LYS 384 Ca 0.07 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2jj1 h LYS 384 Cb 0.63 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2jj1 h LYS 384 CO 0.04 0.22 -0.24 1.96 -0.57 0.00 0.00 179.45 180.86 2jj1 h GLN 385 N 0.35 0.00 0.00 3.15 4.20 -1.11 -2.64 115.11 119.06 2jj1 h GLN 385 Ca 0.45 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.98 2jj1 h GLN 385 Cb 1.19 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 2jj1 h GLN 385 CO -0.15 0.24 -2.02 1.33 -0.67 0.00 0.00 178.83 177.57 2jj1 n VAL 386 N -3.20 0.65 0.09 -0.54 0.24 -0.90 -4.68 118.33 109.99 2jj1 n VAL 386 Ca 0.02 -0.59 -0.21 0.00 -2.04 0.00 0.00 64.34 61.53 2jj1 n VAL 386 Cb 0.59 -0.27 -0.15 0.00 -1.47 0.00 0.00 33.84 32.54 2jj1 n VAL 386 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jj1 h ALA 387 N 1.20 0.11 -0.91 2.33 0.00 -0.68 -2.98 119.26 118.33 2jj1 h ALA 387 Ca -0.26 -1.04 0.06 0.00 0.00 0.00 0.00 54.91 53.67 2jj1 h ALA 387 Cb 1.52 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 2jj1 h ALA 387 CO 0.01 0.98 0.58 0.78 0.00 0.00 0.00 179.25 181.60 2jj1 h GLY 388 N 0.95 1.37 2.00 0.00 0.00 -1.69 0.17 103.07 105.87 2jj1 h GLY 388 Ca -0.27 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 2jj1 h GLY 388 CO 0.20 0.32 -0.50 -0.91 0.00 0.00 0.00 176.54 175.65 2jj1 h THR 389 N 1.07 0.92 -0.13 4.70 1.35 -1.84 -2.83 112.91 116.15 2jj1 h THR 389 Ca 0.39 -2.11 -0.18 0.00 -0.55 0.00 0.00 66.41 63.95 2jj1 h THR 389 Cb 0.13 2.32 0.01 0.00 -1.73 0.00 0.00 68.15 68.87 2jj1 h THR 389 CO -0.16 0.49 -0.64 -0.03 -0.25 0.00 0.00 175.52 174.93 2jj1 h MET 390 N 0.00 0.66 -0.65 4.72 -1.53 -1.17 -0.71 114.93 116.25 2jj1 h MET 390 Ca -0.00 -0.54 0.07 0.00 -3.44 0.00 0.00 59.70 55.78 2jj1 h MET 390 Cb 1.28 0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 32.38 2jj1 h MET 390 CO 0.06 1.16 0.34 -0.22 0.14 0.00 0.00 176.91 178.39 2jj1 h LYS 391 N 0.33 0.59 -0.43 0.39 3.64 -0.77 -1.35 116.57 118.97 2jj1 h LYS 391 Ca -0.04 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2jj1 h LYS 391 Cb 1.28 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2jj1 h LYS 391 CO 0.13 0.39 -0.08 1.25 -2.27 0.00 0.00 179.45 178.87 2jj1 h LEU 392 N 0.61 0.82 -0.71 5.20 5.85 -1.42 0.09 115.31 125.75 2jj1 h LEU 392 Ca 0.30 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2jj1 h LEU 392 Cb 0.23 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2jj1 h LEU 392 CO -0.21 0.98 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.32 2jj1 h GLU 393 N 0.64 0.00 0.00 1.25 5.08 -0.98 -2.11 114.58 118.46 2jj1 h GLU 393 Ca 0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2jj1 h GLU 393 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jj1 h GLU 393 CO 0.04 0.21 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.67 2jj1 h LEU 394 N 0.00 0.00 -0.19 1.33 3.38 -1.12 -3.05 115.31 115.66 2jj1 h LEU 394 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2jj1 h LEU 394 Cb 0.90 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.66 2jj1 h LEU 394 CO 0.03 0.37 -0.60 0.00 0.09 0.00 0.00 178.44 178.33 2jj1 h ALA 395 N 1.63 0.33 -0.45 1.53 0.00 -0.56 -2.96 119.26 118.77 2jj1 h ALA 395 Ca -0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2jj1 h ALA 395 Cb 1.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2jj1 h ALA 395 CO 0.05 0.58 -0.04 1.96 0.00 0.00 0.00 179.25 181.80 2jj1 h GLN 396 N 0.47 0.77 -0.20 0.00 4.20 -1.49 -3.28 115.11 115.58 2jj1 h GLN 396 Ca -0.02 -0.22 -0.19 0.00 0.06 0.00 0.00 58.65 58.28 2jj1 h GLN 396 Cb 1.23 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 2jj1 h GLN 396 CO 0.13 0.81 -0.63 -0.92 -0.67 0.00 0.00 178.83 177.55 2jj1 h TYR 397 N 0.71 0.89 -0.60 2.96 3.20 -1.57 -3.03 116.97 119.53 2jj1 h TYR 397 Ca 0.13 -0.34 0.02 0.00 3.14 0.00 0.00 58.73 61.68 2jj1 h TYR 397 Cb 0.49 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2jj1 h TYR 397 CO 0.03 1.13 0.40 -0.09 -1.64 0.00 0.00 178.16 177.99 2jj1 h ARG 398 N 0.51 0.72 0.00 1.82 2.43 -1.58 -2.52 114.38 115.76 2jj1 h ARG 398 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2jj1 h ARG 398 Cb 1.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2jj1 h ARG 398 CO 0.13 0.48 0.00 0.93 -1.51 0.00 0.00 179.97 179.99 2jj1 h GLU 399 N 0.75 0.00 -0.74 0.20 4.39 -1.59 -3.30 114.58 114.29 2jj1 h GLU 399 Ca 0.23 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.57 2jj1 h GLU 399 Cb 0.02 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.26 2jj1 h GLU 399 CO -0.06 0.00 -1.05 1.33 -1.16 0.00 0.00 179.01 178.07 2jj1 n VAL 400 N -2.51 1.53 -0.49 3.13 0.24 -0.95 -5.14 118.33 114.13 2jj1 n VAL 400 Ca 0.01 -3.38 -0.09 0.00 -2.04 0.00 0.00 64.34 58.85 2jj1 n VAL 400 Cb 0.24 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.02 2jj1 n VAL 400 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jj1 n ALA 401 N -0.47 3.56 -1.46 2.33 0.00 -1.20 -4.95 120.51 118.33 2jj1 n ALA 401 Ca 0.17 -1.03 0.02 0.00 0.00 0.00 0.00 53.44 52.60 2jj1 n ALA 401 Cb 0.82 -2.45 0.02 0.00 0.00 0.00 0.00 19.45 17.85 2jj1 n ALA 401 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jj1 n LEU 410 N 3.21 0.54 -4.91 0.00 4.77 -1.26 -5.15 117.00 114.20 2jj1 n LEU 410 Ca 0.24 -1.19 -0.21 0.00 -0.03 0.00 0.00 56.01 54.82 2jj1 n LEU 410 Cb 0.33 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2jj1 n LEU 410 CO 0.32 0.29 -0.09 1.51 -1.33 0.00 0.00 177.39 178.08 2jj1 s ASP 411 N -1.08 5.99 0.07 -1.43 3.84 -1.26 -5.01 116.67 117.79 2jj1 s ASP 411 Ca 0.05 -0.06 -0.13 0.00 -0.00 0.00 0.00 52.55 52.41 2jj1 s ASP 411 Cb 0.05 -1.67 -0.03 0.00 -1.38 0.00 0.00 42.92 39.89 2jj1 s ASP 411 CO 0.00 -0.05 1.00 0.00 -0.00 0.00 0.00 175.17 176.12 2jj1 n ALA 412 N -1.30 -0.27 0.03 2.11 0.00 -1.26 -2.97 120.51 116.85 2jj1 n ALA 412 Ca -0.08 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 2jj1 n ALA 412 Cb 0.57 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 2jj1 n ALA 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jj1 h ALA 413 N -0.13 -0.10 0.00 0.00 0.00 -2.01 -3.20 119.26 113.82 2jj1 h ALA 413 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jj1 h ALA 413 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jj1 h ALA 413 CO -0.40 -0.33 0.00 0.25 0.00 0.00 0.00 179.25 178.77 2jj1 n THR 414 N -4.93 0.87 0.05 0.00 -2.24 -1.18 -1.54 114.28 105.31 2jj1 n THR 414 Ca -0.08 0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.74 2jj1 n THR 414 Cb 0.24 -1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 67.27 2jj1 n THR 414 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2jj1 h GLN 415 N 0.00 0.23 -0.70 -0.78 4.15 -1.61 -3.33 115.11 113.08 2jj1 h GLN 415 Ca 0.00 -0.40 -0.03 0.00 0.77 0.00 0.00 58.65 58.99 2jj1 h GLN 415 Cb 0.33 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2jj1 h GLN 415 CO 0.00 1.08 0.33 0.37 -1.93 0.00 0.00 178.83 178.67 2jj1 h GLN 416 N 0.06 1.00 0.00 1.69 5.75 -1.27 0.30 115.11 122.65 2jj1 h GLN 416 Ca -0.27 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 2jj1 h GLN 416 Cb 2.02 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 30.38 2jj1 h GLN 416 CO 0.15 0.78 0.00 -0.07 -2.65 0.00 0.00 178.83 177.04 2jj1 h LEU 417 N 1.00 0.00 0.01 -2.39 3.38 -1.67 0.20 115.31 115.84 2jj1 h LEU 417 Ca 0.24 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2jj1 h LEU 417 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jj1 h LEU 417 CO -0.03 0.00 -0.36 -0.07 0.09 0.00 0.00 178.44 178.07 2jj1 h LEU 418 N 0.00 0.30 -0.45 1.67 3.38 -1.49 -0.93 115.31 117.79 2jj1 h LEU 418 Ca 0.00 -0.79 0.07 0.00 0.09 0.00 0.00 57.88 57.26 2jj1 h LEU 418 Cb 0.68 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2jj1 h LEU 418 CO 0.00 1.06 0.08 0.28 0.09 0.00 0.00 178.44 179.94 2jj1 h SER 419 N -0.41 -0.02 -0.25 -0.43 0.02 -0.45 -2.07 113.55 109.94 2jj1 h SER 419 Ca -0.05 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2jj1 h SER 419 Cb 1.12 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 2jj1 h SER 419 CO 0.07 0.02 -0.26 -0.09 -1.14 0.00 0.00 176.83 175.43 2jj1 h ARG 420 N 0.21 0.61 0.13 3.45 9.65 -0.74 -3.30 114.38 124.40 2jj1 h ARG 420 Ca 0.22 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2jj1 h ARG 420 Cb 0.29 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2jj1 h ARG 420 CO -0.30 0.93 -0.08 0.78 2.80 0.00 0.00 179.97 184.10 2jj1 h GLY 421 N 0.32 -0.21 0.98 2.80 0.00 -0.84 -0.80 103.07 105.32 2jj1 h GLY 421 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.51 2jj1 h GLY 421 CO 0.06 -0.09 0.55 -0.39 0.00 0.00 0.00 176.54 176.68 2jj1 h VAL 422 N -0.21 1.09 -0.15 4.60 -1.51 -1.53 -1.79 116.25 116.75 2jj1 h VAL 422 Ca -0.01 -0.34 -0.06 0.00 -1.23 0.00 0.00 66.70 65.06 2jj1 h VAL 422 Cb 0.18 0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 29.35 2jj1 h VAL 422 CO 0.01 0.18 -0.14 0.03 -1.23 0.00 0.00 177.57 176.42 2jj1 h ARG 423 N 0.99 0.37 -0.80 5.19 3.08 -1.54 -0.99 114.38 120.69 2jj1 h ARG 423 Ca 0.35 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.24 2jj1 h ARG 423 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2jj1 h ARG 423 CO -0.12 0.74 0.53 -0.07 -1.07 0.00 0.00 179.97 179.98 2jj1 h LEU 424 N 0.01 0.85 -1.20 3.04 3.38 -0.97 -0.85 115.31 119.57 2jj1 h LEU 424 Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2jj1 h LEU 424 Cb 0.67 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2jj1 h LEU 424 CO 0.04 0.58 -0.21 0.74 0.09 0.00 0.00 178.44 179.68 2jj1 h THR 425 N 0.98 1.23 -0.10 0.22 2.02 -1.03 -1.89 112.91 114.33 2jj1 h THR 425 Ca 0.32 -1.05 -0.17 0.00 0.77 0.00 0.00 66.41 66.28 2jj1 h THR 425 Cb 0.04 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2jj1 h THR 425 CO -0.09 0.33 -0.65 -0.33 0.37 0.00 0.00 175.52 175.15 2jj1 h GLU 426 N 0.27 0.40 -0.28 6.66 4.39 -0.18 -3.11 114.58 122.72 2jj1 h GLU 426 Ca 0.05 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2jj1 h GLU 426 Cb 0.53 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2jj1 h GLU 426 CO 0.04 0.91 0.14 -0.07 -1.16 0.00 0.00 179.01 178.87 2jj1 h LEU 427 N 0.29 0.34 0.00 1.33 3.38 -0.42 -2.75 115.31 117.48 2jj1 h LEU 427 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jj1 h LEU 427 Cb 1.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2jj1 h LEU 427 CO 0.11 0.29 -0.25 -0.07 0.09 0.00 0.00 178.44 178.61 2jj1 h LEU 428 N 0.39 0.00 -9.77 1.67 3.38 -1.36 -3.45 115.31 106.17 2jj1 h LEU 428 Ca 0.10 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 57.45 2jj1 h LEU 428 Cb 0.03 0.00 0.17 0.00 0.09 0.00 0.00 40.66 40.95 2jj1 h LEU 428 CO -0.02 0.03 0.02 0.29 0.09 0.00 0.00 178.44 178.85 2jj1 n LYS 429 N -2.46 0.78 -3.64 1.13 5.02 -1.04 -4.39 118.16 113.56 2jj1 n LYS 429 Ca 0.04 0.31 -0.05 0.00 -2.02 0.00 0.00 58.31 56.59 2jj1 n LYS 429 Cb 0.47 -2.08 -0.07 0.00 -0.02 0.00 0.00 35.03 33.33 2jj1 n LYS 429 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2jj1 s GLN 430 N -2.66 0.38 0.19 1.97 0.74 0.16 -4.89 119.66 115.54 2jj1 s GLN 430 Ca 0.75 0.55 -0.03 0.00 0.05 0.00 0.00 55.36 56.68 2jj1 s GLN 430 Cb -0.42 0.13 0.05 0.00 1.10 0.00 0.00 33.01 33.87 2jj1 s GLN 430 CO 0.48 -0.06 0.19 0.41 -0.55 0.00 0.00 175.29 175.75 2jj1 n GLY 431 N 2.91 -2.17 3.97 2.59 0.00 -1.26 -3.96 105.19 107.27 2jj1 n GLY 431 Ca -0.15 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 2jj1 n GLY 431 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jj1 s GLN 432 N -3.42 3.40 0.00 1.61 -0.21 -1.26 -4.57 119.66 115.22 2jj1 s GLN 432 Ca 0.12 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.71 2jj1 s GLN 432 Cb -0.01 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 31.12 2jj1 s GLN 432 CO 0.09 0.39 0.00 0.66 -2.12 0.00 0.00 175.29 174.31 2jj1 n TYR 433 N -1.43 0.00 -3.29 0.91 0.53 -1.26 -4.86 117.16 107.76 2jj1 n TYR 433 Ca -0.08 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.51 2jj1 n TYR 433 Cb 0.57 -0.83 -0.06 0.00 -1.03 0.00 0.00 39.34 37.99 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 -0.00 4.25 -4.79 7.72 7.64 -1.26 -5.08 113.62 122.09 2jj1 n SER 434 Ca 0.00 -3.48 -0.34 0.00 1.01 0.00 0.00 58.87 56.06 2jj1 n SER 434 Cb 0.00 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.45 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 -2.70 3.60 -0.08 1.43 0.04 -1.26 -4.94 135.00 131.09 2jj1 s PRO 435 Ca 0.40 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 2jj1 s PRO 435 Cb 0.16 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2jj1 s PRO 435 CO -0.02 -0.60 -0.04 -1.64 0.04 0.00 0.00 177.00 174.75 2jj1 s MET 436 N -3.45 2.88 0.57 4.56 -1.94 0.12 -4.98 119.30 117.06 2jj1 s MET 436 Ca 0.67 -0.48 -0.20 0.00 -1.71 0.00 0.00 55.69 53.97 2jj1 s MET 436 Cb -0.17 -2.69 -0.05 0.00 2.01 0.00 0.00 34.83 33.93 2jj1 s MET 436 CO 0.25 0.67 1.21 0.00 -0.01 0.00 0.00 175.02 177.14 2jj1 n ALA 437 N 2.22 0.99 -0.25 3.03 0.00 -1.26 -4.21 120.51 121.04 2jj1 n ALA 437 Ca -0.18 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 2jj1 n ALA 437 Cb 0.53 -2.26 0.11 0.00 0.00 0.00 0.00 19.45 17.83 2jj1 n ALA 437 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2jj1 h ILE 438 N 0.99 0.97 -0.63 0.00 6.09 -1.98 -2.29 117.51 120.67 2jj1 h ILE 438 Ca -0.50 -0.25 -0.06 0.00 -1.37 0.00 0.00 64.86 62.68 2jj1 h ILE 438 Cb 1.33 0.18 -0.03 0.00 0.47 0.00 0.00 36.82 38.77 2jj1 h ILE 438 CO 0.54 0.13 0.16 1.05 -3.07 0.00 0.00 178.15 176.97 2jj1 h GLU 439 N 0.73 0.98 -0.46 2.19 9.09 -1.91 -1.33 114.58 123.88 2jj1 h GLU 439 Ca 0.32 -0.21 -0.02 0.00 0.05 0.00 0.00 59.36 59.50 2jj1 h GLU 439 Cb 0.20 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.13 2jj1 h GLU 439 CO -0.19 0.87 0.23 0.93 0.05 0.00 0.00 179.01 180.90 2jj1 h GLU 440 N 0.94 0.65 -0.53 1.06 5.08 -1.83 -2.28 114.58 117.67 2jj1 h GLU 440 Ca 0.20 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2jj1 h GLU 440 Cb 0.32 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2jj1 h GLU 440 CO -0.00 0.55 0.30 1.96 -1.00 0.00 0.00 179.01 180.82 2jj1 h GLN 441 N 0.60 0.57 -0.29 2.33 4.20 -0.81 -2.59 115.11 119.13 2jj1 h GLN 441 Ca 0.16 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 2jj1 h GLN 441 Cb 0.10 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2jj1 h GLN 441 CO -0.02 0.38 -0.25 -0.39 -0.67 0.00 0.00 178.83 177.88 2jj1 h VAL 442 N 0.59 1.27 -0.61 -0.54 -1.51 -1.01 -1.39 116.25 113.06 2jj1 h VAL 442 Ca 0.22 -1.30 -0.01 0.00 -1.23 0.00 0.00 66.70 64.38 2jj1 h VAL 442 Cb 0.06 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 30.52 2jj1 h VAL 442 CO -0.12 0.42 0.33 0.00 -1.23 0.00 0.00 177.57 176.98 2jj1 h ALA 443 N 1.24 0.78 -0.09 5.19 0.00 -1.27 0.46 119.26 125.56 2jj1 h ALA 443 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2jj1 h ALA 443 Cb 0.70 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jj1 h ALA 443 CO 0.05 0.29 -0.00 0.28 0.00 0.00 0.00 179.25 179.87 2jj1 h VAL 444 N 0.82 1.26 -0.92 0.00 2.07 -1.17 -2.52 116.25 115.80 2jj1 h VAL 444 Ca 0.21 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.93 2jj1 h VAL 444 Cb 0.04 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2jj1 h VAL 444 CO -0.03 0.23 0.61 0.40 0.02 0.00 0.00 177.57 178.79 2jj1 h ILE 445 N -0.13 1.21 0.20 4.57 1.08 -1.11 -2.87 117.51 120.46 2jj1 h ILE 445 Ca 0.02 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 64.09 2jj1 h ILE 445 Cb 0.36 -0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 2jj1 h ILE 445 CO 0.01 0.22 -0.39 0.22 -0.69 0.00 0.00 178.15 177.52 2jj1 h TYR 446 N 1.21 -1.08 -0.98 1.37 3.20 0.12 0.24 116.97 121.05 2jj1 h TYR 446 Ca 0.35 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.43 2jj1 h TYR 446 Cb -0.09 0.45 -0.18 0.00 1.54 0.00 0.00 36.73 38.45 2jj1 h TYR 446 CO -0.00 -0.50 -0.27 0.00 -1.64 0.00 0.00 178.16 175.74 2jj1 n ALA 447 N -2.77 0.17 0.34 1.82 0.00 -0.97 -0.81 120.51 118.29 2jj1 n ALA 447 Ca -0.08 1.06 -0.13 0.00 0.00 0.00 0.00 53.44 54.29 2jj1 n ALA 447 Cb 0.37 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 2jj1 n ALA 447 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jj1 h GLY 448 N 0.00 -0.91 2.00 0.00 0.00 -0.96 -2.56 103.07 100.65 2jj1 h GLY 448 Ca 0.45 0.34 0.00 0.00 0.00 0.00 0.00 47.33 48.11 2jj1 h GLY 448 CO -1.01 -0.33 0.00 3.33 0.00 0.00 0.00 176.54 178.53 2jj1 n VAL 449 N -4.64 1.17 -0.83 4.60 0.24 0.69 -1.26 118.33 118.29 2jj1 n VAL 449 Ca -0.11 0.46 0.08 0.00 -2.04 0.00 0.00 64.34 62.73 2jj1 n VAL 449 Cb 0.34 -1.40 0.33 0.00 -1.47 0.00 0.00 33.84 31.64 2jj1 n VAL 449 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jj1 n ARG 450 N -1.98 3.83 -0.72 7.34 5.12 0.01 -4.98 116.66 125.28 2jj1 n ARG 450 Ca 0.01 -2.92 0.00 0.00 -1.93 0.00 0.00 57.85 53.01 2jj1 n ARG 450 Cb 0.11 -1.97 0.00 0.00 -1.16 0.00 0.00 32.46 29.43 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 0.31 1.25 0.09 -0.13 0.00 -0.39 -4.87 105.19 101.44 2jj1 n GLY 451 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 2jj1 n GLY 451 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jj1 n TYR 452 N -2.00 0.46 0.44 1.61 4.02 -0.97 -1.93 117.16 118.79 2jj1 n TYR 452 Ca 0.00 0.21 0.11 0.00 -0.01 0.00 0.00 57.90 58.21 2jj1 n TYR 452 Cb 0.00 -0.83 0.03 0.00 -0.02 0.00 0.00 39.34 38.52 2jj1 n TYR 452 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2jj1 n LEU 453 N -1.94 0.62 -0.29 7.72 4.77 -1.25 -4.47 117.00 122.17 2jj1 n LEU 453 Ca 0.01 0.08 0.09 0.00 -0.03 0.00 0.00 56.01 56.16 2jj1 n LEU 453 Cb 0.12 -0.10 0.32 0.00 -2.33 0.00 0.00 43.42 41.43 2jj1 n LEU 453 CO 0.12 -0.02 1.23 0.44 -1.33 0.00 0.00 177.39 177.83 2jj1 h ASP 454 N 0.00 0.76 1.33 -1.43 3.32 -1.73 -1.92 116.42 116.75 2jj1 h ASP 454 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2jj1 h ASP 454 Cb 0.80 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2jj1 h ASP 454 CO 0.00 0.42 0.00 0.11 -1.72 0.00 0.00 179.24 178.05 2jj1 h LYS 455 N 0.83 0.00 -6.79 3.56 1.57 -1.78 -3.46 116.57 110.51 2jj1 h LYS 455 Ca 0.43 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.72 2jj1 h LYS 455 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 2jj1 h LYS 455 CO -0.20 0.00 0.05 -0.51 -0.57 0.00 0.00 179.45 178.22 2jj1 s LEU 456 N -5.27 3.82 0.19 2.94 1.43 -0.72 -5.08 118.68 115.99 2jj1 s LEU 456 Ca 0.06 0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 53.86 2jj1 s LEU 456 Cb 0.09 -3.85 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 2jj1 s LEU 456 CO 0.55 -0.41 0.82 -1.61 0.23 0.00 0.00 176.35 175.94 2jj1 s GLU 457 N -4.06 4.65 0.31 1.70 2.02 -1.26 -4.98 118.70 117.08 2jj1 s GLU 457 Ca 0.48 1.25 0.08 0.00 0.02 0.00 0.00 54.97 56.81 2jj1 s GLU 457 Cb -0.10 -3.27 0.85 0.00 0.10 0.00 0.00 34.13 31.70 2jj1 s GLU 457 CO 0.35 0.56 1.74 -1.35 0.02 0.00 0.00 175.26 176.57 2jj1 h PRO 458 N 4.28 0.59 0.00 0.39 0.11 -1.97 -0.62 132.00 134.79 2jj1 h PRO 458 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jj1 h PRO 458 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jj1 h PRO 458 CO 0.67 0.39 0.00 -1.13 -0.21 0.00 0.00 178.00 177.72 2jj1 n SER 459 N -4.87 0.00 0.00 -2.05 3.41 -1.26 -2.59 113.62 106.26 2jj1 n SER 459 Ca 0.26 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2jj1 n SER 459 Cb 0.70 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.20 0.77 -0.13 4.33 5.02 -0.24 -4.72 118.16 121.98 2jj1 n LYS 460 Ca 0.05 -0.36 -0.09 0.00 -2.02 0.00 0.00 58.31 55.89 2jj1 n LYS 460 Cb 0.05 -0.85 -0.01 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.05 1.19 -0.35 -0.18 1.08 -1.53 0.17 117.51 117.94 2jj1 h ILE 461 Ca 0.00 -0.59 0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2jj1 h ILE 461 Cb 0.02 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 34.54 2jj1 h ILE 461 CO 0.00 0.21 -0.12 0.74 -0.69 0.00 0.00 178.15 178.29 2jj1 h THR 462 N 0.50 0.57 -0.23 -0.27 2.02 -1.84 0.86 112.91 114.52 2jj1 h THR 462 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 2jj1 h THR 462 Cb 0.18 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2jj1 h THR 462 CO -0.01 0.00 0.10 0.50 0.37 0.00 0.00 175.52 176.48 2jj1 h LYS 463 N -0.05 0.21 -0.87 6.66 3.64 -1.74 -2.34 116.57 122.08 2jj1 h LYS 463 Ca 0.17 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2jj1 h LYS 463 Cb 0.32 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 2jj1 h LYS 463 CO -0.39 0.14 0.56 0.35 -2.27 0.00 0.00 179.45 177.84 2jj1 h PHE 464 N 0.22 1.05 -0.71 1.91 3.57 -0.58 -2.16 116.94 120.24 2jj1 h PHE 464 Ca 0.10 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2jj1 h PHE 464 Cb 0.05 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.40 2jj1 h PHE 464 CO -0.11 0.59 0.46 1.49 -2.23 0.00 0.00 178.31 178.52 2jj1 h GLU 465 N 1.08 0.90 0.07 1.11 4.81 -0.32 0.31 114.58 122.53 2jj1 h GLU 465 Ca 0.35 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 59.27 2jj1 h GLU 465 Cb 0.03 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.22 2jj1 h GLU 465 CO -0.12 0.59 -1.11 -0.91 -0.73 0.00 0.00 179.01 176.73 2jj1 h ASN 466 N 0.92 0.65 -0.10 1.04 -0.26 -1.23 -0.80 115.58 115.80 2jj1 h ASN 466 Ca 0.27 -0.58 -0.15 0.00 -0.56 0.00 0.00 56.30 55.28 2jj1 h ASN 466 Cb -0.06 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 2jj1 h ASN 466 CO -0.08 1.40 -0.44 0.00 -1.06 0.00 0.00 177.43 177.25 2jj1 h ALA 467 N 0.54 0.74 -0.02 -0.83 0.00 -1.25 -2.43 119.26 116.01 2jj1 h ALA 467 Ca -0.13 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2jj1 h ALA 467 Cb 1.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2jj1 h ALA 467 CO 0.20 0.66 -0.05 0.35 0.00 0.00 0.00 179.25 180.41 2jj1 h PHE 468 N 0.53 0.10 -0.52 0.00 3.57 -0.41 -2.90 116.94 117.30 2jj1 h PHE 468 Ca 0.04 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2jj1 h PHE 468 Cb 0.97 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2jj1 h PHE 468 CO 0.05 0.64 0.32 1.25 -2.23 0.00 0.00 178.31 178.34 2jj1 h LEU 469 N -0.47 0.52 -0.86 0.59 5.85 -1.19 -2.10 115.31 117.65 2jj1 h LEU 469 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2jj1 h LEU 469 Cb 0.64 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2jj1 h LEU 469 CO 0.01 0.37 -0.42 0.77 -0.34 0.00 0.00 178.44 178.83 2jj1 h SER 470 N 0.63 0.00 -0.19 1.25 4.64 -1.55 -2.31 113.55 116.02 2jj1 h SER 470 Ca 0.21 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 2jj1 h SER 470 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jj1 h SER 470 CO -0.08 0.42 -0.21 -0.74 -0.87 0.00 0.00 176.83 175.35 2jj1 h HIS 471 N 0.00 0.58 -0.36 4.77 -0.00 -1.28 -2.55 115.15 116.30 2jj1 h HIS 471 Ca -0.00 -0.18 -0.10 0.00 -0.00 0.00 0.00 60.37 60.08 2jj1 h HIS 471 Cb 0.96 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 2jj1 h HIS 471 CO 0.00 0.85 -0.19 -0.39 -0.00 0.00 0.00 177.93 178.20 2jj1 h VAL 472 N 0.15 1.26 -0.70 5.26 -1.51 -1.31 -1.27 116.25 118.13 2jj1 h VAL 472 Ca 0.03 -1.26 -0.05 0.00 -1.23 0.00 0.00 66.70 64.19 2jj1 h VAL 472 Cb 0.76 1.19 -0.03 0.00 -2.13 0.00 0.00 31.29 31.08 2jj1 h VAL 472 CO 0.05 0.42 0.24 0.40 -1.23 0.00 0.00 177.57 177.44 2jj1 h ILE 473 N 0.61 1.25 0.00 7.19 2.04 -1.45 0.26 117.51 127.41 2jj1 h ILE 473 Ca 0.09 -0.83 -0.17 0.00 1.00 0.00 0.00 64.86 64.95 2jj1 h ILE 473 Cb 0.67 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2jj1 h ILE 473 CO 0.05 0.33 -1.09 -1.28 0.00 0.00 0.00 178.15 176.16 2jj1 h SER 474 N 1.02 0.00 0.00 1.72 0.87 -1.31 -3.39 113.55 112.46 2jj1 h SER 474 Ca 0.23 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.67 2jj1 h SER 474 Cb 0.26 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2jj1 h SER 474 CO -0.01 0.66 -1.47 0.00 -0.53 0.00 0.00 176.83 175.48 2jj1 n GLN 475 N -3.08 0.30 -2.26 2.24 1.13 -0.49 -4.81 117.38 110.40 2jj1 n GLN 475 Ca -0.05 0.05 -0.27 0.00 -1.94 0.00 0.00 57.00 54.78 2jj1 n GLN 475 Cb 0.84 -1.17 0.01 0.00 0.11 0.00 0.00 30.24 30.04 2jj1 n GLN 475 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2jj1 n HIS 476 N -2.72 3.19 -0.33 1.08 8.25 0.92 -4.77 115.22 120.84 2jj1 n HIS 476 Ca -0.14 -2.80 0.03 0.00 -0.26 0.00 0.00 57.72 54.55 2jj1 n HIS 476 Cb 0.66 -0.29 0.18 0.00 1.12 0.00 0.00 29.99 31.66 2jj1 n HIS 476 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2jj1 h GLN 477 N 2.48 0.95 -0.89 -0.41 1.08 -1.74 -2.81 115.11 113.77 2jj1 h GLN 477 Ca 0.35 -0.06 0.17 0.00 -1.45 0.00 0.00 58.65 57.66 2jj1 h GLN 477 Cb 1.02 -0.21 -0.10 0.00 -0.05 0.00 0.00 27.48 28.13 2jj1 h GLN 477 CO 0.90 0.63 0.47 0.00 -0.95 0.00 0.00 178.83 179.88 2jj1 h ALA 478 N 1.46 1.39 0.03 3.87 0.00 -1.91 0.32 119.26 124.42 2jj1 h ALA 478 Ca 0.43 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 2jj1 h ALA 478 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jj1 h ALA 478 CO -0.22 -0.11 -0.01 1.25 0.00 0.00 0.00 179.25 180.16 2jj1 h LEU 479 N 0.63 -0.03 -0.75 0.00 6.46 -1.90 -2.31 115.31 117.42 2jj1 h LEU 479 Ca 0.50 -0.59 0.05 0.00 -0.12 0.00 0.00 57.88 57.73 2jj1 h LEU 479 Cb 0.76 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.64 2jj1 h LEU 479 CO -0.39 0.59 0.45 -0.07 -0.62 0.00 0.00 178.44 178.40 2jj1 h LEU 480 N -0.67 0.69 -0.11 2.25 3.38 -1.38 0.21 115.31 119.67 2jj1 h LEU 480 Ca -0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2jj1 h LEU 480 Cb 0.62 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2jj1 h LEU 480 CO 0.01 0.45 -0.02 0.28 0.09 0.00 0.00 178.44 179.25 2jj1 h SER 481 N 0.83 -0.09 -0.79 -0.43 0.02 -1.00 -1.40 113.55 110.69 2jj1 h SER 481 Ca 0.33 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 2jj1 h SER 481 Cb 0.15 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 2jj1 h SER 481 CO -0.16 -0.03 0.44 0.50 -1.14 0.00 0.00 176.83 176.43 2jj1 h LYS 482 N 0.01 1.10 -0.31 3.45 1.63 -0.71 0.19 116.57 121.93 2jj1 h LYS 482 Ca 0.05 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 2jj1 h LYS 482 Cb 0.08 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 2jj1 h LYS 482 CO -0.11 0.80 -0.15 0.82 -3.45 0.00 0.00 179.45 177.36 2jj1 h ILE 483 N 1.11 1.29 -0.49 2.00 2.04 -0.86 0.20 117.51 122.80 2jj1 h ILE 483 Ca 0.28 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.92 2jj1 h ILE 483 Cb 0.02 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2jj1 h ILE 483 CO -0.05 0.40 0.28 -0.09 0.00 0.00 0.00 178.15 178.69 2jj1 h ARG 484 N 0.40 0.53 -0.13 2.37 2.43 -0.73 -0.46 114.38 118.78 2jj1 h ARG 484 Ca 0.07 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.01 2jj1 h ARG 484 Cb 0.67 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2jj1 h ARG 484 CO 0.04 0.35 -0.69 1.15 -1.51 0.00 0.00 179.97 179.32 2jj1 h THR 485 N 0.55 1.31 0.00 0.20 2.02 -0.50 -2.99 112.91 113.50 2jj1 h THR 485 Ca 0.20 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.46 2jj1 h THR 485 Cb 0.06 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2jj1 h THR 485 CO -0.11 0.60 0.00 0.44 0.37 0.00 0.00 175.52 176.82 2jj1 h ASP 486 N 0.39 0.00 -0.25 4.18 3.32 -0.63 -3.47 116.42 119.97 2jj1 h ASP 486 Ca -0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 2jj1 h ASP 486 Cb 1.33 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 2jj1 h ASP 486 CO 0.14 0.00 -0.10 0.61 -1.72 0.00 0.00 179.24 178.17 2jj1 n GLY 487 N 0.93 0.52 3.13 2.75 0.00 -0.19 -4.91 105.19 107.43 2jj1 n GLY 487 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2jj1 n GLY 487 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jj1 s LYS 488 N -2.40 0.79 -0.45 1.61 2.20 -1.20 -1.01 119.74 119.29 2jj1 s LYS 488 Ca 0.00 -1.30 -0.13 0.00 -0.36 0.00 0.00 55.97 54.18 2jj1 s LYS 488 Cb 0.00 0.24 0.08 0.00 -1.51 0.00 0.00 37.83 36.63 2jj1 s LYS 488 CO 0.00 -0.20 0.34 0.42 -0.36 0.00 0.00 175.35 175.55 2jj1 s ILE 489 N -3.98 4.83 0.63 5.43 1.01 -1.26 -4.54 121.20 123.33 2jj1 s ILE 489 Ca 0.15 -1.20 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 2jj1 s ILE 489 Cb 0.07 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 2jj1 s ILE 489 CO -0.04 -0.55 1.04 -0.94 0.00 0.00 0.00 174.94 174.44 2jj1 s SER 490 N 2.41 5.93 0.54 3.58 1.04 -1.26 -4.78 113.70 121.16 2jj1 s SER 490 Ca 0.04 1.54 0.22 0.00 0.48 0.00 0.00 55.95 58.22 2jj1 s SER 490 Cb -0.24 -2.49 1.44 0.00 0.10 0.00 0.00 66.02 64.84 2jj1 s SER 490 CO 0.05 -1.07 2.12 -0.08 0.98 0.00 0.00 173.24 175.24 2jj1 h GLU 491 N -0.28 0.00 0.23 4.02 4.81 -1.99 0.30 114.58 121.67 2jj1 h GLU 491 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2jj1 h GLU 491 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2jj1 h GLU 491 CO 0.60 0.00 -0.11 1.49 -0.73 0.00 0.00 179.01 180.26 2jj1 h GLU 492 N 0.00 -0.30 -0.94 1.92 4.81 -1.98 -3.01 114.58 115.08 2jj1 h GLU 492 Ca 0.08 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.50 2jj1 h GLU 492 Cb 0.34 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.69 2jj1 h GLU 492 CO -0.00 0.07 0.53 0.77 -0.73 0.00 0.00 179.01 179.65 2jj1 h SER 493 N -0.89 0.67 0.63 1.04 0.02 -1.49 0.75 113.55 114.28 2jj1 h SER 493 Ca -0.03 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2jj1 h SER 493 Cb 0.50 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.03 2jj1 h SER 493 CO 0.05 0.25 -0.30 -0.78 -1.14 0.00 0.00 176.83 174.91 2jj1 h ASP 494 N 0.70 -0.71 0.49 3.07 3.58 -0.61 0.52 116.42 123.46 2jj1 h ASP 494 Ca 0.53 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.96 2jj1 h ASP 494 Cb 0.80 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 2jj1 h ASP 494 CO -0.38 -0.47 -0.11 0.00 -2.88 0.00 0.00 179.24 175.39 2jj1 h ALA 495 N -0.55 1.19 0.01 -0.78 0.00 -1.17 0.13 119.26 118.09 2jj1 h ALA 495 Ca -0.09 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 2jj1 h ALA 495 Cb 0.67 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jj1 h ALA 495 CO 0.14 0.14 -1.01 -0.22 0.00 0.00 0.00 179.25 178.30 2jj1 h LYS 496 N 0.00 0.54 0.00 0.00 1.63 0.74 -3.22 116.57 116.26 2jj1 h LYS 496 Ca -0.00 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 2jj1 h LYS 496 Cb 0.39 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2jj1 h LYS 496 CO 0.01 1.22 -0.01 -0.11 -3.45 0.00 0.00 179.45 177.11 2jj1 n LEU 497 N -3.78 0.53 0.05 5.20 7.94 0.18 -2.83 117.00 124.28 2jj1 n LEU 497 Ca -0.09 0.54 -0.13 0.00 -1.11 0.00 0.00 56.01 55.23 2jj1 n LEU 497 Cb 0.87 -0.38 -0.02 0.00 0.53 0.00 0.00 43.42 44.42 2jj1 n LEU 497 CO 0.54 -0.12 0.26 0.50 -1.11 0.00 0.00 177.39 177.46 2jj1 h LYS 498 N 0.00 0.47 0.53 1.96 3.64 -0.84 -3.10 116.57 119.23 2jj1 h LYS 498 Ca 0.00 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 2jj1 h LYS 498 Cb 0.65 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2jj1 h LYS 498 CO 0.00 1.08 -0.25 0.93 -2.27 0.00 0.00 179.45 178.94 2jj1 h GLU 499 N 0.29 -0.68 -0.83 1.90 4.39 -1.55 -2.88 114.58 115.21 2jj1 h GLU 499 Ca -0.06 0.05 0.17 0.00 0.34 0.00 0.00 59.36 59.86 2jj1 h GLU 499 Cb 1.45 0.16 -0.11 0.00 -0.10 0.00 0.00 28.75 30.15 2jj1 h GLU 499 CO 0.15 -0.38 0.35 0.82 -1.16 0.00 0.00 179.01 178.80 2jj1 h ILE 500 N -0.99 0.59 -0.02 3.13 2.04 -1.62 -1.17 117.51 119.47 2jj1 h ILE 500 Ca -0.07 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2jj1 h ILE 500 Cb 0.62 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2jj1 h ILE 500 CO 0.12 0.08 -0.08 0.58 0.00 0.00 0.00 178.15 178.85 2jj1 h VAL 501 N 0.45 1.48 -0.51 1.67 2.07 -1.63 -2.54 116.25 117.25 2jj1 h VAL 501 Ca 0.48 -1.54 0.05 0.00 0.82 0.00 0.00 66.70 66.51 2jj1 h VAL 501 Cb 0.81 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.98 2jj1 h VAL 501 CO -0.45 0.41 0.23 0.74 0.02 0.00 0.00 177.57 178.52 2jj1 h THR 502 N -0.50 0.91 -0.41 2.57 2.02 -1.26 0.35 112.91 116.59 2jj1 h THR 502 Ca -0.00 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2jj1 h THR 502 Cb 0.71 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2jj1 h THR 502 CO 0.02 0.08 0.15 0.78 0.37 0.00 0.00 175.52 176.91 2jj1 h ASN 503 N 0.45 0.53 0.13 4.18 -0.26 -1.28 -2.35 115.58 116.98 2jj1 h ASN 503 Ca 0.23 -0.06 -0.19 0.00 -0.56 0.00 0.00 56.30 55.72 2jj1 h ASN 503 Cb 0.18 -0.14 0.02 0.00 -1.06 0.00 0.00 38.32 37.32 2jj1 h ASN 503 CO -0.19 0.50 -0.86 0.15 -1.06 0.00 0.00 177.43 175.97 2jj1 h PHE 504 N 0.58 0.49 -0.47 1.19 3.57 -0.96 -3.24 116.94 118.10 2jj1 h PHE 504 Ca 0.14 -0.36 -0.04 0.00 3.53 0.00 0.00 57.97 61.24 2jj1 h PHE 504 Cb 0.15 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2jj1 h PHE 504 CO 0.01 1.33 0.11 1.25 -2.23 0.00 0.00 178.31 178.78 2jj1 h LEU 505 N -0.41 0.66 -1.59 0.59 5.85 -0.93 0.33 115.31 119.81 2jj1 h LEU 505 Ca -0.16 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 2jj1 h LEU 505 Cb 1.62 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2jj1 h LEU 505 CO 0.12 0.66 -0.22 0.00 -0.34 0.00 0.00 178.44 178.66 2jj1 h ALA 506 N 1.43 1.47 -0.09 1.25 0.00 -1.56 -2.99 119.26 118.78 2jj1 h ALA 506 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jj1 h ALA 506 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jj1 h ALA 506 CO -0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2jj1 n GLY 507 N -0.73 0.74 3.68 0.00 0.00 -0.54 -4.92 105.19 103.42 2jj1 n GLY 507 Ca -0.02 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2jj1 n GLY 507 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jj1 s PHE 508 N -1.51 3.16 -3.00 1.61 5.36 0.10 -5.05 117.98 118.65 2jj1 s PHE 508 Ca 0.24 1.24 0.24 0.00 -0.96 0.00 0.00 56.93 57.69 2jj1 s PHE 508 Cb 0.16 -3.40 0.20 0.00 -0.34 0.00 0.00 43.02 39.65 2jj1 s PHE 508 CO 0.24 -1.18 1.26 0.39 -1.46 0.00 0.00 175.22 174.48