#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ij0 n THR 2 N 0.00 0.07 -1.40 6.66 -1.04 -1.26 -4.98 114.28 112.33 2ij0 n THR 2 Ca 0.00 0.02 -0.10 0.00 -2.04 0.00 0.00 64.05 61.93 2ij0 n THR 2 Cb 0.00 -0.88 -0.08 0.00 -1.82 0.00 0.00 70.33 67.55 2ij0 n THR 2 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2ij0 n ASN 3 N -2.57 0.30 -4.58 8.00 0.23 -1.26 -4.82 115.26 110.57 2ij0 n ASN 3 Ca 0.00 -2.13 -0.40 0.00 -0.53 0.00 0.00 54.58 51.52 2ij0 n ASN 3 Cb 0.00 -1.38 -0.09 0.00 -2.08 0.00 0.00 39.78 36.22 2ij0 n ASN 3 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2ij0 s ASP 4 N 5.96 6.20 0.24 0.53 1.01 -1.26 -4.93 116.67 124.42 2ij0 s ASP 4 Ca 0.58 0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.88 2ij0 s ASP 4 Cb -0.04 -2.20 0.59 0.00 1.01 0.00 0.00 42.92 42.28 2ij0 s ASP 4 CO 0.13 -0.25 1.20 -3.20 0.21 0.00 0.00 175.17 173.26 2ij0 n ASN 5 N 5.35 -0.08 -4.86 0.27 4.05 -1.26 -4.18 115.26 114.54 2ij0 n ASN 5 Ca -0.09 1.30 -0.31 0.00 0.45 0.00 0.00 54.58 55.92 2ij0 n ASN 5 Cb 0.50 -0.48 -0.02 0.00 1.23 0.00 0.00 39.78 41.02 2ij0 n ASN 5 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2ij0 s ILE 6 N -5.68 4.63 0.00 -1.44 1.01 -1.26 -0.96 121.20 117.50 2ij0 s ILE 6 Ca -0.10 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.57 2ij0 s ILE 6 Cb 0.22 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2ij0 s ILE 6 CO 0.60 -0.87 0.00 1.17 0.00 0.00 0.00 174.94 175.84 2ij0 n LYS 7 N -2.05 0.00 -0.11 2.79 3.00 -1.26 -4.65 118.16 115.87 2ij0 n LYS 7 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.12 2ij0 n LYS 7 Cb 0.54 -1.03 -0.11 0.00 0.00 0.00 0.00 35.03 34.43 2ij0 n LYS 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ij0 n ASP 8 N 0.02 1.93 0.25 3.14 10.43 -1.01 -3.43 116.55 127.88 2ij0 n ASP 8 Ca 0.00 0.33 0.09 0.00 2.57 0.00 0.00 54.79 57.78 2ij0 n ASP 8 Cb 0.00 -0.86 0.65 0.00 1.84 0.00 0.00 41.12 42.75 2ij0 n ASP 8 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2ij0 h LEU 9 N -0.85 0.00 0.02 0.64 3.38 -1.31 -2.22 115.31 114.97 2ij0 h LEU 9 Ca -0.51 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.21 2ij0 h LEU 9 Cb 1.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 2ij0 h LEU 9 CO -0.27 0.08 -1.24 0.25 0.09 0.00 0.00 178.44 177.35 2ij0 h LEU 10 N 0.00 0.06 0.00 1.67 7.12 -1.84 -2.24 115.31 120.08 2ij0 h LEU 10 Ca -0.00 -0.07 -0.15 0.00 0.13 0.00 0.00 57.88 57.78 2ij0 h LEU 10 Cb 0.15 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 2ij0 h LEU 10 CO 0.01 1.06 -0.87 0.44 -0.13 0.00 0.00 178.44 178.95 2ij0 h ASP 11 N 0.01 0.00 0.17 1.25 5.19 -1.54 -0.56 116.42 120.95 2ij0 h ASP 11 Ca -0.11 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 2ij0 h ASP 11 Cb 1.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.38 2ij0 h ASP 11 CO 0.12 0.65 -0.08 -0.25 -3.12 0.00 0.00 179.24 176.56 2ij0 h TRP 12 N 0.00 -0.22 0.00 4.55 2.91 -1.49 -3.27 115.95 118.44 2ij0 h TRP 12 Ca -0.06 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.88 2ij0 h TRP 12 Cb 1.54 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 30.25 2ij0 h TRP 12 CO 0.00 0.21 -0.38 1.88 -1.03 0.00 0.00 178.44 179.11 2ij0 h TYR 13 N -0.82 0.00 -0.00 2.65 0.05 -1.46 -3.08 116.97 114.30 2ij0 h TYR 13 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2ij0 h TYR 13 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2ij0 h TYR 13 CO 0.08 0.38 -0.25 -1.13 -1.05 0.00 0.00 178.16 176.20 2ij0 n SER 14 N -3.24 0.32 -4.86 3.88 3.41 -0.22 -4.09 113.62 108.82 2ij0 n SER 14 Ca 0.02 -0.02 -0.31 0.00 -0.26 0.00 0.00 58.87 58.29 2ij0 n SER 14 Cb 0.65 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2ij0 n SER 14 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ij0 s SER 15 N -2.91 6.53 1.26 4.04 1.04 -1.17 -5.05 113.70 117.44 2ij0 s SER 15 Ca 0.15 1.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.83 2ij0 s SER 15 Cb 0.18 -2.43 0.21 0.00 0.10 0.00 0.00 66.02 64.08 2ij0 s SER 15 CO 0.60 -0.56 0.53 0.61 0.98 0.00 0.00 173.24 175.39 2ij0 n GLY 16 N -1.65 -3.63 3.41 7.32 0.00 -1.26 -5.03 105.19 104.34 2ij0 n GLY 16 Ca 0.05 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 2ij0 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ij0 s SER 17 N -2.74 -0.15 -0.21 1.61 1.04 -1.26 -4.92 113.70 107.07 2ij0 s SER 17 Ca 0.39 -0.56 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 2ij0 s SER 17 Cb -0.06 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2ij0 s SER 17 CO 0.32 -0.95 0.36 -1.81 0.98 0.00 0.00 173.24 172.14 2ij0 s ASP 18 N -2.88 6.38 -0.19 7.02 1.01 -0.42 -4.95 116.67 122.64 2ij0 s ASP 18 Ca 0.10 0.45 0.01 0.00 0.71 0.00 0.00 52.55 53.81 2ij0 s ASP 18 Cb 0.01 -2.21 0.04 0.00 1.01 0.00 0.00 42.92 41.77 2ij0 s ASP 18 CO -0.04 -0.05 -0.12 0.28 0.21 0.00 0.00 175.17 175.45 2ij0 s THR 19 N 1.25 1.67 0.04 -1.27 -1.32 -1.25 -1.17 115.64 113.60 2ij0 s THR 19 Ca 0.17 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 59.78 2ij0 s THR 19 Cb -0.14 -1.70 -0.03 0.00 -1.51 0.00 0.00 72.50 69.12 2ij0 s THR 19 CO 0.07 0.24 -0.22 -0.36 -2.21 0.00 0.00 174.62 172.14 2ij0 s PHE 20 N 1.40 1.94 0.13 9.09 0.08 -0.41 -5.02 117.98 125.20 2ij0 s PHE 20 Ca 0.00 -0.38 0.10 0.00 0.12 0.00 0.00 56.93 56.77 2ij0 s PHE 20 Cb -0.15 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 2ij0 s PHE 20 CO -0.09 0.10 -0.24 0.95 -0.10 0.00 0.00 175.22 175.84 2ij0 s THR 21 N -0.80 2.44 -1.13 0.64 -4.23 -1.26 -0.87 115.64 110.42 2ij0 s THR 21 Ca 0.09 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 2ij0 s THR 21 Cb -0.09 -2.10 0.04 0.00 1.34 0.00 0.00 72.50 71.68 2ij0 s THR 21 CO 0.02 0.07 0.27 -3.20 -0.54 0.00 0.00 174.62 171.23 2ij0 n ASN 22 N 0.80 -3.73 -4.71 3.99 5.15 -1.07 -4.68 115.26 111.01 2ij0 n ASN 22 Ca -0.17 -0.10 -0.33 0.00 -0.60 0.00 0.00 54.58 53.38 2ij0 n ASN 22 Cb 0.53 -3.13 0.12 0.00 -0.53 0.00 0.00 39.78 36.77 2ij0 n ASN 22 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2ij0 s SER 23 N -2.40 3.75 -0.06 1.20 0.01 0.53 -4.76 113.70 111.97 2ij0 s SER 23 Ca 0.21 2.32 0.03 0.00 1.31 0.00 0.00 55.95 59.82 2ij0 s SER 23 Cb -0.11 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 2ij0 s SER 23 CO 0.26 -2.56 -0.14 -0.70 0.41 0.00 0.00 173.24 170.51 2ij0 s GLU 24 N -4.16 2.57 -0.23 12.44 2.12 0.34 -0.18 118.70 131.60 2ij0 s GLU 24 Ca 0.72 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 55.07 2ij0 s GLU 24 Cb -0.28 -2.40 -0.00 0.00 0.26 0.00 0.00 34.13 31.71 2ij0 s GLU 24 CO 0.50 0.60 1.26 0.08 -0.54 0.00 0.00 175.26 177.15 2ij0 s VAL 25 N -0.66 4.26 -0.06 3.70 1.01 0.47 -0.16 120.40 128.97 2ij0 s VAL 25 Ca 0.10 1.48 0.05 0.00 0.00 0.00 0.00 61.98 63.60 2ij0 s VAL 25 Cb -0.11 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 31.92 2ij0 s VAL 25 CO 0.01 -0.30 0.61 -0.07 0.00 0.00 0.00 175.10 175.35 2ij0 h LEU 26 N 10.22 0.17 -7.02 3.92 3.38 -0.53 0.15 115.31 125.60 2ij0 h LEU 26 Ca -0.25 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.40 2ij0 h LEU 26 Cb 1.10 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 2ij0 h LEU 26 CO 1.00 1.32 0.34 -0.62 0.09 0.00 0.00 178.44 180.57 2ij0 s ASP 27 N -6.51 -0.47 -0.24 -0.43 3.68 -0.73 -4.69 116.67 107.28 2ij0 s ASP 27 Ca -0.10 -0.01 -0.05 0.00 2.13 0.00 0.00 52.55 54.51 2ij0 s ASP 27 Cb 0.07 0.50 0.13 0.00 -1.45 0.00 0.00 42.92 42.17 2ij0 s ASP 27 CO 0.81 -0.82 0.46 0.21 0.13 0.00 0.00 175.17 175.97 2ij0 s ASN 28 N -2.63 -0.38 0.00 -0.34 3.84 -1.26 -1.55 114.94 112.62 2ij0 s ASN 28 Ca 0.03 0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.88 2ij0 s ASN 28 Cb -0.01 1.52 0.00 0.00 -0.55 0.00 0.00 41.25 42.21 2ij0 s ASN 28 CO -0.11 -0.26 0.00 -1.54 -2.79 0.00 0.00 177.10 172.40 2ij0 n SER 29 N 5.40 0.00 -2.59 -4.21 3.41 -0.94 -4.99 113.62 109.70 2ij0 n SER 29 Ca -0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.44 2ij0 n SER 29 Cb 0.50 0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.66 2ij0 n SER 29 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ij0 n LEU 30 N -2.28 2.58 0.00 1.04 4.77 -1.26 -4.85 117.00 116.99 2ij0 n LEU 30 Ca 0.00 -3.83 0.00 0.00 -0.03 0.00 0.00 56.01 52.15 2ij0 n LEU 30 Cb 0.00 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2ij0 n LEU 30 CO 0.00 1.54 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 2ij0 n GLY 31 N -0.45 0.57 2.99 -0.72 0.00 -1.26 -5.02 105.19 101.30 2ij0 n GLY 31 Ca 0.19 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2ij0 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ij0 s SER 32 N -2.13 0.28 0.01 1.61 1.04 -1.26 -0.92 113.70 112.32 2ij0 s SER 32 Ca 0.00 -0.51 0.05 0.00 0.48 0.00 0.00 55.95 55.97 2ij0 s SER 32 Cb 0.00 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 2ij0 s SER 32 CO 0.00 -0.30 -0.13 -0.04 0.98 0.00 0.00 173.24 173.76 2ij0 s MET 33 N -1.49 2.36 -0.18 4.02 1.00 0.48 -2.21 119.30 123.28 2ij0 s MET 33 Ca -0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 55.69 54.67 2ij0 s MET 33 Cb -0.10 -2.36 -0.03 0.00 0.00 0.00 0.00 34.83 32.35 2ij0 s MET 33 CO -0.01 0.58 -0.01 0.50 0.00 0.00 0.00 175.02 176.08 2ij0 s ARG 34 N -1.30 3.65 -0.02 2.03 3.52 -0.60 -0.44 118.95 125.80 2ij0 s ARG 34 Ca 0.15 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2ij0 s ARG 34 Cb -0.11 -3.01 0.03 0.00 -1.56 0.00 0.00 34.95 30.30 2ij0 s ARG 34 CO 0.05 0.12 0.02 0.42 -0.81 0.00 0.00 175.30 175.10 2ij0 s ILE 35 N 0.69 0.03 -0.26 4.11 1.01 0.32 0.26 121.20 127.37 2ij0 s ILE 35 Ca -0.01 0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 2ij0 s ILE 35 Cb -0.14 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 2ij0 s ILE 35 CO 0.02 0.10 0.30 -0.75 0.00 0.00 0.00 174.94 174.61 2ij0 s LYS 36 N 0.93 4.02 0.50 2.79 2.20 0.77 -0.61 119.74 130.35 2ij0 s LYS 36 Ca -0.08 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 2ij0 s LYS 36 Cb -0.12 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.58 2ij0 s LYS 36 CO -0.02 -0.18 0.74 -0.80 -0.36 0.00 0.00 175.35 174.73 2ij0 s ASN 37 N 1.52 5.69 -0.35 1.43 0.02 0.19 -0.50 114.94 122.94 2ij0 s ASN 37 Ca 0.12 0.34 0.02 0.00 -1.02 0.00 0.00 52.86 52.32 2ij0 s ASN 37 Cb -0.15 -1.47 0.43 0.00 0.02 0.00 0.00 41.25 40.08 2ij0 s ASN 37 CO 0.09 -0.85 1.74 0.35 0.02 0.00 0.00 177.10 178.45 2ij0 n THR 38 N -2.23 2.69 -1.97 1.60 -2.24 -1.26 -3.17 114.28 107.70 2ij0 n THR 38 Ca 0.03 -1.55 0.04 0.00 -2.27 0.00 0.00 64.05 60.30 2ij0 n THR 38 Cb 0.58 -0.78 0.07 0.00 -2.10 0.00 0.00 70.33 68.10 2ij0 n THR 38 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ij0 n ASP 39 N -0.55 1.03 -3.41 3.42 5.75 -1.26 -4.99 116.55 116.55 2ij0 n ASP 39 Ca 0.43 -2.51 -0.17 0.00 -0.01 0.00 0.00 54.79 52.52 2ij0 n ASP 39 Cb 1.16 -0.33 0.09 0.00 -1.03 0.00 0.00 41.12 41.00 2ij0 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ij0 n GLY 40 N -0.24 -0.49 3.07 6.12 0.00 -1.19 -5.02 105.19 107.44 2ij0 n GLY 40 Ca 0.08 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 2ij0 n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ij0 s SER 41 N -4.20 0.91 0.14 1.61 0.15 -1.25 -4.03 113.70 107.02 2ij0 s SER 41 Ca 0.08 -0.55 0.07 0.00 0.70 0.00 0.00 55.95 56.25 2ij0 s SER 41 Cb -0.01 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2ij0 s SER 41 CO 0.73 -0.19 -0.17 -0.63 1.20 0.00 0.00 173.24 174.19 2ij0 s ILE 42 N -1.35 1.60 -0.03 6.45 1.01 -0.00 -0.63 121.20 128.24 2ij0 s ILE 42 Ca -0.09 -1.80 0.01 0.00 0.00 0.00 0.00 60.65 58.76 2ij0 s ILE 42 Cb -0.10 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2ij0 s ILE 42 CO 0.01 -0.34 -0.01 -0.44 0.00 0.00 0.00 174.94 174.15 2ij0 s SER 43 N -2.51 0.49 -0.26 3.58 0.01 0.22 0.35 113.70 115.58 2ij0 s SER 43 Ca 0.12 -0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 2ij0 s SER 43 Cb -0.06 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 2ij0 s SER 43 CO 0.05 -0.08 0.09 -0.22 0.41 0.00 0.00 173.24 173.49 2ij0 s LEU 44 N 0.88 3.55 -0.13 2.44 2.96 0.62 -0.52 118.68 128.48 2ij0 s LEU 44 Ca -0.09 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2ij0 s LEU 44 Cb -0.13 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.64 2ij0 s LEU 44 CO -0.01 -0.05 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.18 2ij0 s ILE 45 N 1.62 1.62 0.27 6.68 1.01 0.42 -1.02 121.20 131.81 2ij0 s ILE 45 Ca 0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 2ij0 s ILE 45 Cb -0.15 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.75 2ij0 s ILE 45 CO 0.04 0.47 0.63 0.27 0.00 0.00 0.00 174.94 176.35 2ij0 s ILE 46 N 1.14 4.82 -0.39 2.92 -4.36 -0.60 -0.39 121.20 124.35 2ij0 s ILE 46 Ca -0.02 0.69 0.01 0.00 -0.26 0.00 0.00 60.65 61.06 2ij0 s ILE 46 Cb -0.14 -3.62 0.13 0.00 1.25 0.00 0.00 42.46 40.09 2ij0 s ILE 46 CO -0.05 -0.11 0.21 -0.36 0.24 0.00 0.00 174.94 174.87 2ij0 s PHE 47 N -1.88 1.43 -1.66 1.37 0.08 -0.09 -1.52 117.98 115.70 2ij0 s PHE 47 Ca 0.50 -2.03 0.26 0.00 0.12 0.00 0.00 56.93 55.78 2ij0 s PHE 47 Cb -0.11 -1.48 1.39 0.00 -0.57 0.00 0.00 43.02 42.26 2ij0 s PHE 47 CO 0.19 -0.81 1.88 -0.35 -0.10 0.00 0.00 175.22 176.03 2ij0 n PRO 48 N 3.88 0.55 -3.40 0.24 -0.04 -1.26 -4.85 135.00 130.12 2ij0 n PRO 48 Ca 0.09 0.03 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 2ij0 n PRO 48 Cb 0.36 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 2ij0 n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ij0 s SER 49 N -2.34 6.56 0.51 3.54 0.15 -1.25 -4.68 113.70 116.18 2ij0 s SER 49 Ca 0.30 0.66 0.34 0.00 0.70 0.00 0.00 55.95 57.95 2ij0 s SER 49 Cb 0.17 -2.24 1.70 0.00 -1.71 0.00 0.00 66.02 63.95 2ij0 s SER 49 CO 0.35 0.01 2.03 1.55 1.20 0.00 0.00 173.24 178.39 2ij0 h PRO 50 N 6.84 0.00 0.00 5.44 0.13 -1.87 -2.96 132.00 139.58 2ij0 h PRO 50 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2ij0 h PRO 50 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ij0 h PRO 50 CO 0.75 0.00 -0.99 0.66 -0.23 0.00 0.00 178.00 178.19 2ij0 n TYR 51 N -2.78 0.07 -3.77 1.56 4.01 -1.26 -4.72 117.16 110.27 2ij0 n TYR 51 Ca -0.01 0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 2ij0 n TYR 51 Cb 0.14 -0.21 -0.16 0.00 -0.31 0.00 0.00 39.34 38.81 2ij0 n TYR 51 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2ij0 s TYR 52 N -3.09 1.54 -0.41 -0.72 5.04 -1.12 -3.75 117.35 114.84 2ij0 s TYR 52 Ca 0.06 -1.38 0.04 0.00 -2.44 0.00 0.00 57.07 53.35 2ij0 s TYR 52 Cb 0.16 -1.41 0.17 0.00 0.35 0.00 0.00 41.96 41.22 2ij0 s TYR 52 CO 0.82 -0.75 0.46 0.45 -1.34 0.00 0.00 175.55 175.19 2ij0 s SER 53 N 1.68 0.48 0.29 4.32 0.15 -1.26 -4.26 113.70 115.10 2ij0 s SER 53 Ca 0.03 -1.79 -0.27 0.00 0.70 0.00 0.00 55.95 54.61 2ij0 s SER 53 Cb -0.17 0.76 -0.14 0.00 -1.71 0.00 0.00 66.02 64.75 2ij0 s SER 53 CO -0.15 -0.20 0.87 -2.65 1.20 0.00 0.00 173.24 172.31 2ij0 n PRO 54 N 3.79 1.02 -0.10 5.44 -0.02 -1.26 -4.93 135.00 138.95 2ij0 n PRO 54 Ca 0.16 0.36 0.06 0.00 -2.02 0.00 0.00 63.50 62.05 2ij0 n PRO 54 Cb 0.49 -1.66 0.11 0.00 -0.02 0.00 0.00 33.50 32.41 2ij0 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ij0 n ALA 55 N 0.03 2.33 -1.80 3.55 0.00 -1.26 -5.02 120.51 118.35 2ij0 n ALA 55 Ca 0.11 -0.88 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 2ij0 n ALA 55 Cb 0.32 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 2ij0 n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2ij0 s PHE 56 N -0.99 2.60 0.33 0.00 0.08 -1.26 -4.99 117.98 113.76 2ij0 s PHE 56 Ca 0.19 0.27 0.07 0.00 0.12 0.00 0.00 56.93 57.58 2ij0 s PHE 56 Cb 0.11 -4.08 -0.02 0.00 -0.57 0.00 0.00 43.02 38.46 2ij0 s PHE 56 CO 0.16 -4.25 0.35 0.95 -0.10 0.00 0.00 175.22 172.33 2ij0 s THR 57 N 1.94 3.75 0.12 0.64 -4.23 -1.26 -4.67 115.64 111.93 2ij0 s THR 57 Ca 0.76 -1.24 -0.35 0.00 -1.18 0.00 0.00 61.69 59.68 2ij0 s THR 57 Cb -0.46 -3.27 -0.15 0.00 1.34 0.00 0.00 72.50 69.96 2ij0 s THR 57 CO 0.33 -0.17 1.47 1.17 -0.54 0.00 0.00 174.62 176.88 2ij0 n LYS 58 N -1.46 1.67 0.00 3.99 4.81 -1.26 -1.90 118.16 124.01 2ij0 n LYS 58 Ca -0.01 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2ij0 n LYS 58 Cb 0.59 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.33 2ij0 n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ij0 n GLY 59 N 3.00 2.48 3.75 3.14 0.00 0.54 -4.98 105.19 113.11 2ij0 n GLY 59 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2ij0 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ij0 s GLU 60 N -0.08 3.06 -0.09 1.61 2.02 -0.80 -4.68 118.70 119.74 2ij0 s GLU 60 Ca 0.00 1.87 -0.12 0.00 0.02 0.00 0.00 54.97 56.74 2ij0 s GLU 60 Cb 0.00 -2.01 -0.05 0.00 0.10 0.00 0.00 34.13 32.18 2ij0 s GLU 60 CO 0.00 -1.15 0.28 0.15 0.02 0.00 0.00 175.26 174.57 2ij0 s LYS 61 N -3.23 3.88 0.12 1.61 -0.14 -1.26 -0.39 119.74 120.32 2ij0 s LYS 61 Ca 0.76 0.13 0.03 0.00 -1.36 0.00 0.00 55.97 55.53 2ij0 s LYS 61 Cb -0.31 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 2ij0 s LYS 61 CO 0.35 0.57 -0.09 0.14 -0.76 0.00 0.00 175.35 175.56 2ij0 s VAL 62 N -0.56 0.92 -0.04 3.17 -7.23 0.75 -4.24 120.40 113.18 2ij0 s VAL 62 Ca 0.18 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2ij0 s VAL 62 Cb -0.14 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 2ij0 s VAL 62 CO 0.07 -0.77 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.18 2ij0 s ASP 63 N -3.00 4.40 -0.18 4.85 1.11 0.15 -0.35 116.67 123.64 2ij0 s ASP 63 Ca 0.13 -0.13 -0.00 0.00 0.18 0.00 0.00 52.55 52.73 2ij0 s ASP 63 Cb 0.03 -1.01 0.01 0.00 1.07 0.00 0.00 42.92 43.01 2ij0 s ASP 63 CO -0.02 0.33 -0.15 -0.76 1.18 0.00 0.00 175.17 175.75 2ij0 s LEU 64 N -0.96 2.38 -0.41 1.23 1.02 -0.05 -0.83 118.68 121.06 2ij0 s LEU 64 Ca 0.13 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.75 2ij0 s LEU 64 Cb -0.11 -1.56 0.13 0.00 0.02 0.00 0.00 46.19 44.67 2ij0 s LEU 64 CO 0.03 0.01 0.21 0.20 0.02 0.00 0.00 176.35 176.82 2ij0 s ASN 65 N 1.24 3.73 0.15 2.29 0.02 -0.09 -1.29 114.94 120.98 2ij0 s ASN 65 Ca 0.03 -2.42 -0.02 0.00 -1.02 0.00 0.00 52.86 49.43 2ij0 s ASN 65 Cb -0.14 -1.00 -0.04 0.00 0.02 0.00 0.00 41.25 40.09 2ij0 s ASN 65 CO -0.08 -0.30 0.09 0.28 0.02 0.00 0.00 177.10 177.11 2ij0 s THR 66 N 0.62 0.08 0.19 1.60 -1.32 -0.31 -4.48 115.64 112.02 2ij0 s THR 66 Ca 0.16 -1.89 0.11 0.00 -1.21 0.00 0.00 61.69 58.86 2ij0 s THR 66 Cb -0.23 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 2ij0 s THR 66 CO -0.04 -0.36 -0.23 -0.54 -2.21 0.00 0.00 174.62 171.24 2ij0 s LYS 67 N -4.06 1.57 -0.04 7.08 1.02 -1.26 -1.30 119.74 122.74 2ij0 s LYS 67 Ca 0.26 -1.51 -0.20 0.00 0.02 0.00 0.00 55.97 54.55 2ij0 s LYS 67 Cb 0.07 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 2ij0 s LYS 67 CO 0.04 0.40 0.57 1.03 -0.92 0.00 0.00 175.35 176.46 2ij0 s ARG 68 N -2.69 4.32 0.09 1.68 0.52 -1.26 -2.45 118.95 119.15 2ij0 s ARG 68 Ca 0.21 0.65 0.21 0.00 -0.52 0.00 0.00 55.73 56.29 2ij0 s ARG 68 Cb -0.08 -3.38 -0.14 0.00 0.52 0.00 0.00 34.95 31.87 2ij0 s ARG 68 CO 0.10 0.29 0.78 0.25 0.02 0.00 0.00 175.30 176.74 2ij0 n THR 69 N 3.08 0.59 -3.86 0.02 -2.24 0.05 -4.96 114.28 106.96 2ij0 n THR 69 Ca -0.07 -0.58 -0.09 0.00 -2.27 0.00 0.00 64.05 61.04 2ij0 n THR 69 Cb 0.51 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2ij0 n THR 69 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ij0 s LYS 70 N -3.28 2.09 0.18 -0.78 -2.85 -1.25 -5.09 119.74 108.76 2ij0 s LYS 70 Ca -0.04 -1.39 -0.33 0.00 -1.00 0.00 0.00 55.97 53.21 2ij0 s LYS 70 Cb 0.10 0.59 -0.15 0.00 -2.06 0.00 0.00 37.83 36.32 2ij0 s LYS 70 CO 0.83 -0.96 1.32 1.17 0.10 0.00 0.00 175.35 177.81 2ij0 n LYS 71 N -0.52 1.58 -2.05 1.78 4.81 -1.26 -4.49 118.16 118.02 2ij0 n LYS 71 Ca -0.06 0.57 -0.32 0.00 -0.87 0.00 0.00 58.31 57.63 2ij0 n LYS 71 Cb 0.60 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.48 2ij0 n LYS 71 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2ij0 s SER 72 N 0.26 6.14 0.05 3.14 0.01 -1.26 -4.75 113.70 117.29 2ij0 s SER 72 Ca 0.73 1.59 0.02 0.00 1.31 0.00 0.00 55.95 59.60 2ij0 s SER 72 Cb -0.77 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 62.93 2ij0 s SER 72 CO 0.49 -0.92 -0.06 -1.10 0.41 0.00 0.00 173.24 172.05 2ij0 s GLN 73 N -4.53 0.54 0.48 12.44 -1.52 -0.67 -4.95 119.66 121.44 2ij0 s GLN 73 Ca 0.59 -0.84 -0.04 0.00 -1.95 0.00 0.00 55.36 53.12 2ij0 s GLN 73 Cb -0.12 -0.18 -0.02 0.00 -0.22 0.00 0.00 33.01 32.47 2ij0 s GLN 73 CO 0.42 0.01 0.76 -1.58 -0.25 0.00 0.00 175.29 174.65 2ij0 s HIS 74 N -1.87 3.44 0.00 0.91 2.46 -1.26 0.37 115.29 119.34 2ij0 s HIS 74 Ca -0.07 0.62 0.00 0.00 0.47 0.00 0.00 55.06 56.08 2ij0 s HIS 74 Cb -0.07 -2.33 0.00 0.00 -0.13 0.00 0.00 32.58 30.05 2ij0 s HIS 74 CO -0.01 -0.34 0.00 0.25 -2.47 0.00 0.00 174.74 172.16 2ij0 n THR 75 N -2.23 0.00 -3.47 0.89 -2.24 -0.27 -4.87 114.28 102.09 2ij0 n THR 75 Ca 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2ij0 n THR 75 Cb 0.56 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 2ij0 n THR 75 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ij0 s SER 76 N 0.00 -0.82 0.00 3.42 0.15 -1.26 -2.50 113.70 112.68 2ij0 s SER 76 Ca 0.00 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2ij0 s SER 76 Cb 0.00 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.22 2ij0 s SER 76 CO 0.00 -0.16 0.00 -1.84 1.20 0.00 0.00 173.24 172.44 2ij0 n GLU 77 N 5.19 0.00 -0.66 5.44 0.00 -1.26 -4.99 120.64 124.36 2ij0 n GLU 77 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 2ij0 n GLU 77 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.95 2ij0 n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ij0 n GLY 78 N 0.00 0.64 3.20 -1.84 0.00 -1.04 -5.12 105.19 101.02 2ij0 n GLY 78 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2ij0 n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ij0 s THR 79 N -1.82 1.33 -0.02 2.61 -1.32 -1.25 -4.87 115.64 110.30 2ij0 s THR 79 Ca 0.00 -1.24 -0.30 0.00 -1.21 0.00 0.00 61.69 58.94 2ij0 s THR 79 Cb 0.00 -1.22 -0.05 0.00 -1.51 0.00 0.00 72.50 69.72 2ij0 s THR 79 CO 0.00 -0.05 1.32 -0.47 -2.21 0.00 0.00 174.62 173.22 2ij0 s TYR 80 N -1.04 2.99 -0.16 9.09 5.04 -1.26 -1.11 117.35 130.91 2ij0 s TYR 80 Ca 0.03 0.97 -0.05 0.00 -2.44 0.00 0.00 57.07 55.58 2ij0 s TYR 80 Cb -0.09 -3.57 -0.03 0.00 0.35 0.00 0.00 41.96 38.62 2ij0 s TYR 80 CO 0.02 -2.01 -0.01 -1.50 -1.34 0.00 0.00 175.55 170.72 2ij0 s ILE 81 N 2.29 4.17 0.04 3.14 2.07 0.16 -0.82 121.20 132.25 2ij0 s ILE 81 Ca 0.61 -0.26 0.02 0.00 -1.41 0.00 0.00 60.65 59.61 2ij0 s ILE 81 Cb -0.29 -2.84 -0.04 0.00 0.13 0.00 0.00 42.46 39.42 2ij0 s ILE 81 CO 0.25 0.49 0.06 -1.00 -1.91 0.00 0.00 174.94 172.83 2ij0 s HIS 82 N 0.26 3.18 -0.27 3.50 3.76 0.16 -1.67 115.29 124.20 2ij0 s HIS 82 Ca -0.01 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 2ij0 s HIS 82 Cb -0.13 -1.66 0.05 0.00 1.11 0.00 0.00 32.58 31.95 2ij0 s HIS 82 CO 0.02 0.51 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.30 2ij0 s PHE 83 N -1.26 3.20 0.40 1.40 0.08 -1.26 -0.28 117.98 120.27 2ij0 s PHE 83 Ca 0.25 -1.99 0.03 0.00 0.12 0.00 0.00 56.93 55.34 2ij0 s PHE 83 Cb -0.12 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 2ij0 s PHE 83 CO 0.17 -0.82 0.08 -0.65 -0.10 0.00 0.00 175.22 173.90 2ij0 s GLN 84 N 1.21 1.89 -0.08 0.44 -0.21 -0.19 -0.77 119.66 121.95 2ij0 s GLN 84 Ca -0.05 -2.13 -0.02 0.00 0.02 0.00 0.00 55.36 53.18 2ij0 s GLN 84 Cb -0.19 -0.88 0.03 0.00 1.00 0.00 0.00 33.01 32.97 2ij0 s GLN 84 CO -0.04 -0.36 0.02 -1.50 -2.12 0.00 0.00 175.29 171.29 2ij0 s ILE 85 N -3.16 0.29 0.00 1.08 2.07 -1.02 -1.55 121.20 118.90 2ij0 s ILE 85 Ca 0.25 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.62 2ij0 s ILE 85 Cb 0.05 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 42.14 2ij0 s ILE 85 CO 0.13 0.21 0.00 -1.54 -1.91 0.00 0.00 174.94 171.83 2ij0 n SER 86 N 5.17 -1.74 -0.72 4.50 3.41 -0.58 -4.17 113.62 119.50 2ij0 n SER 86 Ca -0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.48 2ij0 n SER 86 Cb 0.50 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 2ij0 n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ij0 n GLY 87 N 0.00 0.19 3.63 5.00 0.00 -1.26 -4.65 105.19 108.08 2ij0 n GLY 87 Ca 0.00 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2ij0 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ij0 s VAL 88 N -2.32 5.25 0.35 1.61 1.01 -1.26 -0.91 120.40 124.12 2ij0 s VAL 88 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2ij0 s VAL 88 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2ij0 s VAL 88 CO 0.00 0.23 0.10 0.42 0.00 0.00 0.00 175.10 175.85 2ij0 s THR 89 N 1.65 0.80 0.98 3.92 -4.23 -0.01 -4.94 115.64 113.82 2ij0 s THR 89 Ca 0.12 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 2ij0 s THR 89 Cb -0.15 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.30 2ij0 s THR 89 CO 0.09 0.00 1.10 0.54 -0.54 0.00 0.00 174.62 175.81 2ij0 s ASN 90 N -3.50 2.47 -0.08 3.99 2.20 -1.26 -0.68 114.94 118.08 2ij0 s ASN 90 Ca 0.31 1.88 0.10 0.00 -0.94 0.00 0.00 52.86 54.22 2ij0 s ASN 90 Cb 0.06 -2.44 0.44 0.00 -2.00 0.00 0.00 41.25 37.30 2ij0 s ASN 90 CO 0.15 -3.33 1.27 0.35 -2.94 0.00 0.00 177.10 172.60 2ij0 n THR 91 N -4.37 1.16 -2.21 0.54 -2.24 -1.26 -4.24 114.28 101.66 2ij0 n THR 91 Ca 0.08 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 2ij0 n THR 91 Cb 0.53 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 2ij0 n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2ij0 s GLU 92 N -1.76 4.31 0.16 -0.78 2.02 -1.26 -4.98 118.70 116.41 2ij0 s GLU 92 Ca 0.31 2.01 0.07 0.00 0.02 0.00 0.00 54.97 57.37 2ij0 s GLU 92 Cb 0.20 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 2ij0 s GLU 92 CO 0.14 -0.49 0.01 0.15 0.02 0.00 0.00 175.26 175.09 2ij0 s LYS 93 N 1.69 2.46 0.26 1.61 -0.14 -1.26 -0.73 119.74 123.63 2ij0 s LYS 93 Ca 0.64 -1.03 -0.21 0.00 -1.36 0.00 0.00 55.97 54.01 2ij0 s LYS 93 Cb -0.34 -2.41 -0.09 0.00 -1.68 0.00 0.00 37.83 33.31 2ij0 s LYS 93 CO 0.29 0.47 0.79 -0.51 -0.76 0.00 0.00 175.35 175.63 2ij0 s LEU 94 N -2.82 4.30 0.45 3.17 1.02 0.18 -4.64 118.68 120.34 2ij0 s LEU 94 Ca 0.27 1.52 0.14 0.00 0.02 0.00 0.00 54.13 56.08 2ij0 s LEU 94 Cb -0.10 -3.78 1.00 0.00 0.02 0.00 0.00 46.19 43.33 2ij0 s LEU 94 CO 0.19 -0.03 1.99 1.55 0.02 0.00 0.00 176.35 180.07 2ij0 h PRO 95 N 3.19 0.02 -4.07 1.29 0.13 -1.98 -3.43 132.00 127.14 2ij0 h PRO 95 Ca -0.48 -0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.32 2ij0 h PRO 95 Cb 1.19 -0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 2ij0 h PRO 95 CO 0.65 0.19 -0.75 0.99 -0.23 0.00 0.00 178.00 178.85 2ij0 s THR 96 N -4.66 0.33 0.27 1.56 2.01 -1.26 -5.13 115.64 108.75 2ij0 s THR 96 Ca -0.04 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2ij0 s THR 96 Cb 0.16 -0.32 -0.14 0.00 0.01 0.00 0.00 72.50 72.21 2ij0 s THR 96 CO 0.70 0.12 1.24 -2.65 -0.69 0.00 0.00 174.62 173.34 2ij0 n PRO 97 N 3.38 1.76 -4.52 4.92 -0.02 -1.26 -4.77 135.00 134.49 2ij0 n PRO 97 Ca -0.18 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 61.63 2ij0 n PRO 97 Cb 0.56 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.74 2ij0 n PRO 97 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ij0 s ILE 98 N -0.60 2.34 -0.11 4.25 -4.36 0.85 -4.82 121.20 118.74 2ij0 s ILE 98 Ca 0.63 -1.61 -0.22 0.00 -0.26 0.00 0.00 60.65 59.19 2ij0 s ILE 98 Cb -0.67 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 2ij0 s ILE 98 CO 0.56 0.17 0.66 -0.70 0.24 0.00 0.00 174.94 175.87 2ij0 s GLU 99 N -1.84 4.36 0.10 0.37 2.12 -1.26 -0.10 118.70 122.45 2ij0 s GLU 99 Ca 0.14 0.76 -0.26 0.00 0.36 0.00 0.00 54.97 55.97 2ij0 s GLU 99 Cb -0.10 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 2ij0 s GLU 99 CO 0.06 -0.01 0.82 -0.51 -0.54 0.00 0.00 175.26 175.08 2ij0 s LEU 100 N 1.09 4.50 -1.16 2.70 1.43 -1.26 -4.94 118.68 121.04 2ij0 s LEU 100 Ca 0.34 1.59 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 2ij0 s LEU 100 Cb -0.17 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 2ij0 s LEU 100 CO 0.15 0.05 1.81 -2.16 0.23 0.00 0.00 176.35 176.42 2ij0 s PRO 101 N -0.34 3.15 -0.12 1.29 0.04 -1.26 -4.94 135.00 132.81 2ij0 s PRO 101 Ca 0.40 -1.32 -0.14 0.00 0.04 0.00 0.00 61.00 59.97 2ij0 s PRO 101 Cb -0.22 -5.33 -0.05 0.00 0.04 0.00 0.00 34.50 28.94 2ij0 s PRO 101 CO 0.26 -3.09 0.34 -1.17 0.04 0.00 0.00 177.00 173.37 2ij0 s LEU 102 N 7.84 4.30 -0.10 -3.56 2.96 -1.26 -0.03 118.68 128.82 2ij0 s LEU 102 Ca 0.61 0.64 0.02 0.00 -0.22 0.00 0.00 54.13 55.18 2ij0 s LEU 102 Cb 0.00 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.25 2ij0 s LEU 102 CO 0.07 0.14 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.52 2ij0 s LYS 103 N 0.15 2.37 0.05 1.98 1.02 -0.44 -4.98 119.74 119.89 2ij0 s LYS 103 Ca 0.19 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.60 2ij0 s LYS 103 Cb -0.14 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 2ij0 s LYS 103 CO 0.07 0.02 -0.05 0.08 -0.92 0.00 0.00 175.35 174.54 2ij0 s VAL 104 N 0.75 3.71 -0.07 3.17 1.01 -1.26 -1.19 120.40 126.53 2ij0 s VAL 104 Ca -0.11 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 60.96 2ij0 s VAL 104 Cb -0.16 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2ij0 s VAL 104 CO 0.02 0.24 -0.20 -0.54 0.00 0.00 0.00 175.10 174.63 2ij0 s LYS 105 N -1.88 2.31 -0.09 2.72 1.02 -0.53 -1.13 119.74 122.17 2ij0 s LYS 105 Ca 0.21 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.51 2ij0 s LYS 105 Cb -0.11 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.34 2ij0 s LYS 105 CO 0.12 0.20 -0.13 0.08 -0.92 0.00 0.00 175.35 174.70 2ij0 s VAL 106 N 0.24 1.30 -1.48 3.17 1.01 -0.61 -0.95 120.40 123.09 2ij0 s VAL 106 Ca -0.11 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2ij0 s VAL 106 Cb -0.15 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.05 2ij0 s VAL 106 CO 0.05 0.40 0.64 1.41 0.00 0.00 0.00 175.10 177.60 2ij0 n HIS 107 N 4.07 -2.01 -1.00 5.22 8.25 -1.25 -1.74 115.22 126.76 2ij0 n HIS 107 Ca -0.20 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 2ij0 n HIS 107 Cb 0.51 -4.16 0.00 0.00 1.12 0.00 0.00 29.99 27.47 2ij0 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ij0 n GLY 108 N -1.49 0.36 3.22 -1.41 0.00 -1.26 -4.98 105.19 99.63 2ij0 n GLY 108 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2ij0 n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ij0 s LYS 109 N -0.58 3.10 -0.21 1.61 2.20 -0.71 -5.07 119.74 120.08 2ij0 s LYS 109 Ca 0.00 -0.82 -0.38 0.00 -0.36 0.00 0.00 55.97 54.41 2ij0 s LYS 109 Cb 0.00 -2.48 -0.18 0.00 -1.51 0.00 0.00 37.83 33.66 2ij0 s LYS 109 CO 0.00 0.03 1.16 -3.47 -0.36 0.00 0.00 175.35 172.72 2ij0 n ASP 110 N 3.96 0.50 -4.26 1.43 -0.08 -1.26 -1.57 116.55 115.28 2ij0 n ASP 110 Ca -0.19 1.03 -0.37 0.00 -1.51 0.00 0.00 54.79 53.75 2ij0 n ASP 110 Cb 0.52 -0.79 -0.13 0.00 2.34 0.00 0.00 41.12 43.06 2ij0 n ASP 110 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2ij0 s SER 111 N 1.24 5.20 0.24 1.67 0.15 -0.28 -4.84 113.70 117.09 2ij0 s SER 111 Ca 0.86 -1.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.08 2ij0 s SER 111 Cb -1.21 -1.84 -0.15 0.00 -1.71 0.00 0.00 66.02 61.11 2ij0 s SER 111 CO 0.61 -0.30 1.08 -2.65 1.20 0.00 0.00 173.24 173.18 2ij0 n PRO 112 N 4.78 1.27 -1.98 5.44 -0.02 -1.26 -4.27 135.00 138.95 2ij0 n PRO 112 Ca -0.13 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.51 2ij0 n PRO 112 Cb 0.45 -1.88 0.05 0.00 -0.02 0.00 0.00 33.50 32.10 2ij0 n PRO 112 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ij0 s LEU 113 N 0.60 2.91 -0.16 2.45 1.43 -1.26 -5.02 118.68 119.63 2ij0 s LEU 113 Ca 0.65 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 2ij0 s LEU 113 Cb -0.77 -3.78 0.05 0.00 0.03 0.00 0.00 46.19 41.73 2ij0 s LEU 113 CO 0.56 -1.36 0.41 -0.75 0.23 0.00 0.00 176.35 175.44 2ij0 s LYS 114 N -5.32 0.44 -1.35 1.70 2.47 -1.26 -4.91 119.74 111.51 2ij0 s LYS 114 Ca 0.58 0.68 -0.04 0.00 -1.56 0.00 0.00 55.97 55.63 2ij0 s LYS 114 Cb -0.11 0.11 0.02 0.00 -1.46 0.00 0.00 37.83 36.39 2ij0 s LYS 114 CO 0.50 -0.11 0.31 0.66 0.16 0.00 0.00 175.35 176.88 2ij0 n TYR 115 N 3.56 -1.63 -2.53 4.03 4.01 -1.26 -4.92 117.16 118.42 2ij0 n TYR 115 Ca -0.18 0.28 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 2ij0 n TYR 115 Cb 0.56 -3.44 -0.02 0.00 -0.31 0.00 0.00 39.34 36.13 2ij0 n TYR 115 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 2ij0 s TRP 116 N -2.92 3.05 0.67 -0.72 -0.00 -1.26 -4.99 118.94 112.77 2ij0 s TRP 116 Ca 0.20 1.19 -0.11 0.00 -0.00 0.00 0.00 56.10 57.39 2ij0 s TRP 116 Cb -0.10 -3.44 -0.01 0.00 -0.00 0.00 0.00 33.47 29.92 2ij0 s TRP 116 CO 0.25 -1.17 1.05 -1.25 -0.00 0.00 0.00 176.95 175.83 2ij0 s PRO 117 N 3.42 3.21 0.12 5.86 0.04 -1.26 -5.03 135.00 141.36 2ij0 s PRO 117 Ca 0.50 0.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.23 2ij0 s PRO 117 Cb -0.18 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2ij0 s PRO 117 CO 0.12 -0.85 0.34 0.15 0.04 0.00 0.00 177.00 176.80 2ij0 s LYS 118 N -5.19 3.58 0.02 4.56 1.02 -1.26 -4.58 119.74 117.89 2ij0 s LYS 118 Ca 0.57 -0.16 0.08 0.00 0.02 0.00 0.00 55.97 56.48 2ij0 s LYS 118 Cb -0.12 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 2ij0 s LYS 118 CO 0.54 0.50 -0.25 -0.06 -0.92 0.00 0.00 175.35 175.17 2ij0 s PHE 119 N -1.62 2.38 -0.13 3.18 0.08 0.86 -4.83 117.98 117.90 2ij0 s PHE 119 Ca 0.39 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 57.14 2ij0 s PHE 119 Cb -0.12 -1.45 0.15 0.00 -0.57 0.00 0.00 43.02 41.03 2ij0 s PHE 119 CO 0.25 0.09 1.10 -0.40 -0.10 0.00 0.00 175.22 176.16 2ij0 n ASP 120 N 1.98 2.30 -4.89 1.36 5.75 -1.26 -0.11 116.55 121.69 2ij0 n ASP 120 Ca -0.17 -2.43 -0.34 0.00 -0.01 0.00 0.00 54.79 51.85 2ij0 n ASP 120 Cb 0.52 -0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 40.36 2ij0 n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2ij0 s LYS 121 N -1.74 3.41 0.16 0.11 1.02 -1.26 0.49 119.74 121.93 2ij0 s LYS 121 Ca 0.15 -0.29 -0.09 0.00 0.02 0.00 0.00 55.97 55.76 2ij0 s LYS 121 Cb 0.12 -3.10 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2ij0 s LYS 121 CO 0.03 0.70 1.52 -0.22 -0.92 0.00 0.00 175.35 176.46 2ij0 h LYS 122 N 4.09 0.89 -6.09 1.68 3.64 -1.19 -3.42 116.57 116.17 2ij0 h LYS 122 Ca -0.50 -0.43 -0.68 0.00 -1.27 0.00 0.00 60.65 57.76 2ij0 h LYS 122 Cb 1.20 -0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.75 2ij0 h LYS 122 CO 0.66 1.08 -0.81 -0.65 -2.27 0.00 0.00 179.45 177.47 2ij0 s GLN 123 N -4.47 2.65 0.06 1.90 -0.21 -1.26 -0.85 119.66 117.48 2ij0 s GLN 123 Ca -0.10 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 54.57 2ij0 s GLN 123 Cb 0.12 -2.35 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 2ij0 s GLN 123 CO 0.87 0.48 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.86 2ij0 s LEU 124 N -0.38 2.23 0.44 2.90 1.43 -0.82 -4.89 118.68 119.59 2ij0 s LEU 124 Ca 0.04 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 2ij0 s LEU 124 Cb -0.12 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.41 2ij0 s LEU 124 CO 0.02 -0.01 1.13 0.00 0.23 0.00 0.00 176.35 177.73 2ij0 s ALA 125 N -1.06 3.02 0.16 4.21 0.00 -1.26 -1.57 121.76 125.26 2ij0 s ALA 125 Ca 0.01 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 2ij0 s ALA 125 Cb -0.09 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.74 2ij0 s ALA 125 CO 0.02 -0.52 1.79 0.82 0.00 0.00 0.00 175.76 177.86 2ij0 h ILE 126 N 2.00 1.00 -0.99 0.00 1.08 -1.79 0.94 117.51 119.76 2ij0 h ILE 126 Ca -0.49 -0.16 0.23 0.00 -0.39 0.00 0.00 64.86 64.05 2ij0 h ILE 126 Cb 1.24 0.51 -0.09 0.00 -3.07 0.00 0.00 36.82 35.41 2ij0 h ILE 126 CO 0.61 0.08 0.63 0.77 -0.69 0.00 0.00 178.15 179.56 2ij0 h SER 127 N 0.45 0.52 -0.02 1.72 4.64 -1.93 0.43 113.55 119.37 2ij0 h SER 127 Ca 0.17 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2ij0 h SER 127 Cb 0.05 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2ij0 h SER 127 CO -0.11 0.16 -0.01 0.74 -0.87 0.00 0.00 176.83 176.74 2ij0 h THR 128 N 0.49 1.35 -0.93 2.95 2.02 -1.18 -1.31 112.91 116.30 2ij0 h THR 128 Ca 0.55 -1.06 0.24 0.00 0.77 0.00 0.00 66.41 66.91 2ij0 h THR 128 Cb 1.25 2.04 -0.13 0.00 -1.74 0.00 0.00 68.15 69.57 2ij0 h THR 128 CO -0.28 0.28 0.45 -0.07 0.37 0.00 0.00 175.52 176.26 2ij0 h LEU 129 N -0.40 0.40 -0.06 2.58 -0.00 -0.57 -1.77 115.31 115.51 2ij0 h LEU 129 Ca 0.00 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 2ij0 h LEU 129 Cb 0.46 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2ij0 h LEU 129 CO 0.00 -0.00 -0.00 -0.78 -0.00 0.00 0.00 178.44 177.66 2ij0 h ASP 130 N 0.42 0.10 1.31 -0.43 3.58 -0.38 -0.69 116.42 120.33 2ij0 h ASP 130 Ca 0.60 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2ij0 h ASP 130 Cb 1.17 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2ij0 h ASP 130 CO -0.53 0.40 0.00 2.19 -2.88 0.00 0.00 179.24 178.41 2ij0 h PHE 131 N -0.20 0.00 -0.05 0.28 -5.15 -0.79 -1.40 116.94 109.63 2ij0 h PHE 131 Ca 0.02 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.63 2ij0 h PHE 131 Cb 0.35 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.53 2ij0 h PHE 131 CO 0.04 0.00 -0.59 0.93 -2.00 0.00 0.00 178.31 176.69 2ij0 h GLU 132 N 0.00 0.48 0.13 6.09 4.39 -1.24 -1.59 114.58 122.84 2ij0 h GLU 132 Ca 0.00 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 2ij0 h GLU 132 Cb 0.65 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2ij0 h GLU 132 CO 0.00 1.10 -0.06 0.82 -1.16 0.00 0.00 179.01 179.71 2ij0 h ILE 133 N 0.03 0.96 -0.10 3.13 2.04 -0.89 -2.23 117.51 120.45 2ij0 h ILE 133 Ca -0.06 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 2ij0 h ILE 133 Cb 1.27 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2ij0 h ILE 133 CO 0.12 0.09 -0.18 0.03 0.00 0.00 0.00 178.15 178.20 2ij0 h ARG 134 N -0.34 0.15 -0.44 2.37 3.08 -1.37 -1.17 114.38 116.67 2ij0 h ARG 134 Ca -0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2ij0 h ARG 134 Cb 0.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2ij0 h ARG 134 CO 0.03 0.34 -0.02 1.25 -1.07 0.00 0.00 179.97 180.49 2ij0 h HIS 135 N 0.15 0.87 -0.64 3.04 2.76 -1.19 0.55 115.15 120.69 2ij0 h HIS 135 Ca 0.03 -0.16 0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2ij0 h HIS 135 Cb 0.41 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.09 2ij0 h HIS 135 CO 0.00 0.86 0.33 0.37 -1.30 0.00 0.00 177.93 178.20 2ij0 h GLN 136 N 0.63 0.59 -0.35 5.26 5.75 -0.94 -1.42 115.11 124.63 2ij0 h GLN 136 Ca 0.12 -0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.43 2ij0 h GLN 136 Cb 0.53 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 2ij0 h GLN 136 CO 0.03 0.39 -0.40 -0.07 -2.65 0.00 0.00 178.83 176.13 2ij0 h LEU 137 N 0.61 0.95 -0.33 -2.39 3.38 -0.74 -1.66 115.31 115.14 2ij0 h LEU 137 Ca 0.29 -0.48 -0.19 0.00 0.09 0.00 0.00 57.88 57.59 2ij0 h LEU 137 Cb 0.22 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ij0 h LEU 137 CO -0.20 1.24 -0.70 0.71 0.09 0.00 0.00 178.44 179.58 2ij0 h THR 138 N 0.68 1.32 0.00 0.22 1.35 0.22 -2.32 112.91 114.38 2ij0 h THR 138 Ca 0.05 -1.99 -0.10 0.00 -0.55 0.00 0.00 66.41 63.82 2ij0 h THR 138 Cb 0.99 1.97 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 2ij0 h THR 138 CO 0.10 0.62 -1.13 1.56 -0.25 0.00 0.00 175.52 176.41 2ij0 h GLN 139 N 0.43 0.00 0.00 4.72 1.08 -1.24 -3.34 115.11 116.77 2ij0 h GLN 139 Ca -0.03 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 2ij0 h GLN 139 Cb 1.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 2ij0 h GLN 139 CO 0.13 0.21 -1.26 -0.89 -0.95 0.00 0.00 178.83 176.08 2ij0 n ILE 140 N -2.87 0.18 -0.09 2.54 -0.00 -0.63 -4.80 119.36 113.69 2ij0 n ILE 140 Ca -0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 2ij0 n ILE 140 Cb 0.73 -0.42 0.00 0.00 -0.00 0.00 0.00 39.64 39.94 2ij0 n ILE 140 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2ij0 n HIS 141 N -1.98 0.00 -0.99 1.39 8.25 -0.99 -5.01 115.22 115.88 2ij0 n HIS 141 Ca -0.05 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 2ij0 n HIS 141 Cb 0.45 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2ij0 n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ij0 n GLY 142 N -0.29 0.76 3.61 -1.41 0.00 -1.05 -4.97 105.19 101.84 2ij0 n GLY 142 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 2ij0 n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ij0 n LEU 143 N 0.00 2.06 -0.78 0.99 0.00 -0.91 -0.98 117.00 117.39 2ij0 n LEU 143 Ca 0.00 1.11 -0.10 0.00 0.00 0.00 0.00 56.01 57.02 2ij0 n LEU 143 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 43.42 42.12 2ij0 n LEU 143 CO 0.00 -0.86 -0.10 -1.22 0.00 0.00 0.00 177.39 175.22 2ij0 n TYR 144 N 2.63 0.00 0.25 1.96 4.01 0.11 -4.47 117.16 121.65 2ij0 n TYR 144 Ca 0.17 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.95 2ij0 n TYR 144 Cb 0.23 -2.40 -0.04 0.00 -0.31 0.00 0.00 39.34 36.82 2ij0 n TYR 144 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2ij0 n ARG 145 N -1.40 3.68 -3.65 -0.72 1.74 -0.15 -4.74 116.66 111.42 2ij0 n ARG 145 Ca -0.10 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 2ij0 n ARG 145 Cb 0.50 -0.90 -0.08 0.00 -1.02 0.00 0.00 32.46 30.95 2ij0 n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ij0 s SER 146 N -1.92 -0.48 0.51 0.55 1.04 -1.25 -5.06 113.70 107.08 2ij0 s SER 146 Ca 0.01 0.65 0.19 0.00 0.48 0.00 0.00 55.95 57.28 2ij0 s SER 146 Cb 0.05 0.66 1.27 0.00 0.10 0.00 0.00 66.02 68.10 2ij0 s SER 146 CO 0.29 -0.42 2.06 0.77 0.98 0.00 0.00 173.24 176.92 2ij0 h SER 147 N 4.02 0.08 -0.42 7.02 4.64 -1.95 1.00 113.55 127.95 2ij0 h SER 147 Ca -0.28 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.11 2ij0 h SER 147 Cb 1.16 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 2ij0 h SER 147 CO 0.32 0.05 -0.16 -0.67 -0.87 0.00 0.00 176.83 175.50 2ij0 n ASP 148 N -4.46 -0.26 -3.91 4.97 4.64 -1.26 -4.20 116.55 112.07 2ij0 n ASP 148 Ca 0.04 0.73 -0.30 0.00 -1.38 0.00 0.00 54.79 53.87 2ij0 n ASP 148 Cb 0.34 -0.17 -0.15 0.00 -1.04 0.00 0.00 41.12 40.10 2ij0 n ASP 148 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2ij0 s LYS 149 N -5.41 1.26 0.00 -0.67 3.01 0.35 -4.59 119.74 113.68 2ij0 s LYS 149 Ca -0.06 -1.68 0.00 0.00 -1.01 0.00 0.00 55.97 53.23 2ij0 s LYS 149 Cb 0.09 -2.78 0.00 0.00 -1.01 0.00 0.00 37.83 34.12 2ij0 s LYS 149 CO 0.30 -0.98 0.00 0.25 0.51 0.00 0.00 175.35 175.43 2ij0 n THR 150 N 4.33 0.00 -2.76 2.17 -2.24 -1.26 0.08 114.28 114.60 2ij0 n THR 150 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2ij0 n THR 150 Cb 0.41 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 2ij0 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ij0 n GLY 151 N 0.00 5.11 0.00 3.38 0.00 -1.26 -3.65 105.19 108.77 2ij0 n GLY 151 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2ij0 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ij0 n GLY 152 N 0.00 -0.84 3.26 -0.02 0.00 -1.26 -3.41 105.19 102.92 2ij0 n GLY 152 Ca 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 2ij0 n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ij0 s TYR 153 N 0.00 0.61 0.10 1.61 1.13 -0.56 0.14 117.35 120.38 2ij0 s TYR 153 Ca 0.00 -0.98 0.10 0.00 -1.41 0.00 0.00 57.07 54.78 2ij0 s TYR 153 Cb 0.00 -0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.58 2ij0 s TYR 153 CO 0.00 -0.64 -0.26 1.67 -2.51 0.00 0.00 175.55 173.81 2ij0 s TRP 154 N -4.01 2.25 -0.04 -3.49 1.48 -0.08 -1.13 118.94 113.92 2ij0 s TRP 154 Ca 0.21 -0.39 -0.01 0.00 -1.06 0.00 0.00 56.10 54.84 2ij0 s TRP 154 Cb 0.05 -1.27 0.03 0.00 -1.16 0.00 0.00 33.47 31.12 2ij0 s TRP 154 CO 0.01 0.25 0.03 0.21 -4.06 0.00 0.00 176.95 173.39 2ij0 s LYS 155 N -1.74 0.21 -0.15 3.25 2.20 0.11 -1.42 119.74 122.20 2ij0 s LYS 155 Ca 0.12 0.21 -0.06 0.00 -0.36 0.00 0.00 55.97 55.88 2ij0 s LYS 155 Cb -0.10 -0.61 -0.04 0.00 -1.51 0.00 0.00 37.83 35.57 2ij0 s LYS 155 CO 0.04 -0.26 0.07 0.42 -0.36 0.00 0.00 175.35 175.27 2ij0 s ILE 156 N 1.74 4.91 -0.11 5.43 1.01 0.66 -0.26 121.20 134.57 2ij0 s ILE 156 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.68 2ij0 s ILE 156 Cb -0.13 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.18 2ij0 s ILE 156 CO -0.03 0.53 -0.22 -0.89 0.00 0.00 0.00 174.94 174.32 2ij0 s THR 157 N -0.22 1.98 1.12 2.92 2.01 -0.48 -0.46 115.64 122.50 2ij0 s THR 157 Ca 0.08 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 60.95 2ij0 s THR 157 Cb -0.12 -1.74 0.25 0.00 0.01 0.00 0.00 72.50 70.91 2ij0 s THR 157 CO 0.01 0.54 1.17 -0.04 -0.69 0.00 0.00 174.62 175.62 2ij0 s MET 158 N 0.58 -0.56 0.38 4.92 -1.94 -0.50 0.65 119.30 122.83 2ij0 s MET 158 Ca -0.13 -0.15 0.12 0.00 -1.71 0.00 0.00 55.69 53.82 2ij0 s MET 158 Cb -0.17 -1.68 0.75 0.00 2.01 0.00 0.00 34.83 35.75 2ij0 s MET 158 CO 0.04 -3.26 1.86 -0.91 -0.01 0.00 0.00 175.02 172.74 2ij0 h ASN 159 N -2.25 0.06 -0.62 3.03 2.35 -1.02 -2.87 115.58 114.26 2ij0 h ASN 159 Ca -0.45 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2ij0 h ASN 159 Cb 1.28 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2ij0 h ASN 159 CO 0.37 0.37 0.00 -0.90 -1.65 0.00 0.00 177.43 175.61 2ij0 n ASP 160 N -4.16 5.00 0.00 5.81 3.85 -1.26 -4.95 116.55 120.85 2ij0 n ASP 160 Ca -0.02 -2.59 0.00 0.00 -0.71 0.00 0.00 54.79 51.48 2ij0 n ASP 160 Cb 0.36 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 2ij0 n ASP 160 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ij0 n GLY 161 N 0.98 2.53 3.75 6.12 0.00 -1.08 -5.01 105.19 112.48 2ij0 n GLY 161 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 2ij0 n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ij0 s SER 162 N -2.86 5.06 0.13 1.61 1.04 -1.26 -4.77 113.70 112.65 2ij0 s SER 162 Ca 0.00 2.40 0.05 0.00 0.48 0.00 0.00 55.95 58.88 2ij0 s SER 162 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2ij0 s SER 162 CO 0.00 -1.68 -0.11 0.42 0.98 0.00 0.00 173.24 172.84 2ij0 s THR 163 N -1.62 1.20 -0.04 2.02 -4.23 -1.26 -1.41 115.64 110.30 2ij0 s THR 163 Ca 0.77 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 2ij0 s THR 163 Cb -0.31 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 71.88 2ij0 s THR 163 CO 0.35 -0.60 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.42 2ij0 s TYR 164 N -2.78 1.08 0.02 3.99 1.51 0.39 -4.98 117.35 116.58 2ij0 s TYR 164 Ca 0.12 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2ij0 s TYR 164 Cb -0.01 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 2ij0 s TYR 164 CO 0.01 -0.16 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.11 2ij0 s GLN 165 N 0.42 0.35 0.00 -0.62 0.74 -1.26 -0.25 119.66 119.04 2ij0 s GLN 165 Ca -0.07 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 54.94 2ij0 s GLN 165 Cb -0.11 -0.20 -0.00 0.00 1.10 0.00 0.00 33.01 33.79 2ij0 s GLN 165 CO 0.01 0.04 -0.01 0.45 -0.55 0.00 0.00 175.29 175.23 2ij0 s SER 166 N -0.79 0.10 -0.10 6.67 0.15 -0.51 -4.99 113.70 114.23 2ij0 s SER 166 Ca -0.05 -0.11 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 2ij0 s SER 166 Cb -0.06 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 2ij0 s SER 166 CO -0.00 -0.06 0.48 -0.62 1.20 0.00 0.00 173.24 174.24 2ij0 s ASP 167 N -0.32 6.71 0.00 5.45 2.15 -1.26 -0.90 116.67 128.49 2ij0 s ASP 167 Ca -0.03 0.85 0.28 0.00 0.43 0.00 0.00 52.55 54.08 2ij0 s ASP 167 Cb -0.02 -2.29 1.14 0.00 -0.30 0.00 0.00 42.92 41.45 2ij0 s ASP 167 CO -0.00 0.03 1.85 0.18 -0.17 0.00 0.00 175.17 177.06 2ij0 n LEU 168 N 3.49 0.11 0.00 -1.34 4.77 0.12 -2.79 117.00 121.37 2ij0 n LEU 168 Ca -0.07 0.37 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 2ij0 n LEU 168 Cb 0.52 -0.42 0.59 0.00 -2.33 0.00 0.00 43.42 41.77 2ij0 n LEU 168 CO 0.43 0.03 0.92 -1.54 -1.33 0.00 0.00 177.39 175.89 2ij0 n SER 169 N -1.45 0.00 -4.35 -1.43 3.41 -1.24 -4.57 113.62 103.99 2ij0 n SER 169 Ca 0.08 0.24 -0.18 0.00 -0.26 0.00 0.00 58.87 58.74 2ij0 n SER 169 Cb 0.33 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 2ij0 n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ij0 s LYS 170 N -2.81 1.36 0.64 4.33 1.02 -1.12 -4.98 119.74 118.19 2ij0 s LYS 170 Ca 0.18 -1.67 -0.11 0.00 0.02 0.00 0.00 55.97 54.39 2ij0 s LYS 170 Cb 0.17 -0.82 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 2ij0 s LYS 170 CO 0.43 -0.01 1.04 0.21 -0.92 0.00 0.00 175.35 176.10 2ij0 s LYS 171 N -3.79 3.47 0.22 1.68 2.47 -1.26 -4.84 119.74 117.68 2ij0 s LYS 171 Ca 0.27 0.70 -0.30 0.00 -1.56 0.00 0.00 55.97 55.07 2ij0 s LYS 171 Cb 0.04 -2.07 -0.10 0.00 -1.46 0.00 0.00 37.83 34.24 2ij0 s LYS 171 CO 0.08 -0.65 1.45 0.12 0.16 0.00 0.00 175.35 176.51 2ij0 s PHE 172 N -3.21 3.06 -1.07 4.03 5.36 -1.26 -4.91 117.98 119.98 2ij0 s PHE 172 Ca 0.56 0.97 -0.22 0.00 -0.96 0.00 0.00 56.93 57.27 2ij0 s PHE 172 Cb -0.11 -3.81 -0.00 0.00 -0.34 0.00 0.00 43.02 38.76 2ij0 s PHE 172 CO 0.54 -2.72 1.74 -1.83 -1.46 0.00 0.00 175.22 171.49 2ij0 s GLU 173 N 0.01 3.16 0.39 10.12 1.03 -1.26 -4.82 118.70 127.33 2ij0 s GLU 173 Ca 0.61 -1.05 0.07 0.00 0.03 0.00 0.00 54.97 54.63 2ij0 s GLU 173 Cb -0.41 -5.29 0.80 0.00 -0.80 0.00 0.00 34.13 28.43 2ij0 s GLU 173 CO 0.40 -2.89 2.00 1.88 -1.33 0.00 0.00 175.26 175.31 2ij0 h TYR 174 N 9.79 0.46 0.00 4.83 0.05 -1.99 -3.09 116.97 127.03 2ij0 h TYR 174 Ca 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.99 2ij0 h TYR 174 Cb 0.97 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2ij0 h TYR 174 CO 1.28 0.37 0.00 -0.91 -1.05 0.00 0.00 178.16 177.85 2ij0 h ASN 175 N 0.47 0.00 0.00 3.88 4.21 -1.88 -2.90 115.58 119.36 2ij0 h ASN 175 Ca 0.12 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.57 2ij0 h ASN 175 Cb 0.10 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 37.18 2ij0 h ASN 175 CO -0.01 0.00 -0.57 1.07 -1.29 0.00 0.00 177.43 176.63 2ij0 n THR 176 N -2.41 1.15 -2.16 2.81 5.66 -1.17 -4.05 114.28 114.10 2ij0 n THR 176 Ca 0.02 -1.90 -0.41 0.00 -3.05 0.00 0.00 64.05 58.71 2ij0 n THR 176 Cb 0.24 0.25 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 2ij0 n THR 176 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2ij0 s GLU 177 N -1.70 4.35 0.62 1.09 2.12 -1.10 -4.93 118.70 119.15 2ij0 s GLU 177 Ca 0.30 2.13 -0.06 0.00 0.36 0.00 0.00 54.97 57.70 2ij0 s GLU 177 Cb 0.30 -3.16 0.02 0.00 0.26 0.00 0.00 34.13 31.55 2ij0 s GLU 177 CO -0.07 -0.29 0.93 0.15 -0.54 0.00 0.00 175.26 175.44 2ij0 s LYS 178 N -0.29 2.76 0.98 4.30 -0.14 -1.26 -3.17 119.74 122.92 2ij0 s LYS 178 Ca 0.57 -0.04 -0.12 0.00 -1.36 0.00 0.00 55.97 55.02 2ij0 s LYS 178 Cb -0.38 -2.24 0.18 0.00 -1.68 0.00 0.00 37.83 33.71 2ij0 s LYS 178 CO 0.40 -0.83 1.08 -2.14 -0.76 0.00 0.00 175.35 173.11 2ij0 s PRO 179 N -5.06 0.55 1.01 -1.68 0.02 -1.25 -4.49 135.00 124.11 2ij0 s PRO 179 Ca 0.55 0.76 -0.11 0.00 0.02 0.00 0.00 61.00 62.22 2ij0 s PRO 179 Cb -0.11 -1.73 0.20 0.00 0.02 0.00 0.00 34.50 32.88 2ij0 s PRO 179 CO 0.45 -2.71 1.09 -2.14 -0.33 0.00 0.00 177.00 173.36 2ij0 s PRO 180 N -4.84 0.26 0.14 5.54 0.02 -1.26 -4.50 135.00 130.36 2ij0 s PRO 180 Ca 0.65 1.20 0.07 0.00 0.02 0.00 0.00 61.00 62.94 2ij0 s PRO 180 Cb -0.20 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 2ij0 s PRO 180 CO 0.59 -3.04 -0.15 0.96 -0.33 0.00 0.00 177.00 175.03 2ij0 s ILE 181 N -2.60 1.47 -0.43 2.83 -4.36 -0.61 -4.96 121.20 112.55 2ij0 s ILE 181 Ca 0.67 -1.81 -0.28 0.00 -0.26 0.00 0.00 60.65 58.97 2ij0 s ILE 181 Cb -0.23 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 41.82 2ij0 s ILE 181 CO 0.61 -0.41 1.60 0.20 0.24 0.00 0.00 174.94 177.17 2ij0 s ASN 182 N -2.58 6.02 0.44 4.36 0.01 -1.26 -1.94 114.94 119.99 2ij0 s ASN 182 Ca 0.12 0.84 0.21 0.00 -0.71 0.00 0.00 52.86 53.32 2ij0 s ASN 182 Cb -0.05 -2.53 1.01 0.00 0.41 0.00 0.00 41.25 40.09 2ij0 s ASN 182 CO 0.04 -1.69 1.90 0.16 -1.51 0.00 0.00 177.10 176.01 2ij0 h ILE 183 N 6.62 0.85 0.00 0.60 3.07 -1.29 0.24 117.51 127.59 2ij0 h ILE 183 Ca -0.29 -1.01 0.00 0.00 1.55 0.00 0.00 64.86 65.11 2ij0 h ILE 183 Cb 1.13 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 2ij0 h ILE 183 CO 1.10 0.25 0.00 -0.90 -1.05 0.00 0.00 178.15 177.55 2ij0 n ASP 184 N -3.75 0.00 -0.73 2.16 5.75 -1.26 -2.30 116.55 116.43 2ij0 n ASP 184 Ca -0.01 0.33 0.09 0.00 -0.01 0.00 0.00 54.79 55.18 2ij0 n ASP 184 Cb 0.36 -0.37 0.08 0.00 -1.03 0.00 0.00 41.12 40.15 2ij0 n ASP 184 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ij0 n GLU 185 N -1.37 1.53 -2.31 0.11 1.02 0.07 -4.93 120.64 114.75 2ij0 n GLU 185 Ca 0.02 -1.59 -0.42 0.00 -0.02 0.00 0.00 57.16 55.15 2ij0 n GLU 185 Cb 0.05 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 2ij0 n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ij0 s ILE 186 N -1.51 3.82 -0.21 -3.67 1.01 -0.97 -0.36 121.20 119.31 2ij0 s ILE 186 Ca 0.21 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.93 2ij0 s ILE 186 Cb 0.15 -3.81 -0.16 0.00 0.01 0.00 0.00 42.46 38.66 2ij0 s ILE 186 CO 0.23 0.05 0.09 1.17 0.00 0.00 0.00 174.94 176.47 2ij0 n LYS 187 N 4.57 0.55 -3.99 2.79 3.00 0.21 -4.84 118.16 120.45 2ij0 n LYS 187 Ca 0.11 0.53 -0.08 0.00 -0.00 0.00 0.00 58.31 58.87 2ij0 n LYS 187 Cb 0.45 -1.71 -0.09 0.00 0.00 0.00 0.00 35.03 33.68 2ij0 n LYS 187 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2ij0 s THR 188 N -2.37 0.18 -0.11 3.15 2.01 -1.14 -4.83 115.64 112.53 2ij0 s THR 188 Ca -0.28 -1.53 0.02 0.00 0.31 0.00 0.00 61.69 60.22 2ij0 s THR 188 Cb 0.06 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.13 2ij0 s THR 188 CO 0.53 -0.83 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.81 2ij0 s ILE 189 N -3.90 1.75 -0.08 1.82 1.01 0.95 -1.39 121.20 121.37 2ij0 s ILE 189 Ca 0.07 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.94 2ij0 s ILE 189 Cb 0.07 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 2ij0 s ILE 189 CO -0.10 0.49 -0.19 -1.61 0.00 0.00 0.00 174.94 173.53 2ij0 s GLU 190 N 0.79 2.80 -0.00 2.79 2.02 0.64 -1.32 118.70 126.40 2ij0 s GLU 190 Ca -0.10 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.16 2ij0 s GLU 190 Cb -0.16 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 2ij0 s GLU 190 CO 0.01 0.38 -0.18 0.00 0.02 0.00 0.00 175.26 175.49 2ij0 s ALA 191 N -0.13 1.50 -0.05 5.21 0.00 -0.33 0.08 121.76 128.03 2ij0 s ALA 191 Ca -0.03 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.14 2ij0 s ALA 191 Cb -0.14 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2ij0 s ALA 191 CO 0.04 0.36 -0.06 -1.21 0.00 0.00 0.00 175.76 174.89 2ij0 s GLU 192 N -0.55 0.96 -0.16 0.00 2.02 -0.28 -1.46 118.70 119.22 2ij0 s GLU 192 Ca 0.07 -0.16 -0.07 0.00 0.02 0.00 0.00 54.97 54.82 2ij0 s GLU 192 Cb -0.07 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 2ij0 s GLU 192 CO -0.00 -0.05 0.09 0.42 0.02 0.00 0.00 175.26 175.73 2ij0 s ILE 193 N 0.83 5.05 0.00 -1.63 1.01 -0.12 -1.50 121.20 124.83 2ij0 s ILE 193 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2ij0 s ILE 193 Cb -0.15 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2ij0 s ILE 193 CO 0.01 0.50 0.43 0.59 0.00 0.00 0.00 174.94 176.48