#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij2 n THR 3 N 0.00 0.18 -2.63 3.84 -1.04 -1.26 -4.91 114.28 108.46 3ij2 n THR 3 Ca 0.00 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 3ij2 n THR 3 Cb 0.00 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.04 3ij2 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ij2 h SER 5 N 7.35 0.89 -0.54 0.00 0.02 -1.91 -3.36 113.55 116.01 3ij2 h SER 5 Ca -0.27 -0.79 -0.03 0.00 -0.84 0.00 0.00 61.79 59.87 3ij2 h SER 5 Cb 1.11 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3ij2 h SER 5 CO 0.91 1.58 0.23 0.74 -1.14 0.00 0.00 176.83 179.16 3ij2 h THR 6 N 0.32 1.21 0.00 -2.27 2.02 -1.91 -3.47 112.91 108.82 3ij2 h THR 6 Ca -0.17 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3ij2 h THR 6 Cb 1.82 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 3ij2 h THR 6 CO 0.22 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.97 3ij2 n GLY 7 N -0.85 0.93 3.69 2.16 0.00 -1.26 -4.96 105.19 104.90 3ij2 n GLY 7 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3ij2 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ij2 s LEU 8 N 0.00 3.55 -0.03 0.99 1.43 -1.26 -5.08 118.68 118.28 3ij2 s LEU 8 Ca 0.00 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3ij2 s LEU 8 Cb 0.00 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3ij2 s LEU 8 CO 0.00 0.32 -0.20 -0.31 0.23 0.00 0.00 176.35 176.39 3ij2 s TYR 9 N -1.01 1.89 0.82 0.29 2.02 -1.26 -1.67 117.35 118.42 3ij2 s TYR 9 Ca 0.17 -0.44 -0.13 0.00 -0.37 0.00 0.00 57.07 56.30 3ij2 s TYR 9 Cb -0.11 -1.23 0.09 0.00 -0.40 0.00 0.00 41.96 40.30 3ij2 s TYR 9 CO 0.07 -0.10 1.19 -0.08 -1.57 0.00 0.00 175.55 175.07 3ij2 s THR 10 N -0.28 2.10 0.26 -0.71 -1.32 0.11 -4.85 115.64 110.95 3ij2 s THR 10 Ca 0.03 0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.53 3ij2 s THR 10 Cb -0.10 -2.39 0.24 0.00 -1.51 0.00 0.00 72.50 68.74 3ij2 s THR 10 CO 0.01 -0.03 1.77 0.45 -2.21 0.00 0.00 174.62 174.61 3ij2 h HIS 11 N -1.03 0.80 0.00 9.09 3.86 -1.74 0.36 115.15 126.48 3ij2 h HIS 11 Ca -0.46 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3ij2 h HIS 11 Cb 1.29 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3ij2 h HIS 11 CO 0.48 0.22 0.01 -1.13 0.86 0.00 0.00 177.93 178.37 3ij2 n SER 12 N -4.84 0.00 0.00 2.45 3.41 -1.26 -4.79 113.62 108.60 3ij2 n SER 12 Ca 0.16 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3ij2 n SER 12 Cb 0.40 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3ij2 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ij2 n GLY 13 N -1.09 3.18 3.56 5.00 0.00 0.11 -5.07 105.19 110.89 3ij2 n GLY 13 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3ij2 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ij2 s GLU 14 N -0.39 -0.24 0.20 1.61 2.02 -1.25 -4.58 118.70 116.08 3ij2 s GLU 14 Ca 0.00 0.95 -0.23 0.00 0.02 0.00 0.00 54.97 55.71 3ij2 s GLU 14 Cb 0.00 -1.62 -0.08 0.00 0.10 0.00 0.00 34.13 32.52 3ij2 s GLU 14 CO 0.00 -3.30 0.77 0.00 0.02 0.00 0.00 175.26 172.75 3ij2 s LYS 17 N -0.69 4.10 0.57 0.00 1.02 -1.26 -4.62 119.74 118.85 3ij2 s LYS 17 Ca 0.34 1.61 -0.17 0.00 0.02 0.00 0.00 55.97 57.77 3ij2 s LYS 17 Cb -0.21 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.21 3ij2 s LYS 17 CO 0.22 -0.89 1.05 0.00 -0.92 0.00 0.00 175.35 174.81 3ij2 s ALA 18 N 3.95 2.79 -0.32 5.17 0.00 -1.26 -4.44 121.76 127.65 3ij2 s ALA 18 Ca 0.59 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 3ij2 s ALA 18 Cb -0.22 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3ij2 s ALA 18 CO 0.20 -0.67 0.23 0.00 0.00 0.00 0.00 175.76 175.52 3ij2 n ASN 20 N 5.11 -0.57 -4.72 0.00 2.04 -1.26 -1.38 115.26 114.50 3ij2 n ASN 20 Ca -0.13 -0.46 -0.42 0.00 -0.44 0.00 0.00 54.58 53.14 3ij2 n ASN 20 Cb 0.50 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.72 3ij2 n ASN 20 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3ij2 s LEU 21 N 0.00 4.37 0.00 -4.53 2.01 -1.23 -1.64 118.68 117.66 3ij2 s LEU 21 Ca 0.00 2.41 0.00 0.00 0.01 0.00 0.00 54.13 56.55 3ij2 s LEU 21 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 46.19 42.61 3ij2 s LEU 21 CO 0.00 -0.70 0.00 0.61 1.01 0.00 0.00 176.35 177.27 3ij2 n GLY 22 N 3.57 0.96 3.02 -3.19 0.00 0.24 -4.79 105.19 105.00 3ij2 n GLY 22 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3ij2 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ij2 s GLU 23 N -0.28 2.05 0.31 1.61 2.02 -0.65 0.45 118.70 124.22 3ij2 s GLU 23 Ca 0.00 -0.49 0.09 0.00 0.02 0.00 0.00 54.97 54.59 3ij2 s GLU 23 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 3ij2 s GLU 23 CO 0.00 -0.13 0.07 0.20 0.02 0.00 0.00 175.26 175.42 3ij2 s GLY 24 N 1.19 1.86 0.02 -1.39 0.00 -1.07 -3.98 107.32 103.95 3ij2 s GLY 24 Ca -0.03 -1.78 -0.30 0.00 0.00 0.00 0.00 44.72 42.60 3ij2 s GLY 24 CO -0.04 -1.76 1.48 0.14 0.00 0.00 0.00 173.10 172.92 3ij2 s VAL 25 N -2.40 3.50 -0.22 1.40 1.01 -0.59 -2.82 120.40 120.28 3ij2 s VAL 25 Ca 0.35 0.90 -0.16 0.00 0.00 0.00 0.00 61.98 63.07 3ij2 s VAL 25 Cb -0.03 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 3ij2 s VAL 25 CO 0.21 -0.00 -0.18 0.00 0.00 0.00 0.00 175.10 175.13 3ij2 n ALA 26 N 5.46 0.90 -3.73 5.51 0.00 0.41 -4.55 120.51 124.52 3ij2 n ALA 26 Ca 0.14 -0.78 -0.24 0.00 0.00 0.00 0.00 53.44 52.56 3ij2 n ALA 26 Cb 0.43 -0.09 -0.17 0.00 0.00 0.00 0.00 19.45 19.62 3ij2 n ALA 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ij2 s GLN 27 N -2.51 0.44 0.98 0.00 2.00 -1.20 -4.99 119.66 114.37 3ij2 s GLN 27 Ca -0.30 0.01 -0.13 0.00 -2.00 0.00 0.00 55.36 52.94 3ij2 s GLN 27 Cb 0.08 -1.27 0.10 0.00 0.80 0.00 0.00 33.01 32.72 3ij2 s GLN 27 CO 0.46 -0.43 0.63 -0.35 -0.50 0.00 0.00 175.29 175.10 3ij2 n PRO 28 N 5.17 -0.64 -1.85 1.67 -0.04 -1.26 -1.87 135.00 136.18 3ij2 n PRO 28 Ca -0.07 -0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 62.83 3ij2 n PRO 28 Cb 0.49 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3ij2 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ij2 n GLY 30 N 3.96 1.27 0.36 0.00 0.00 -1.26 -4.35 105.19 105.17 3ij2 n GLY 30 Ca 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 3ij2 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij2 h ALA 31 N -2.00 -0.32 -3.51 4.61 0.00 -1.99 -2.97 119.26 113.06 3ij2 h ALA 31 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ij2 h ALA 31 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ij2 h ALA 31 CO 0.00 -0.80 0.00 -0.25 0.00 0.00 0.00 179.25 178.20 3ij2 n ASP 32 N -5.42 1.17 -4.15 0.00 8.00 -1.26 -4.48 116.55 110.42 3ij2 n ASP 32 Ca -0.00 -0.51 -0.30 0.00 0.71 0.00 0.00 54.79 54.69 3ij2 n ASP 32 Cb 0.34 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.65 3ij2 n ASP 32 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ij2 s GLN 33 N -0.14 -0.38 0.35 -1.24 -1.52 -1.26 -4.30 119.66 111.17 3ij2 s GLN 33 Ca 0.00 0.04 -0.27 0.00 -1.95 0.00 0.00 55.36 53.18 3ij2 s GLN 33 Cb 0.00 -1.68 -0.09 0.00 -0.22 0.00 0.00 33.01 31.01 3ij2 s GLN 33 CO 0.00 -3.18 1.14 0.99 -0.25 0.00 0.00 175.29 174.00 3ij2 s THR 34 N -3.15 3.30 -0.30 -0.19 2.01 -1.26 -4.25 115.64 111.80 3ij2 s THR 34 Ca 0.69 1.17 -0.06 0.00 0.31 0.00 0.00 61.69 63.80 3ij2 s THR 34 Cb -0.11 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.72 3ij2 s THR 34 CO 0.56 0.18 0.07 0.54 -0.69 0.00 0.00 174.62 175.28 3ij2 s VAL 35 N -1.33 3.85 0.01 3.82 0.11 -0.78 -4.89 120.40 121.18 3ij2 s VAL 35 Ca 0.52 -0.79 -0.11 0.00 -2.93 0.00 0.00 61.98 58.68 3ij2 s VAL 35 Cb -0.31 -3.01 -0.05 0.00 -1.53 0.00 0.00 36.38 31.48 3ij2 s VAL 35 CO 0.39 0.05 0.35 0.00 -3.33 0.00 0.00 175.10 172.56 3ij2 s GLU 37 N -1.47 0.68 0.54 0.00 4.04 -1.13 -4.92 118.70 116.45 3ij2 s GLU 37 Ca 0.26 -0.17 -0.21 0.00 0.04 0.00 0.00 54.97 54.90 3ij2 s GLU 37 Cb -0.15 -0.68 -0.06 0.00 0.02 0.00 0.00 34.13 33.26 3ij2 s GLU 37 CO 0.14 0.03 1.12 -2.30 -1.84 0.00 0.00 175.26 172.41 3ij2 n PRO 38 N 3.50 1.31 -1.63 -4.83 -0.02 -1.26 -2.60 135.00 129.47 3ij2 n PRO 38 Ca -0.20 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.46 3ij2 n PRO 38 Cb 0.54 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.80 3ij2 n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ij2 s LEU 40 N -5.62 4.53 0.21 0.00 2.96 -1.26 -4.90 118.68 114.60 3ij2 s LEU 40 Ca 0.59 1.43 -0.30 0.00 -0.22 0.00 0.00 54.13 55.64 3ij2 s LEU 40 Cb -0.14 -3.11 -0.08 0.00 0.50 0.00 0.00 46.19 43.36 3ij2 s LEU 40 CO 0.54 0.19 1.05 -0.62 -1.32 0.00 0.00 176.35 176.19 3ij2 s ASP 41 N -0.86 7.37 0.00 3.68 -1.08 -1.26 -0.56 116.67 123.96 3ij2 s ASP 41 Ca 0.33 2.08 0.00 0.00 -0.52 0.00 0.00 52.55 54.44 3ij2 s ASP 41 Cb -0.21 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 3ij2 s ASP 41 CO 0.22 -0.10 0.00 -1.20 0.52 0.00 0.00 175.17 174.61 3ij2 n SER 42 N 1.90 -2.01 0.03 -0.34 7.64 -1.13 -4.65 113.62 115.07 3ij2 n SER 42 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3ij2 n SER 42 Cb 0.46 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 3ij2 n SER 42 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3ij2 n VAL 43 N -2.48 0.04 -4.46 0.44 0.31 -1.15 -4.82 118.33 106.21 3ij2 n VAL 43 Ca 0.00 0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.12 3ij2 n VAL 43 Cb 0.05 -0.65 -0.10 0.00 -0.91 0.00 0.00 33.84 32.23 3ij2 n VAL 43 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3ij2 s THR 44 N -2.00 0.90 -0.29 2.52 -4.23 0.28 0.61 115.64 113.42 3ij2 s THR 44 Ca 0.00 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 3ij2 s THR 44 Cb 0.00 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.38 3ij2 s THR 44 CO 0.00 0.00 1.12 0.72 -0.54 0.00 0.00 174.62 175.92 3ij2 s PHE 45 N -3.33 -0.38 -0.48 3.99 -0.12 -0.64 -4.03 117.98 113.00 3ij2 s PHE 45 Ca 0.32 0.82 -0.09 0.00 -0.05 0.00 0.00 56.93 57.93 3ij2 s PHE 45 Cb 0.06 0.33 0.12 0.00 -0.63 0.00 0.00 43.02 42.91 3ij2 s PHE 45 CO 0.15 -0.18 0.35 0.45 -0.05 0.00 0.00 175.22 175.94 3ij2 s SER 46 N 0.71 5.71 -0.22 1.98 0.15 -0.35 -2.35 113.70 119.32 3ij2 s SER 46 Ca -0.02 -1.94 0.03 0.00 0.70 0.00 0.00 55.95 54.72 3ij2 s SER 46 Cb -0.04 -2.01 0.37 0.00 -1.71 0.00 0.00 66.02 62.63 3ij2 s SER 46 CO -0.12 -0.69 1.45 -0.90 1.20 0.00 0.00 173.24 174.18 3ij2 n ASP 47 N 4.88 3.42 -3.77 5.45 3.85 -1.26 -0.59 116.55 128.52 3ij2 n ASP 47 Ca -0.07 -2.81 -0.10 0.00 -0.71 0.00 0.00 54.79 51.10 3ij2 n ASP 47 Cb 0.41 -0.67 -0.04 0.00 -1.35 0.00 0.00 41.12 39.46 3ij2 n ASP 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3ij2 s VAL 48 N -1.79 0.03 -0.83 2.12 0.11 -1.26 -4.98 120.40 113.80 3ij2 s VAL 48 Ca 0.30 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.46 3ij2 s VAL 48 Cb 0.25 -1.62 0.21 0.00 -1.53 0.00 0.00 36.38 33.68 3ij2 s VAL 48 CO 0.06 -0.15 0.70 0.68 -3.33 0.00 0.00 175.10 173.06 3ij2 s VAL 49 N -3.89 4.17 0.01 2.04 -7.23 -1.23 -3.55 120.40 110.71 3ij2 s VAL 49 Ca 0.10 -3.70 0.04 0.00 -1.81 0.00 0.00 61.98 56.62 3ij2 s VAL 49 Cb -0.00 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.31 3ij2 s VAL 49 CO -0.02 -1.04 -0.12 -0.55 -0.31 0.00 0.00 175.10 173.05 3ij2 s SER 50 N -0.03 1.43 0.00 4.85 0.15 -0.48 -4.68 113.70 114.95 3ij2 s SER 50 Ca 0.25 -0.29 0.30 0.00 0.70 0.00 0.00 55.95 56.91 3ij2 s SER 50 Cb -0.10 -0.13 1.72 0.00 -1.71 0.00 0.00 66.02 65.80 3ij2 s SER 50 CO -0.11 0.10 2.12 0.00 1.20 0.00 0.00 173.24 176.55 3ij2 n ALA 51 N 2.50 2.67 -0.07 5.45 0.00 -1.26 -0.58 120.51 129.21 3ij2 n ALA 51 Ca -0.15 -0.22 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 3ij2 n ALA 51 Cb 0.56 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 3ij2 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ij2 n THR 52 N -0.84 1.12 -2.47 0.00 -2.24 -1.26 -4.67 114.28 103.92 3ij2 n THR 52 Ca 0.22 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 3ij2 n THR 52 Cb 0.13 -1.85 -0.04 0.00 -2.10 0.00 0.00 70.33 66.47 3ij2 n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ij2 s GLU 53 N -2.41 4.59 0.00 -0.78 2.02 -1.26 -4.58 118.70 116.28 3ij2 s GLU 53 Ca -0.23 1.79 0.00 0.00 0.02 0.00 0.00 54.97 56.55 3ij2 s GLU 53 Cb 0.07 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 31.07 3ij2 s GLU 53 CO 0.30 0.09 0.00 -0.35 0.02 0.00 0.00 175.26 175.32 3ij2 n PRO 54 N 1.98 1.38 -2.51 0.39 -0.04 -1.26 -1.55 135.00 133.39 3ij2 n PRO 54 Ca 0.02 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 3ij2 n PRO 54 Cb 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 3ij2 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ij2 s LYS 56 N 5.72 1.62 0.08 0.00 1.02 -0.99 -4.57 119.74 122.61 3ij2 s LYS 56 Ca 0.40 1.29 -0.28 0.00 0.02 0.00 0.00 55.97 57.40 3ij2 s LYS 56 Cb -0.08 -1.81 -0.06 0.00 -0.52 0.00 0.00 37.83 35.35 3ij2 s LYS 56 CO 0.17 -2.13 0.87 -1.25 -0.92 0.00 0.00 175.35 172.10 3ij2 s PRO 57 N -4.79 4.61 -0.02 -1.68 0.04 -1.26 -1.62 135.00 130.27 3ij2 s PRO 57 Ca 0.64 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 3ij2 s PRO 57 Cb -0.20 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 3ij2 s PRO 57 CO 0.57 0.25 2.01 0.00 0.04 0.00 0.00 177.00 179.87 3ij2 n THR 59 N 5.90 0.01 -3.93 0.00 -1.04 -1.26 -4.95 114.28 109.02 3ij2 n THR 59 Ca 0.22 -0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.94 3ij2 n THR 59 Cb 0.40 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 68.39 3ij2 n THR 59 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3ij2 s GLU 60 N 0.49 3.43 -0.21 -2.82 2.02 -1.26 -4.72 118.70 115.62 3ij2 s GLU 60 Ca 0.88 -0.51 -0.07 0.00 0.02 0.00 0.00 54.97 55.29 3ij2 s GLU 60 Cb -1.11 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 3ij2 s GLU 60 CO 0.53 0.58 0.07 0.00 0.02 0.00 0.00 175.26 176.45 3ij2 s LEU 62 N 0.86 1.97 0.00 0.00 0.05 -1.23 -4.90 118.68 115.43 3ij2 s LEU 62 Ca 0.04 -0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.02 3ij2 s LEU 62 Cb -0.14 0.19 0.00 0.00 -2.05 0.00 0.00 46.19 44.19 3ij2 s LEU 62 CO 0.02 -0.18 0.00 0.61 -0.55 0.00 0.00 176.35 176.26 3ij2 n GLY 63 N 2.26 1.75 0.16 -3.48 0.00 -1.26 -1.90 105.19 102.73 3ij2 n GLY 63 Ca -0.18 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.75 3ij2 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ij2 n LEU 64 N 0.00 0.62 -4.57 0.99 4.77 -1.26 -4.68 117.00 112.87 3ij2 n LEU 64 Ca 0.00 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 3ij2 n LEU 64 Cb 0.00 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3ij2 n LEU 64 CO 0.00 0.11 1.48 -1.10 -1.33 0.00 0.00 177.39 176.55 3ij2 s GLN 65 N -2.42 3.02 0.06 3.23 -1.52 -0.80 -1.65 119.66 119.59 3ij2 s GLN 65 Ca 0.30 0.78 0.02 0.00 -1.95 0.00 0.00 55.36 54.50 3ij2 s GLN 65 Cb 0.20 -4.26 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 3ij2 s GLN 65 CO 0.47 -2.26 0.12 -1.54 -0.25 0.00 0.00 175.29 171.83 3ij2 s SER 66 N 6.45 5.82 0.22 5.90 1.04 -0.37 -3.49 113.70 129.28 3ij2 s SER 66 Ca 0.66 0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.89 3ij2 s SER 66 Cb -0.15 -1.66 -0.09 0.00 0.10 0.00 0.00 66.02 64.23 3ij2 s SER 66 CO 0.25 0.18 1.05 -0.32 0.98 0.00 0.00 173.24 175.39 3ij2 s MET 67 N -2.35 4.68 -0.15 4.02 1.75 -1.26 0.24 119.30 126.23 3ij2 s MET 67 Ca 0.30 1.68 -0.04 0.00 -1.25 0.00 0.00 55.69 56.39 3ij2 s MET 67 Cb -0.12 -3.25 -0.08 0.00 2.84 0.00 0.00 34.83 34.21 3ij2 s MET 67 CO 0.23 0.24 -0.17 -1.13 -0.65 0.00 0.00 175.02 173.54 3ij2 n SER 68 N 1.76 1.93 -4.02 1.11 3.41 0.10 -4.80 113.62 113.12 3ij2 n SER 68 Ca 0.00 0.06 -0.25 0.00 -0.26 0.00 0.00 58.87 58.42 3ij2 n SER 68 Cb 0.46 -0.35 -0.17 0.00 -0.26 0.00 0.00 64.21 63.89 3ij2 n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ij2 s ALA 69 N -2.29 1.30 0.81 7.33 0.00 -0.52 -4.95 121.76 123.45 3ij2 s ALA 69 Ca -0.21 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 3ij2 s ALA 69 Cb 0.07 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.66 3ij2 s ALA 69 CO 0.30 0.07 1.09 -1.25 0.00 0.00 0.00 175.76 175.97 3ij2 s PRO 70 N 0.75 1.95 -0.15 0.00 0.04 -1.26 0.09 135.00 136.42 3ij2 s PRO 70 Ca -0.13 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.83 3ij2 s PRO 70 Cb -0.16 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3ij2 s PRO 70 CO 0.03 -1.83 0.43 0.00 0.04 0.00 0.00 177.00 175.67 3ij2 s VAL 72 N 0.84 1.05 0.27 0.00 1.01 0.58 -2.82 120.40 121.34 3ij2 s VAL 72 Ca 0.23 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.17 3ij2 s VAL 72 Cb -0.15 -1.99 0.26 0.00 0.00 0.00 0.00 36.38 34.50 3ij2 s VAL 72 CO 0.09 -0.63 1.72 -0.33 0.00 0.00 0.00 175.10 175.95 3ij2 h GLU 73 N 2.71 0.45 -0.28 2.72 3.07 -1.84 -0.97 114.58 120.45 3ij2 h GLU 73 Ca -0.37 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.35 3ij2 h GLU 73 Cb 1.20 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3ij2 h GLU 73 CO 0.64 0.30 -0.31 0.00 -1.40 0.00 0.00 179.01 178.23 3ij2 h ALA 74 N 1.62 0.94 -2.85 3.43 0.00 -1.87 -0.90 119.26 119.64 3ij2 h ALA 74 Ca 0.49 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3ij2 h ALA 74 Cb 0.82 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 18.26 3ij2 h ALA 74 CO -0.45 0.61 -0.45 0.34 0.00 0.00 0.00 179.25 179.31 3ij2 s ASP 75 N -6.82 -0.09 0.55 0.00 3.68 -0.37 -4.03 116.67 109.60 3ij2 s ASP 75 Ca -0.08 0.04 -0.18 0.00 2.13 0.00 0.00 52.55 54.46 3ij2 s ASP 75 Cb 0.13 0.29 -0.06 0.00 -1.45 0.00 0.00 42.92 41.84 3ij2 s ASP 75 CO 0.82 -0.29 1.06 -0.62 0.13 0.00 0.00 175.17 176.26 3ij2 s ASP 76 N -0.92 5.99 0.31 -0.34 2.15 -1.26 -0.31 116.67 122.29 3ij2 s ASP 76 Ca -0.10 1.90 -0.29 0.00 0.43 0.00 0.00 52.55 54.49 3ij2 s ASP 76 Cb -0.05 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 39.92 3ij2 s ASP 76 CO 0.02 -1.03 1.27 0.00 -0.17 0.00 0.00 175.17 175.26 3ij2 s ALA 77 N -2.20 3.48 -0.15 3.66 0.00 -1.25 -4.70 121.76 120.60 3ij2 s ALA 77 Ca 0.66 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.77 3ij2 s ALA 77 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3ij2 s ALA 77 CO 0.29 -0.55 -0.05 0.08 0.00 0.00 0.00 175.76 175.53 3ij2 s VAL 78 N -1.05 3.70 0.25 0.00 1.01 0.11 -4.65 120.40 119.78 3ij2 s VAL 78 Ca 0.49 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3ij2 s VAL 78 Cb -0.38 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3ij2 s VAL 78 CO 0.50 0.49 0.42 0.00 0.00 0.00 0.00 175.10 176.51 3ij2 s ARG 80 N -3.82 1.71 0.64 0.00 0.52 0.14 -4.76 118.95 113.38 3ij2 s ARG 80 Ca 0.37 -1.49 -0.18 0.00 -0.52 0.00 0.00 55.73 53.91 3ij2 s ARG 80 Cb -0.10 0.46 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 3ij2 s ARG 80 CO 0.31 -0.71 1.26 0.00 0.02 0.00 0.00 175.30 176.18 3ij2 s ALA 82 N -1.39 1.10 0.28 0.00 0.00 -0.66 -4.63 121.76 116.47 3ij2 s ALA 82 Ca 0.82 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 3ij2 s ALA 82 Cb -0.39 -3.20 0.53 0.00 0.00 0.00 0.00 23.12 20.07 3ij2 s ALA 82 CO 0.41 -2.71 1.52 0.98 0.00 0.00 0.00 175.76 175.96 3ij2 n TYR 83 N -4.13 0.43 0.22 0.00 -0.00 -1.26 -0.97 117.16 111.46 3ij2 n TYR 83 Ca 0.06 1.19 0.09 0.00 -0.00 0.00 0.00 57.90 59.24 3ij2 n TYR 83 Cb 0.55 -1.11 0.50 0.00 -0.00 0.00 0.00 39.34 39.28 3ij2 n TYR 83 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 3ij2 h GLY 84 N 0.00 0.00 -0.76 2.98 0.00 -1.96 -3.48 103.07 99.86 3ij2 h GLY 84 Ca 0.50 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 47.19 3ij2 h GLY 84 CO -0.98 0.00 -0.53 -0.19 0.00 0.00 0.00 176.54 174.84 3ij2 s TYR 85 N -3.82 1.94 0.08 5.60 1.51 -0.14 -0.47 117.35 122.05 3ij2 s TYR 85 Ca -0.01 -0.98 0.02 0.00 -1.01 0.00 0.00 57.07 55.09 3ij2 s TYR 85 Cb 0.11 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 3ij2 s TYR 85 CO 0.64 0.15 -0.07 1.52 -1.11 0.00 0.00 175.55 176.68 3ij2 s TYR 86 N -2.93 0.81 -0.07 2.71 -0.85 0.26 -4.48 117.35 112.79 3ij2 s TYR 86 Ca 0.14 -0.83 -0.30 0.00 -0.52 0.00 0.00 57.07 55.57 3ij2 s TYR 86 Cb 0.03 -0.48 -0.03 0.00 0.38 0.00 0.00 41.96 41.87 3ij2 s TYR 86 CO 0.08 -0.15 1.17 -1.14 -1.52 0.00 0.00 175.55 173.98 3ij2 s GLN 87 N -3.29 4.36 -0.32 -3.49 2.00 0.28 -2.19 119.66 117.01 3ij2 s GLN 87 Ca 0.06 1.62 -0.22 0.00 -2.00 0.00 0.00 55.36 54.83 3ij2 s GLN 87 Cb 0.02 -3.56 -0.00 0.00 0.80 0.00 0.00 33.01 30.26 3ij2 s GLN 87 CO -0.04 -0.44 0.70 0.34 -0.50 0.00 0.00 175.29 175.36 3ij2 s ASP 88 N 1.43 6.55 0.16 6.67 -1.08 -1.01 -4.61 116.67 124.79 3ij2 s ASP 88 Ca 0.54 0.47 0.15 0.00 -0.52 0.00 0.00 52.55 53.19 3ij2 s ASP 88 Cb -0.23 -2.36 0.70 0.00 -1.46 0.00 0.00 42.92 39.56 3ij2 s ASP 88 CO 0.21 -0.57 1.45 -0.62 0.52 0.00 0.00 175.17 176.16 3ij2 n GLU 89 N 6.08 0.09 0.00 4.34 -0.58 -1.26 -0.60 120.64 128.70 3ij2 n GLU 89 Ca 0.01 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 3ij2 n GLU 89 Cb 0.48 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3ij2 n GLU 89 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ij2 n GLU 90 N -1.90 -0.26 0.00 3.49 1.02 -1.26 -4.65 120.64 117.07 3ij2 n GLU 90 Ca 0.01 -0.67 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 3ij2 n GLU 90 Cb 0.09 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3ij2 n GLU 90 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3ij2 n THR 91 N -0.09 0.00 -0.46 2.62 -1.04 -0.73 -4.98 114.28 109.60 3ij2 n THR 91 Ca 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3ij2 n THR 91 Cb 0.05 1.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 3ij2 n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ij2 n GLY 92 N 0.50 0.00 3.51 3.41 0.00 0.23 -4.87 105.19 107.98 3ij2 n GLY 92 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3ij2 n GLY 92 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ij2 s HIS 93 N -0.50 2.52 -0.66 1.61 5.65 -1.26 -4.87 115.29 117.78 3ij2 s HIS 93 Ca 0.00 -0.27 -0.27 0.00 0.25 0.00 0.00 55.06 54.77 3ij2 s HIS 93 Cb 0.00 -1.26 0.01 0.00 -1.18 0.00 0.00 32.58 30.15 3ij2 s HIS 93 CO 0.00 0.48 1.56 0.00 -0.65 0.00 0.00 174.74 176.13 3ij2 s GLU 95 N 6.30 3.53 0.31 0.00 8.01 -0.93 -4.88 118.70 131.05 3ij2 s GLU 95 Ca 0.51 -0.28 -0.25 0.00 0.01 0.00 0.00 54.97 54.96 3ij2 s GLU 95 Cb -0.10 -2.90 -0.10 0.00 -4.31 0.00 0.00 34.13 26.72 3ij2 s GLU 95 CO 0.19 0.48 0.91 0.00 0.01 0.00 0.00 175.26 176.85 3ij2 s ALA 96 N -1.69 3.24 0.13 5.21 0.00 -1.26 -0.57 121.76 126.81 3ij2 s ALA 96 Ca 0.38 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 3ij2 s ALA 96 Cb -0.12 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 19.77 3ij2 s ALA 96 CO 0.27 0.20 1.82 0.00 0.00 0.00 0.00 175.76 178.05 3ij2 s SER 98 N 2.57 6.83 0.54 0.00 1.04 -1.26 -4.95 113.70 118.47 3ij2 s SER 98 Ca 0.81 2.63 -0.06 0.00 0.48 0.00 0.00 55.95 59.81 3ij2 s SER 98 Cb -0.49 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 62.96 3ij2 s SER 98 CO 0.37 -0.49 0.86 0.68 0.98 0.00 0.00 173.24 175.64 3ij2 s VAL 99 N -1.06 4.40 -0.57 5.02 -7.23 -1.26 -4.48 120.40 115.23 3ij2 s VAL 99 Ca 0.49 0.21 -0.18 0.00 -1.81 0.00 0.00 61.98 60.69 3ij2 s VAL 99 Cb -0.39 -3.71 0.10 0.00 0.56 0.00 0.00 36.38 32.95 3ij2 s VAL 99 CO 0.51 -0.74 0.64 0.00 -0.31 0.00 0.00 175.10 175.20 3ij2 s GLU 101 N 2.38 1.39 0.80 0.00 0.41 -1.26 -2.61 118.70 119.81 3ij2 s GLU 101 Ca 0.09 1.37 -0.17 0.00 -0.41 0.00 0.00 54.97 55.86 3ij2 s GLU 101 Cb -0.25 -1.78 -0.13 0.00 -1.78 0.00 0.00 34.13 30.18 3ij2 s GLU 101 CO 0.06 -2.32 -0.39 0.28 -0.49 0.00 0.00 175.26 172.40 3ij2 n VAL 102 N -4.00 0.16 -0.74 2.63 0.31 -1.24 0.15 118.33 115.60 3ij2 n VAL 102 Ca 0.10 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3ij2 n VAL 102 Cb 0.53 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 3ij2 n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ij2 n GLY 103 N 2.89 0.10 3.03 2.92 0.00 -1.24 -4.93 105.19 107.97 3ij2 n GLY 103 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3ij2 n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ij2 s SER 104 N -2.07 0.13 0.41 1.61 0.15 0.12 -1.76 113.70 112.30 3ij2 s SER 104 Ca 0.00 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.35 3ij2 s SER 104 Cb 0.00 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 3ij2 s SER 104 CO 0.00 -0.32 0.07 -0.83 1.20 0.00 0.00 173.24 173.36 3ij2 s GLY 105 N -1.34 2.58 0.39 9.45 0.00 -0.55 -4.28 107.32 113.56 3ij2 s GLY 105 Ca -0.15 -1.32 -0.23 0.00 0.00 0.00 0.00 44.72 43.02 3ij2 s GLY 105 CO 0.00 -1.95 0.97 -2.27 0.00 0.00 0.00 173.10 169.85 3ij2 s LEU 106 N -3.66 4.10 0.15 0.66 2.96 -0.64 -0.94 118.68 121.31 3ij2 s LEU 106 Ca 0.23 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 3ij2 s LEU 106 Cb 0.05 -4.31 0.00 0.00 0.50 0.00 0.00 46.19 42.42 3ij2 s LEU 106 CO 0.12 -0.30 0.00 0.52 -1.32 0.00 0.00 176.35 175.37 3ij2 n VAL 107 N -0.17 0.90 -4.84 1.68 0.31 0.14 -4.53 118.33 111.83 3ij2 n VAL 107 Ca 0.05 0.30 -0.31 0.00 -0.01 0.00 0.00 64.34 64.37 3ij2 n VAL 107 Cb 0.52 -1.29 -0.13 0.00 -0.91 0.00 0.00 33.84 32.02 3ij2 n VAL 107 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3ij2 s PHE 108 N -1.99 2.55 0.97 3.52 0.40 -1.12 -5.01 117.98 117.30 3ij2 s PHE 108 Ca 0.00 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 55.91 3ij2 s PHE 108 Cb 0.00 -1.51 0.22 0.00 0.51 0.00 0.00 43.02 42.23 3ij2 s PHE 108 CO 0.00 0.18 1.32 0.45 0.70 0.00 0.00 175.22 177.88 3ij2 s SER 109 N -1.10 2.97 -0.89 1.36 0.15 -1.26 -1.84 113.70 113.09 3ij2 s SER 109 Ca 0.13 0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.69 3ij2 s SER 109 Cb -0.10 -0.11 0.09 0.00 -1.71 0.00 0.00 66.02 64.19 3ij2 s SER 109 CO 0.03 -2.81 1.18 0.00 1.20 0.00 0.00 173.24 172.84 3ij2 n GLN 111 N 7.48 -0.15 -0.20 0.00 3.00 0.14 -4.89 117.38 122.76 3ij2 n GLN 111 Ca 0.20 -0.59 -0.01 0.00 -0.01 0.00 0.00 57.00 56.59 3ij2 n GLN 111 Cb 0.49 -0.32 0.10 0.00 0.00 0.00 0.00 30.24 30.51 3ij2 n GLN 111 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 3ij2 h ASP 112 N -0.39 0.28 -0.00 1.08 2.03 -1.95 -3.17 116.42 114.30 3ij2 h ASP 112 Ca -0.11 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 3ij2 h ASP 112 Cb 0.32 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3ij2 h ASP 112 CO 0.08 0.17 -0.19 2.29 -1.03 0.00 0.00 179.24 180.56 3ij2 n LYS 113 N -4.96 3.39 -3.97 4.15 -0.00 -1.26 0.10 118.16 115.61 3ij2 n LYS 113 Ca 0.08 -0.29 -0.34 0.00 -0.00 0.00 0.00 58.31 57.76 3ij2 n LYS 113 Cb 0.25 -0.89 -0.15 0.00 -0.00 0.00 0.00 35.03 34.24 3ij2 n LYS 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3ij2 s GLN 114 N -1.24 3.18 0.65 -1.58 2.00 -1.20 -4.69 119.66 116.78 3ij2 s GLN 114 Ca 0.04 -0.74 -0.14 0.00 -2.00 0.00 0.00 55.36 52.52 3ij2 s GLN 114 Cb 0.05 -2.89 -0.01 0.00 0.80 0.00 0.00 33.01 30.96 3ij2 s GLN 114 CO 0.19 -0.24 1.07 1.21 -0.50 0.00 0.00 175.29 177.02 3ij2 s ASN 115 N 1.40 5.46 0.27 6.67 2.47 -1.26 -0.68 114.94 129.28 3ij2 s ASN 115 Ca 0.05 1.79 -0.26 0.00 0.42 0.00 0.00 52.86 54.86 3ij2 s ASN 115 Cb -0.14 -2.52 -0.16 0.00 -1.45 0.00 0.00 41.25 36.97 3ij2 s ASN 115 CO -0.06 -1.38 0.42 0.41 -3.72 0.00 0.00 177.10 172.77 3ij2 n THR 116 N -2.50 1.61 -3.96 -5.21 -1.04 -1.26 -4.67 114.28 97.25 3ij2 n THR 116 Ca 0.09 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.29 3ij2 n THR 116 Cb 0.53 -0.07 -0.15 0.00 -1.82 0.00 0.00 70.33 68.81 3ij2 n THR 116 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ij2 s VAL 117 N -1.22 1.81 0.71 12.58 1.01 -0.77 -4.88 120.40 129.64 3ij2 s VAL 117 Ca 0.62 -1.73 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3ij2 s VAL 117 Cb -0.82 -2.18 0.13 0.00 0.00 0.00 0.00 36.38 33.51 3ij2 s VAL 117 CO 0.58 -0.37 0.97 0.00 0.00 0.00 0.00 175.10 176.29 3ij2 s GLU 119 N -5.06 0.48 -0.08 0.00 2.12 -0.12 -4.72 118.70 111.33 3ij2 s GLU 119 Ca 0.67 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 3ij2 s GLU 119 Cb -0.04 0.23 -0.05 0.00 0.26 0.00 0.00 34.13 34.53 3ij2 s GLU 119 CO 0.44 -0.07 1.56 -2.00 -0.54 0.00 0.00 175.26 174.65 3ij2 s GLU 120 N 0.02 4.20 -0.43 4.30 2.56 -1.26 -1.49 118.70 126.60 3ij2 s GLU 120 Ca -0.02 2.07 -0.38 0.00 0.00 0.00 0.00 54.97 56.64 3ij2 s GLU 120 Cb -0.03 -3.92 -0.15 0.00 2.00 0.00 0.00 34.13 32.03 3ij2 s GLU 120 CO 0.01 -0.81 2.19 0.00 -0.56 0.00 0.00 175.26 176.10 3ij2 n PRO 122 N 7.96 -2.93 -1.68 0.00 -0.04 -1.26 -4.78 135.00 132.27 3ij2 n PRO 122 Ca 0.47 -1.07 -0.46 0.00 -0.04 0.00 0.00 63.50 62.40 3ij2 n PRO 122 Cb 0.13 -1.12 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 3ij2 n PRO 122 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3ij2 n GLU 123 N -3.96 2.35 -0.25 0.54 4.07 -1.26 -2.43 120.64 119.71 3ij2 n GLU 123 Ca 0.10 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 58.06 3ij2 n GLU 123 Cb 0.38 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 3ij2 n GLU 123 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ij2 n GLY 124 N 4.30 0.80 3.64 8.31 0.00 -1.26 -5.07 105.19 115.91 3ij2 n GLY 124 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3ij2 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ij2 s THR 125 N -2.15 0.82 0.08 2.61 -4.23 -1.02 -1.61 115.64 110.14 3ij2 s THR 125 Ca 0.00 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.25 3ij2 s THR 125 Cb 0.00 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.72 3ij2 s THR 125 CO 0.00 0.00 0.82 -0.72 -0.54 0.00 0.00 174.62 174.18 3ij2 s TYR 126 N -3.04 -0.35 -0.22 3.99 1.13 0.26 -4.30 117.35 114.82 3ij2 s TYR 126 Ca 0.13 0.15 0.01 0.00 -1.41 0.00 0.00 57.07 55.95 3ij2 s TYR 126 Cb 0.01 0.57 0.03 0.00 -1.10 0.00 0.00 41.96 41.48 3ij2 s TYR 126 CO 0.08 -0.71 -0.14 0.45 -2.51 0.00 0.00 175.55 172.73 3ij2 s SER 127 N -2.65 3.83 0.09 -0.18 0.15 -1.23 -2.16 113.70 111.55 3ij2 s SER 127 Ca 0.05 -0.92 -0.33 0.00 0.70 0.00 0.00 55.95 55.46 3ij2 s SER 127 Cb -0.01 -1.55 -0.14 0.00 -1.71 0.00 0.00 66.02 62.60 3ij2 s SER 127 CO -0.07 -0.09 1.60 0.44 1.20 0.00 0.00 173.24 176.32 3ij2 h ASP 128 N 7.91 -1.06 -3.23 5.45 3.32 -1.92 -3.33 116.42 123.57 3ij2 h ASP 128 Ca -0.35 0.09 -0.19 0.00 0.02 0.00 0.00 57.03 56.60 3ij2 h ASP 128 Cb 1.10 0.35 -0.04 0.00 0.22 0.00 0.00 39.33 40.96 3ij2 h ASP 128 CO 0.57 -0.55 -0.17 -0.62 -1.72 0.00 0.00 179.24 176.75 3ij2 n GLU 129 N -5.50 0.59 -3.99 3.56 4.71 -1.26 -4.86 120.64 113.90 3ij2 n GLU 129 Ca -0.11 -1.21 -0.34 0.00 -0.01 0.00 0.00 57.16 55.49 3ij2 n GLU 129 Cb 0.39 0.77 -0.14 0.00 -1.01 0.00 0.00 31.44 31.45 3ij2 n GLU 129 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ij2 s ALA 130 N -2.42 2.68 0.31 0.62 0.00 -1.25 -3.59 121.76 118.10 3ij2 s ALA 130 Ca 0.10 -1.70 -0.19 0.00 0.00 0.00 0.00 51.96 50.16 3ij2 s ALA 130 Cb 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.42 3ij2 s ALA 130 CO 0.07 -1.14 0.74 0.54 0.00 0.00 0.00 175.76 175.97 3ij2 s ASN 131 N 1.20 -0.18 -0.36 0.00 2.20 -1.07 -4.76 114.94 111.97 3ij2 s ASN 131 Ca -0.06 -0.77 0.08 0.00 -0.94 0.00 0.00 52.86 51.18 3ij2 s ASN 131 Cb -0.19 0.76 0.69 0.00 -2.00 0.00 0.00 41.25 40.51 3ij2 s ASN 131 CO -0.04 -1.45 1.80 0.00 -2.94 0.00 0.00 177.10 174.47 3ij2 n HIS 132 N -0.48 2.46 0.00 1.54 1.44 -1.26 -0.63 115.22 118.29 3ij2 n HIS 132 Ca -0.05 -1.44 0.00 0.00 -2.01 0.00 0.00 57.72 54.21 3ij2 n HIS 132 Cb 0.59 -0.74 0.00 0.00 0.12 0.00 0.00 29.99 29.96 3ij2 n HIS 132 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3ij2 n VAL 133 N -0.60 0.00 -3.05 0.61 0.24 -1.26 -4.74 118.33 109.53 3ij2 n VAL 133 Ca 0.46 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.39 3ij2 n VAL 133 Cb 1.43 -0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 32.92 3ij2 n VAL 133 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3ij2 s ASP 134 N -4.32 7.16 0.13 -1.34 1.11 -1.26 -4.88 116.67 113.26 3ij2 s ASP 134 Ca 0.00 1.51 0.02 0.00 0.18 0.00 0.00 52.55 54.26 3ij2 s ASP 134 Cb 0.00 -2.45 0.02 0.00 1.07 0.00 0.00 42.92 41.56 3ij2 s ASP 134 CO 0.00 0.07 0.18 -0.81 1.18 0.00 0.00 175.17 175.79 3ij2 n PRO 135 N 0.94 0.93 -2.58 8.23 -0.04 -1.26 -1.62 135.00 139.61 3ij2 n PRO 135 Ca -0.03 -0.71 -0.41 0.00 -0.04 0.00 0.00 63.50 62.30 3ij2 n PRO 135 Cb 0.50 -0.05 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 3ij2 n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ij2 s LEU 137 N 0.39 4.04 0.52 0.00 1.43 -0.92 -4.82 118.68 119.32 3ij2 s LEU 137 Ca 0.52 0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 3ij2 s LEU 137 Cb -0.26 -2.65 -0.07 0.00 0.03 0.00 0.00 46.19 43.23 3ij2 s LEU 137 CO 0.31 0.09 1.07 -2.16 0.23 0.00 0.00 176.35 175.90 3ij2 s PRO 138 N -2.94 3.58 0.13 1.29 0.04 -1.26 -0.57 135.00 135.27 3ij2 s PRO 138 Ca 0.32 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 3ij2 s PRO 138 Cb -0.11 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 3ij2 s PRO 138 CO 0.25 -0.63 0.61 0.00 0.04 0.00 0.00 177.00 177.28 3ij2 n THR 140 N 1.23 0.93 -0.26 0.00 -1.04 -1.26 -4.97 114.28 108.91 3ij2 n THR 140 Ca -0.07 -0.23 0.01 0.00 -2.04 0.00 0.00 64.05 61.72 3ij2 n THR 140 Cb 0.51 -0.82 0.01 0.00 -1.82 0.00 0.00 70.33 68.20 3ij2 n THR 140 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3ij2 n VAL 141 N -3.29 0.88 -4.19 12.58 0.24 -1.26 -4.71 118.33 118.58 3ij2 n VAL 141 Ca 0.10 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 3ij2 n VAL 141 Cb 0.52 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 3ij2 n VAL 141 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ij2 n GLU 143 N 1.54 0.08 0.33 0.00 1.02 -1.26 -5.05 120.64 117.30 3ij2 n GLU 143 Ca 0.00 -0.19 -0.16 0.00 -0.02 0.00 0.00 57.16 56.79 3ij2 n GLU 143 Cb 0.00 0.27 -0.08 0.00 -0.02 0.00 0.00 31.44 31.60 3ij2 n GLU 143 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3ij2 h ASP 144 N 0.28 -0.70 -2.25 1.62 3.32 -2.03 -3.42 116.42 113.24 3ij2 h ASP 144 Ca -0.04 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.85 3ij2 h ASP 144 Cb 0.17 0.18 0.07 0.00 0.22 0.00 0.00 39.33 39.97 3ij2 h ASP 144 CO 0.05 -0.41 0.06 0.41 -1.72 0.00 0.00 179.24 177.62 3ij2 n THR 145 N -5.40 0.00 -2.90 0.35 -1.04 -1.26 -4.67 114.28 99.36 3ij2 n THR 145 Ca -0.13 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.05 61.60 3ij2 n THR 145 Cb 0.35 -1.19 0.01 0.00 -1.82 0.00 0.00 70.33 67.69 3ij2 n THR 145 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ij2 n GLU 146 N -2.62 -2.23 -1.65 -2.82 1.02 -1.25 -4.86 120.64 106.23 3ij2 n GLU 146 Ca 0.06 2.02 -0.45 0.00 -0.02 0.00 0.00 57.16 58.77 3ij2 n GLU 146 Cb 0.21 -5.58 -0.02 0.00 -0.02 0.00 0.00 31.44 26.03 3ij2 n GLU 146 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3ij2 n ARG 147 N -0.50 1.81 -2.51 3.49 0.63 -1.22 -4.27 116.66 114.09 3ij2 n ARG 147 Ca 0.10 0.64 -0.43 0.00 -0.92 0.00 0.00 57.85 57.24 3ij2 n ARG 147 Cb 0.47 -2.22 -0.02 0.00 0.45 0.00 0.00 32.46 31.14 3ij2 n ARG 147 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3ij2 s GLN 148 N -0.79 4.26 0.00 -0.14 0.74 -1.26 -4.02 119.66 118.45 3ij2 s GLN 148 Ca 0.66 1.56 0.00 0.00 0.05 0.00 0.00 55.36 57.63 3ij2 s GLN 148 Cb -0.68 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 29.73 3ij2 s GLN 148 CO 0.53 -0.64 0.00 1.28 -0.55 0.00 0.00 175.29 175.91 3ij2 n LEU 149 N 6.33 0.00 -4.73 3.68 4.77 -0.62 -4.94 117.00 121.49 3ij2 n LEU 149 Ca 0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.74 3ij2 n LEU 149 Cb 0.45 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 3ij2 n LEU 149 CO 0.54 -0.46 0.02 -0.60 -1.33 0.00 0.00 177.39 175.56 3ij2 s ARG 150 N -0.93 4.25 0.63 3.23 3.52 -1.21 -4.96 118.95 123.49 3ij2 s ARG 150 Ca 0.00 0.16 -0.08 0.00 -0.13 0.00 0.00 55.73 55.69 3ij2 s ARG 150 Cb 0.00 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 3ij2 s ARG 150 CO 0.00 0.24 0.97 -1.83 -0.81 0.00 0.00 175.30 173.87 3ij2 s GLU 151 N 0.44 2.85 -0.12 5.12 -1.05 -1.26 -1.47 118.70 123.22 3ij2 s GLU 151 Ca 0.18 0.13 -0.25 0.00 -0.15 0.00 0.00 54.97 54.88 3ij2 s GLU 151 Cb -0.13 -2.19 -0.02 0.00 -0.44 0.00 0.00 34.13 31.35 3ij2 s GLU 151 CO 0.05 -0.84 0.81 0.00 0.95 0.00 0.00 175.26 176.23 3ij2 s THR 153 N 1.59 3.43 -0.62 0.00 -4.23 -0.42 -4.96 115.64 110.45 3ij2 s THR 153 Ca 0.40 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 3ij2 s THR 153 Cb -0.17 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.05 3ij2 s THR 153 CO 0.16 0.09 0.48 -2.65 -0.54 0.00 0.00 174.62 172.16 3ij2 n PRO 154 N 0.63 0.00 0.00 3.99 -0.02 -1.26 -1.33 135.00 137.01 3ij2 n PRO 154 Ca -0.13 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3ij2 n PRO 154 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 3ij2 n PRO 154 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3ij2 n TRP 155 N -0.98 0.00 -3.77 6.00 2.14 -1.26 -3.57 117.44 116.01 3ij2 n TRP 155 Ca 0.00 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.44 3ij2 n TRP 155 Cb 0.15 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.54 3ij2 n TRP 155 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3ij2 s ALA 156 N -0.66 -0.68 1.04 -1.67 0.00 -0.44 -4.25 121.76 115.09 3ij2 s ALA 156 Ca 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 3ij2 s ALA 156 Cb 0.00 -0.50 0.14 0.00 0.00 0.00 0.00 23.12 22.76 3ij2 s ALA 156 CO 0.00 -0.15 0.65 -3.47 0.00 0.00 0.00 175.76 172.80 3ij2 n ASP 157 N 3.21 -1.45 -4.89 0.00 2.03 -1.26 -1.30 116.55 112.89 3ij2 n ASP 157 Ca -0.15 0.13 -0.29 0.00 0.52 0.00 0.00 54.79 54.99 3ij2 n ASP 157 Cb 0.57 -1.23 0.08 0.00 -0.72 0.00 0.00 41.12 39.82 3ij2 n ASP 157 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ij2 s ALA 158 N -2.42 2.65 -0.01 -1.67 0.00 -1.26 -4.64 121.76 114.41 3ij2 s ALA 158 Ca 0.62 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.05 3ij2 s ALA 158 Cb -0.21 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3ij2 s ALA 158 CO 0.64 -1.57 -0.04 -1.21 0.00 0.00 0.00 175.76 173.58 3ij2 s GLU 159 N -5.49 0.40 0.37 0.00 2.02 -0.54 -4.82 118.70 110.64 3ij2 s GLU 159 Ca 0.61 -0.14 -0.15 0.00 0.02 0.00 0.00 54.97 55.31 3ij2 s GLU 159 Cb -0.11 -0.40 0.04 0.00 0.10 0.00 0.00 34.13 33.76 3ij2 s GLU 159 CO 0.50 0.07 0.73 0.00 0.02 0.00 0.00 175.26 176.59