#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4t s THR 2 N 0.00 2.21 -1.52 0.00 -4.23 -0.13 -4.94 115.64 107.03 2i4t s THR 2 Ca 0.00 -0.22 0.11 0.00 -1.18 0.00 0.00 61.69 60.40 2i4t s THR 2 Cb 0.00 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 71.07 2i4t s THR 2 CO 0.00 0.00 1.23 -2.65 -0.54 0.00 0.00 174.62 172.66 2i4t n PRO 3 N -3.02 0.19 0.00 3.99 -0.02 -1.26 -2.81 135.00 132.06 2i4t n PRO 3 Ca 0.09 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2i4t n PRO 3 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 2i4t n PRO 3 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2i4t n HIS 4 N -1.24 0.00 -3.67 6.00 8.25 -1.26 -5.00 115.22 118.30 2i4t n HIS 4 Ca 0.06 -0.04 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 2i4t n HIS 4 Cb 0.08 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 2i4t n HIS 4 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2i4t s ASN 5 N -0.08 -0.61 0.00 0.41 3.04 -1.12 -4.72 114.94 111.86 2i4t s ASN 5 Ca 0.00 1.11 0.11 0.00 0.04 0.00 0.00 52.86 54.12 2i4t s ASN 5 Cb 0.00 1.17 -0.07 0.00 -1.54 0.00 0.00 41.25 40.80 2i4t s ASN 5 CO 0.00 -0.21 0.53 -1.54 -3.04 0.00 0.00 177.10 172.84 2i4t n SER 6 N 4.62 0.78 -3.09 -4.21 3.41 -1.26 -0.95 113.62 112.92 2i4t n SER 6 Ca -0.18 -0.89 -0.11 0.00 -0.26 0.00 0.00 58.87 57.42 2i4t n SER 6 Cb 0.54 0.81 0.11 0.00 -0.26 0.00 0.00 64.21 65.41 2i4t n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i4t n ALA 7 N -0.88 -1.97 -3.13 7.33 0.00 -1.24 -3.92 120.51 116.70 2i4t n ALA 7 Ca 0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 2i4t n ALA 7 Cb 0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.48 2i4t n ALA 7 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2i4t s GLN 8 N -3.72 0.40 -0.11 0.00 -2.07 -1.26 -3.02 119.66 109.89 2i4t s GLN 8 Ca 0.25 -0.03 -0.18 0.00 -1.82 0.00 0.00 55.36 53.58 2i4t s GLN 8 Cb -0.04 0.18 -0.08 0.00 -1.09 0.00 0.00 33.01 31.97 2i4t s GLN 8 CO 0.21 -0.09 0.56 0.28 -1.32 0.00 0.00 175.29 174.93 2i4t n VAL 9 N 2.15 0.00 0.00 3.63 0.31 -1.26 0.67 118.33 123.82 2i4t n VAL 9 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2i4t n VAL 9 Cb 0.57 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2i4t n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i4t n GLY 10 N 1.17 3.16 0.37 2.92 0.00 -1.26 -4.90 105.19 106.64 2i4t n GLY 10 Ca 0.11 -0.91 0.10 0.00 0.00 0.00 0.00 46.02 45.31 2i4t n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i4t h ASP 11 N 0.28 0.78 -3.07 1.61 3.45 -0.16 -3.40 116.42 115.91 2i4t h ASP 11 Ca 0.00 0.04 -0.60 0.00 0.43 0.00 0.00 57.03 56.90 2i4t h ASP 11 Cb 0.00 -0.11 -0.05 0.00 -0.56 0.00 0.00 39.33 38.61 2i4t h ASP 11 CO 0.00 0.41 -0.23 -0.36 -1.57 0.00 0.00 179.24 177.49 2i4t s PHE 12 N -5.81 3.64 0.52 4.55 0.08 -1.26 -4.65 117.98 115.05 2i4t s PHE 12 Ca -0.11 0.87 -0.09 0.00 0.12 0.00 0.00 56.93 57.73 2i4t s PHE 12 Cb 0.22 -2.21 0.13 0.00 -0.57 0.00 0.00 43.02 40.59 2i4t s PHE 12 CO 0.80 0.57 0.35 0.00 -0.10 0.00 0.00 175.22 176.83 2i4t n ALA 13 N 1.28 -1.77 0.51 5.36 0.00 -1.26 -4.95 120.51 119.68 2i4t n ALA 13 Ca -0.11 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 52.86 2i4t n ALA 13 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 2i4t n ALA 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i4t n GLU 14 N -3.24 0.32 -4.68 0.00 1.02 -1.26 -4.63 120.64 108.17 2i4t n GLU 14 Ca 0.05 -0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.85 2i4t n GLU 14 Cb 0.22 -1.59 -0.15 0.00 -0.02 0.00 0.00 31.44 29.90 2i4t n GLU 14 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2i4t s THR 15 N -3.23 2.68 -0.11 2.62 2.01 -1.26 -0.66 115.64 117.69 2i4t s THR 15 Ca 0.03 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2i4t s THR 15 Cb 0.14 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.54 2i4t s THR 15 CO 0.82 0.52 -0.20 -0.69 -0.69 0.00 0.00 174.62 174.38 2i4t s VAL 16 N 0.63 1.82 0.14 3.82 1.01 -0.04 -2.12 120.40 125.66 2i4t s VAL 16 Ca -0.09 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 2i4t s VAL 16 Cb -0.16 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 2i4t s VAL 16 CO 0.03 0.51 0.64 -0.76 0.00 0.00 0.00 175.10 175.51 2i4t s LEU 17 N 0.63 4.46 0.03 3.92 1.43 0.17 -1.57 118.68 127.76 2i4t s LEU 17 Ca -0.13 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2i4t s LEU 17 Cb -0.16 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 2i4t s LEU 17 CO 0.03 0.18 -0.07 -0.04 0.23 0.00 0.00 176.35 176.68 2i4t s MET 18 N -1.47 0.49 0.19 1.70 -1.94 -0.29 -1.85 119.30 116.13 2i4t s MET 18 Ca 0.35 -0.56 -0.06 0.00 -1.71 0.00 0.00 55.69 53.70 2i4t s MET 18 Cb -0.19 -0.33 -0.02 0.00 2.01 0.00 0.00 34.83 36.30 2i4t s MET 18 CO 0.21 0.07 0.25 0.00 -0.01 0.00 0.00 175.02 175.54 2i4t h GLY 20 N 2.54 0.85 -6.93 0.00 0.00 -1.84 0.57 103.07 98.26 2i4t h GLY 20 Ca -0.32 -0.81 -0.59 0.00 0.00 0.00 0.00 47.33 45.62 2i4t h GLY 20 CO 0.48 0.73 0.71 -0.35 0.00 0.00 0.00 176.54 178.11 2i4t s ASP 21 N -6.55 6.48 0.56 0.19 -1.08 -1.26 -2.04 116.67 112.96 2i4t s ASP 21 Ca -0.12 0.07 0.27 0.00 -0.52 0.00 0.00 52.55 52.26 2i4t s ASP 21 Cb 0.10 -2.48 1.64 0.00 -1.46 0.00 0.00 42.92 40.72 2i4t s ASP 21 CO 0.84 -1.20 2.19 1.55 0.52 0.00 0.00 175.17 179.06 2i4t h PRO 22 N 9.24 0.00 0.00 4.34 0.13 -1.84 0.15 132.00 144.02 2i4t h PRO 22 Ca -0.24 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 2i4t h PRO 22 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2i4t h PRO 22 CO 1.09 0.04 -0.29 -0.07 -0.23 0.00 0.00 178.00 178.54 2i4t h LEU 23 N 0.00 0.00 0.00 1.56 3.38 -1.91 -0.26 115.31 118.07 2i4t h LEU 23 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2i4t h LEU 23 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2i4t h LEU 23 CO 0.01 0.29 -1.00 -0.09 0.09 0.00 0.00 178.44 177.73 2i4t h ARG 24 N 0.00 0.00 -0.76 1.13 2.43 -0.98 0.56 114.38 116.77 2i4t h ARG 24 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2i4t h ARG 24 Cb 0.72 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 2i4t h ARG 24 CO 0.04 0.98 0.47 0.00 -1.51 0.00 0.00 179.97 179.95 2i4t h ALA 25 N 1.01 0.97 -0.40 2.80 0.00 -0.63 -2.14 119.26 120.87 2i4t h ALA 25 Ca -0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2i4t h ALA 25 Cb 1.77 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2i4t h ALA 25 CO 0.13 0.42 -0.06 -0.22 0.00 0.00 0.00 179.25 179.52 2i4t h LYS 26 N 1.04 0.74 -0.99 0.00 3.64 -0.78 -1.13 116.57 119.08 2i4t h LYS 26 Ca 0.28 -0.27 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2i4t h LYS 26 Cb -0.06 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.63 2i4t h LYS 26 CO -0.05 0.87 0.63 1.25 -2.27 0.00 0.00 179.45 179.88 2i4t h LEU 27 N 0.56 0.96 -0.28 5.20 5.85 -0.76 -1.68 115.31 125.15 2i4t h LEU 27 Ca 0.10 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2i4t h LEU 27 Cb 0.57 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2i4t h LEU 27 CO 0.03 0.56 0.06 0.40 -0.34 0.00 0.00 178.44 179.14 2i4t h ILE 28 N 1.06 1.22 -0.48 4.05 2.04 -0.67 0.25 117.51 124.98 2i4t h ILE 28 Ca 0.47 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2i4t h ILE 28 Cb 0.36 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2i4t h ILE 28 CO -0.22 0.25 0.32 0.00 0.00 0.00 0.00 178.15 178.49 2i4t h ALA 29 N 0.88 1.69 0.16 1.87 0.00 -0.92 -1.86 119.26 121.08 2i4t h ALA 29 Ca 0.09 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 2i4t h ALA 29 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2i4t h ALA 29 CO 0.00 0.28 -1.72 0.93 0.00 0.00 0.00 179.25 178.75 2i4t h GLU 30 N 0.62 0.34 0.00 0.00 5.08 -1.00 -3.07 114.58 116.55 2i4t h GLU 30 Ca 0.18 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2i4t h GLU 30 Cb -0.03 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2i4t h GLU 30 CO -0.04 1.28 0.00 2.41 -1.00 0.00 0.00 179.01 181.66 2i4t n THR 31 N -3.66 0.28 -0.36 1.13 -1.04 0.84 -4.55 114.28 106.93 2i4t n THR 31 Ca -0.26 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2i4t n THR 31 Cb 1.03 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 2i4t n THR 31 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2i4t n TYR 32 N -1.43 0.00 -3.80 -1.42 4.02 -0.72 -5.06 117.16 108.75 2i4t n TYR 32 Ca 0.08 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.60 2i4t n TYR 32 Cb 0.26 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.45 2i4t n TYR 32 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2i4t s LEU 33 N 0.00 3.48 0.09 7.72 1.43 -1.16 -4.72 118.68 125.52 2i4t s LEU 33 Ca 0.00 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.31 2i4t s LEU 33 Cb 0.00 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 2i4t s LEU 33 CO 0.00 -0.10 1.64 -1.61 0.23 0.00 0.00 176.35 176.51 2i4t s GLU 34 N 1.53 4.20 -0.84 1.70 2.02 -0.27 -3.66 118.70 123.38 2i4t s GLU 34 Ca 0.04 2.35 -0.01 0.00 0.02 0.00 0.00 54.97 57.37 2i4t s GLU 34 Cb -0.16 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 2i4t s GLU 34 CO 0.01 -0.71 0.71 0.09 0.02 0.00 0.00 175.26 175.38 2i4t n ASN 35 N 5.25 -3.01 -4.68 -0.19 4.13 -1.26 -2.20 115.26 113.29 2i4t n ASN 35 Ca 0.15 -0.47 -0.42 0.00 1.68 0.00 0.00 54.58 55.52 2i4t n ASN 35 Cb 0.40 -3.88 -0.03 0.00 -1.54 0.00 0.00 39.78 34.73 2i4t n ASN 35 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 2i4t s PRO 36 N -4.70 4.20 -0.14 3.52 0.02 -1.24 -4.50 135.00 132.16 2i4t s PRO 36 Ca 0.10 2.28 -0.06 0.00 0.02 0.00 0.00 61.00 63.34 2i4t s PRO 36 Cb -0.01 -3.74 -0.04 0.00 0.02 0.00 0.00 34.50 30.73 2i4t s PRO 36 CO 0.53 -0.76 0.08 0.21 -0.33 0.00 0.00 177.00 176.73 2i4t s LYS 37 N 3.11 3.58 -0.44 5.54 2.20 0.13 -4.94 119.74 128.91 2i4t s LYS 37 Ca 0.74 -0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 55.80 2i4t s LYS 37 Cb -0.38 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 2i4t s LYS 37 CO 0.32 0.56 1.68 -1.17 -0.36 0.00 0.00 175.35 176.37 2i4t s LEU 38 N -0.42 3.46 0.05 5.43 2.96 -1.26 -1.30 118.68 127.59 2i4t s LEU 38 Ca 0.10 0.85 0.18 0.00 -0.22 0.00 0.00 54.13 55.04 2i4t s LEU 38 Cb -0.12 -3.24 -0.14 0.00 0.50 0.00 0.00 46.19 43.19 2i4t s LEU 38 CO 0.02 -1.80 0.77 1.33 -1.32 0.00 0.00 176.35 175.34 2i4t n VAL 39 N 7.22 1.06 -3.67 1.68 0.24 0.14 -4.95 118.33 120.06 2i4t n VAL 39 Ca 0.20 -0.68 -0.08 0.00 -2.04 0.00 0.00 64.34 61.74 2i4t n VAL 39 Cb 0.49 -0.63 -0.09 0.00 -1.47 0.00 0.00 33.84 32.14 2i4t n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2i4t s ASN 40 N -5.62 -0.51 -0.00 -1.34 2.47 -0.66 -3.70 114.94 105.57 2i4t s ASN 40 Ca -0.04 1.09 0.21 0.00 0.42 0.00 0.00 52.86 54.54 2i4t s ASN 40 Cb 0.09 1.28 0.35 0.00 -1.45 0.00 0.00 41.25 41.52 2i4t s ASN 40 CO 0.82 -0.22 1.14 -3.20 -3.72 0.00 0.00 177.10 171.92 2i4t n ASN 41 N 4.93 0.83 -4.75 -4.21 4.05 -1.26 0.90 115.26 115.74 2i4t n ASN 41 Ca -0.15 -2.02 -0.42 0.00 0.45 0.00 0.00 54.58 52.45 2i4t n ASN 41 Cb 0.52 -0.28 -0.00 0.00 1.23 0.00 0.00 39.78 41.25 2i4t n ASN 41 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 2i4t n VAL 42 N 0.39 2.02 -1.05 3.44 0.31 -1.26 -2.37 118.33 119.80 2i4t n VAL 42 Ca 0.05 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 63.81 2i4t n VAL 42 Cb 1.06 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 2i4t n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2i4t n ARG 43 N 0.46 -1.70 -2.47 5.55 1.74 -1.26 -2.28 116.66 116.70 2i4t n ARG 43 Ca 0.03 0.61 -0.13 0.00 -0.77 0.00 0.00 57.85 57.59 2i4t n ARG 43 Cb 0.38 -4.71 0.01 0.00 -1.02 0.00 0.00 32.46 27.11 2i4t n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i4t n GLY 44 N 0.27 -0.07 0.03 -0.13 0.00 -1.00 -4.89 105.19 99.41 2i4t n GLY 44 Ca -0.07 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.78 2i4t n GLY 44 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2i4t n ILE 45 N -3.99 0.00 -3.30 -0.61 0.13 -0.97 -4.81 119.36 105.81 2i4t n ILE 45 Ca -0.10 -0.02 -0.13 0.00 -1.10 0.00 0.00 62.75 61.40 2i4t n ILE 45 Cb 0.59 -0.33 0.03 0.00 -0.84 0.00 0.00 39.64 39.09 2i4t n ILE 45 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2i4t n GLN 46 N -1.25 -1.62 -3.66 9.51 1.13 -1.22 -1.16 117.38 119.10 2i4t n GLN 46 Ca 0.12 1.04 -0.36 0.00 -1.94 0.00 0.00 57.00 55.86 2i4t n GLN 46 Cb 0.28 -5.18 -0.07 0.00 0.11 0.00 0.00 30.24 25.38 2i4t n GLN 46 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2i4t s GLY 47 N -3.21 2.14 -0.00 1.08 0.00 0.26 -3.83 107.32 103.75 2i4t s GLY 47 Ca 0.24 -0.57 0.03 0.00 0.00 0.00 0.00 44.72 44.41 2i4t s GLY 47 CO 0.78 0.18 -0.09 -0.19 0.00 0.00 0.00 173.10 173.79 2i4t s TYR 48 N 0.15 0.78 -0.17 1.90 1.51 0.78 0.26 117.35 122.55 2i4t s TYR 48 Ca 0.13 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.99 2i4t s TYR 48 Cb -0.12 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 2i4t s TYR 48 CO 0.02 -0.01 -0.08 0.99 -1.11 0.00 0.00 175.55 175.36 2i4t s THR 49 N -0.29 3.35 0.00 -0.71 2.01 -0.42 -0.47 115.64 119.11 2i4t s THR 49 Ca 0.03 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2i4t s THR 49 Cb -0.04 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 70.00 2i4t s THR 49 CO -0.00 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 2i4t n GLY 50 N 4.06 4.73 3.49 4.40 0.00 -0.69 0.21 105.19 121.40 2i4t n GLY 50 Ca -0.18 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 2i4t n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i4t s THR 51 N 3.90 0.01 -0.02 2.61 -4.23 -0.94 -3.18 115.64 113.79 2i4t s THR 51 Ca 0.00 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 2i4t s THR 51 Cb 0.00 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.89 2i4t s THR 51 CO 0.00 -0.02 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.57 2i4t s TYR 52 N -1.26 0.30 -0.59 3.99 6.14 -0.04 -1.11 117.35 124.77 2i4t s TYR 52 Ca -0.11 -0.03 -0.01 0.00 0.64 0.00 0.00 57.07 57.56 2i4t s TYR 52 Cb -0.00 -0.29 0.01 0.00 0.42 0.00 0.00 41.96 42.10 2i4t s TYR 52 CO 0.09 -0.06 0.02 1.63 0.64 0.00 0.00 175.55 177.86 2i4t n LYS 53 N 3.52 -0.97 -0.87 4.97 5.02 -1.26 0.20 118.16 128.77 2i4t n LYS 53 Ca -0.19 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2i4t n LYS 53 Cb 0.55 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 2i4t n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i4t n GLY 54 N -1.53 0.87 3.60 0.72 0.00 -1.26 -5.01 105.19 102.58 2i4t n GLY 54 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2i4t n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4t s LYS 55 N -0.13 2.74 0.27 1.61 -0.14 0.13 -5.08 119.74 119.14 2i4t s LYS 55 Ca 0.00 -0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 53.75 2i4t s LYS 55 Cb 0.00 -2.60 -0.10 0.00 -1.68 0.00 0.00 37.83 33.45 2i4t s LYS 55 CO 0.00 0.66 1.43 -1.25 -0.76 0.00 0.00 175.35 175.43 2i4t s PRO 56 N -0.95 4.26 0.05 -1.68 0.05 -1.26 -0.86 135.00 134.61 2i4t s PRO 56 Ca 0.14 2.32 -0.02 0.00 0.05 0.00 0.00 61.00 63.49 2i4t s PRO 56 Cb -0.11 -3.09 -0.03 0.00 0.05 0.00 0.00 34.50 31.32 2i4t s PRO 56 CO 0.03 -0.40 0.00 0.42 0.05 0.00 0.00 177.00 177.10 2i4t s ILE 57 N -0.28 0.19 0.14 0.56 -1.09 -1.19 -4.62 121.20 114.90 2i4t s ILE 57 Ca 0.57 -1.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.46 2i4t s ILE 57 Cb -0.42 -1.26 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 2i4t s ILE 57 CO 0.47 -0.85 -0.00 -0.44 -1.23 0.00 0.00 174.94 172.88 2i4t s SER 58 N -2.62 0.92 -0.11 3.58 0.01 -0.90 -1.71 113.70 112.87 2i4t s SER 58 Ca 0.02 -1.13 -0.18 0.00 1.31 0.00 0.00 55.95 55.97 2i4t s SER 58 Cb 0.04 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.48 2i4t s SER 58 CO -0.08 -0.59 0.46 0.54 0.41 0.00 0.00 173.24 173.98 2i4t s VAL 59 N -3.77 0.02 -0.01 3.43 0.11 0.38 -0.65 120.40 119.91 2i4t s VAL 59 Ca 0.20 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 2i4t s VAL 59 Cb 0.06 -0.70 0.08 0.00 -1.53 0.00 0.00 36.38 34.29 2i4t s VAL 59 CO 0.00 -0.08 0.71 -0.32 -3.33 0.00 0.00 175.10 172.09 2i4t s MET 60 N -0.46 1.04 0.59 1.54 0.00 -0.77 -0.16 119.30 121.07 2i4t s MET 60 Ca -0.06 0.04 -0.15 0.00 0.00 0.00 0.00 55.69 55.52 2i4t s MET 60 Cb -0.03 0.49 -0.04 0.00 0.00 0.00 0.00 34.83 35.24 2i4t s MET 60 CO 0.03 -0.37 1.03 0.20 0.00 0.00 0.00 175.02 175.92 2i4t s GLY 61 N -1.63 2.00 0.00 2.11 0.00 -0.31 -2.16 107.32 107.33 2i4t s GLY 61 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2i4t s GLY 61 CO 0.02 0.54 0.42 -2.39 0.00 0.00 0.00 173.10 171.69 2i4t n HIS 62 N -2.11 0.00 0.00 1.90 1.44 0.20 -4.81 115.22 111.84 2i4t n HIS 62 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 2i4t n HIS 62 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 2i4t n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2i4t n GLY 63 N 0.01 -1.57 3.83 -1.39 0.00 -0.87 -3.34 105.19 101.87 2i4t n GLY 63 Ca 0.00 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 2i4t n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2i4t s MET 64 N -1.91 3.74 0.00 1.61 1.00 -1.26 -4.42 119.30 118.06 2i4t s MET 64 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 55.69 55.66 2i4t s MET 64 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 34.83 31.57 2i4t s MET 64 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 175.02 176.06 2i4t n GLY 65 N 2.36 1.33 0.16 -0.03 0.00 -1.23 -4.60 105.19 103.17 2i4t n GLY 65 Ca -0.17 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 43.99 2i4t n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i4t h LEU 66 N 0.00 0.16 -1.43 0.99 4.07 -1.76 -2.45 115.31 114.89 2i4t h LEU 66 Ca 0.00 0.04 0.14 0.00 0.08 0.00 0.00 57.88 58.14 2i4t h LEU 66 Cb 0.00 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 41.70 2i4t h LEU 66 CO 0.00 0.13 0.53 -0.65 -1.08 0.00 0.00 178.44 177.37 2i4t h PRO 67 N 0.29 0.55 0.04 1.13 0.11 -1.91 -1.42 132.00 130.81 2i4t h PRO 67 Ca 0.17 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2i4t h PRO 67 Cb 0.13 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2i4t h PRO 67 CO -0.16 0.37 -0.02 1.03 -0.21 0.00 0.00 178.00 179.00 2i4t h SER 68 N 0.57 -0.05 -0.30 -2.05 0.87 -1.70 -2.74 113.55 108.15 2i4t h SER 68 Ca 0.40 -0.49 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 2i4t h SER 68 Cb 0.74 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2i4t h SER 68 CO -0.16 0.66 0.21 -0.29 -0.53 0.00 0.00 176.83 176.72 2i4t h ILE 69 N -0.96 0.91 -0.33 2.23 2.10 -1.29 -0.58 117.51 119.59 2i4t h ILE 69 Ca -0.01 -0.04 0.05 0.00 1.08 0.00 0.00 64.86 65.94 2i4t h ILE 69 Cb 0.54 0.78 -0.05 0.00 -1.09 0.00 0.00 36.82 37.00 2i4t h ILE 69 CO 0.01 0.02 0.05 0.00 -1.08 0.00 0.00 178.15 177.15 2i4t h ILE 71 N 0.16 0.81 -0.17 0.00 2.04 -0.82 -2.49 117.51 117.03 2i4t h ILE 71 Ca 0.16 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.89 2i4t h ILE 71 Cb 0.18 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2i4t h ILE 71 CO -0.22 0.00 -0.37 1.88 0.00 0.00 0.00 178.15 179.44 2i4t h TYR 72 N -0.24 0.71 -0.98 1.37 0.05 -0.98 -2.89 116.97 114.01 2i4t h TYR 72 Ca -0.02 -0.26 0.04 0.00 0.05 0.00 0.00 58.73 58.54 2i4t h TYR 72 Cb 0.19 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.75 2i4t h TYR 72 CO -0.08 1.00 0.64 0.00 -1.05 0.00 0.00 178.16 178.68 2i4t h ALA 73 N 0.58 1.37 -0.40 3.88 0.00 -0.46 -0.01 119.26 124.22 2i4t h ALA 73 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2i4t h ALA 73 Cb 0.97 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2i4t h ALA 73 CO 0.08 0.53 -0.35 1.49 0.00 0.00 0.00 179.25 181.00 2i4t h GLU 74 N 1.23 0.92 -0.40 0.00 4.81 -1.46 -1.99 114.58 117.69 2i4t h GLU 74 Ca 0.39 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2i4t h GLU 74 Cb 0.01 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2i4t h GLU 74 CO -0.12 1.12 0.14 0.93 -0.73 0.00 0.00 179.01 180.35 2i4t h GLU 75 N 0.76 0.61 -0.63 1.92 5.08 -1.24 -0.04 114.58 121.04 2i4t h GLU 75 Ca 0.07 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2i4t h GLU 75 Cb 0.94 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 2i4t h GLU 75 CO 0.09 0.59 0.39 -0.07 -1.00 0.00 0.00 179.01 179.01 2i4t h LEU 76 N 0.50 0.62 -0.01 1.33 3.38 -0.84 -0.32 115.31 119.97 2i4t h LEU 76 Ca 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.84 2i4t h LEU 76 Cb 0.22 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.86 2i4t h LEU 76 CO -0.01 0.43 -1.06 1.88 0.09 0.00 0.00 178.44 179.77 2i4t h TYR 77 N 0.75 0.96 0.00 1.13 0.05 -1.28 -0.39 116.97 118.19 2i4t h TYR 77 Ca 0.26 -0.54 -0.01 0.00 0.05 0.00 0.00 58.73 58.49 2i4t h TYR 77 Cb 0.04 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 2i4t h TYR 77 CO -0.05 1.37 -0.16 1.03 -1.05 0.00 0.00 178.16 179.29 2i4t h SER 78 N 0.34 0.00 0.20 3.88 0.87 -0.82 -3.26 113.55 114.76 2i4t h SER 78 Ca -0.13 -0.16 -0.32 0.00 -1.23 0.00 0.00 61.79 59.95 2i4t h SER 78 Cb 1.72 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.70 2i4t h SER 78 CO 0.20 0.67 -1.51 0.74 -0.53 0.00 0.00 176.83 176.40 2i4t h THR 79 N -1.00 1.13 -0.53 2.23 2.02 -1.25 -3.36 112.91 112.15 2i4t h THR 79 Ca -0.02 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.60 2i4t h THR 79 Cb 0.31 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2i4t h THR 79 CO -0.01 0.81 0.00 -1.22 0.37 0.00 0.00 175.52 175.47 2i4t n TYR 80 N -3.74 0.71 -2.23 3.16 4.02 -0.90 -4.62 117.16 113.56 2i4t n TYR 80 Ca -0.21 -0.35 -0.10 0.00 -0.01 0.00 0.00 57.90 57.23 2i4t n TYR 80 Cb 1.04 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.35 2i4t n TYR 80 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2i4t n LYS 81 N 1.17 -2.16 -1.35 -0.72 4.76 -0.76 -4.66 118.16 114.44 2i4t n LYS 81 Ca 0.19 0.49 -0.35 0.00 -2.87 0.00 0.00 58.31 55.77 2i4t n LYS 81 Cb 0.49 -4.99 0.10 0.00 -1.84 0.00 0.00 35.03 28.78 2i4t n LYS 81 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2i4t n VAL 82 N -2.90 2.98 -0.03 -0.18 0.31 -0.23 -4.91 118.33 113.37 2i4t n VAL 82 Ca -0.11 -0.35 -0.02 0.00 -0.01 0.00 0.00 64.34 63.85 2i4t n VAL 82 Cb 0.54 -1.20 -0.06 0.00 -0.91 0.00 0.00 33.84 32.21 2i4t n VAL 82 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2i4t n LYS 83 N -2.25 2.10 -3.74 5.55 3.00 0.16 -4.65 118.16 118.34 2i4t n LYS 83 Ca 0.14 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.30 2i4t n LYS 83 Cb 0.49 -1.20 -0.13 0.00 0.00 0.00 0.00 35.03 34.20 2i4t n LYS 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2i4t s THR 84 N -2.29 -0.03 -0.13 3.15 2.01 -0.48 -1.77 115.64 116.10 2i4t s THR 84 Ca -0.04 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.09 2i4t s THR 84 Cb 0.03 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.16 2i4t s THR 84 CO 0.32 0.05 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.49 2i4t s ILE 85 N 1.02 1.74 -0.10 1.82 1.01 -1.00 -0.86 121.20 124.83 2i4t s ILE 85 Ca -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2i4t s ILE 85 Cb -0.08 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 2i4t s ILE 85 CO -0.07 0.49 -0.14 -0.63 0.00 0.00 0.00 174.94 174.59 2i4t s ILE 86 N 1.06 2.97 -0.17 2.92 1.01 -0.61 -1.39 121.20 127.00 2i4t s ILE 86 Ca -0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 2i4t s ILE 86 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2i4t s ILE 86 CO -0.05 0.55 0.04 -0.60 0.00 0.00 0.00 174.94 174.88 2i4t s ARG 87 N -0.02 3.87 -0.26 2.79 3.52 -0.27 -1.13 118.95 127.45 2i4t s ARG 87 Ca -0.04 -0.38 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2i4t s ARG 87 Cb -0.14 -3.13 0.08 0.00 -1.56 0.00 0.00 34.95 30.19 2i4t s ARG 87 CO 0.04 0.30 0.03 0.54 -0.81 0.00 0.00 175.30 175.40 2i4t s VAL 88 N 0.28 1.03 0.00 7.11 0.11 -0.07 -0.24 120.40 128.62 2i4t s VAL 88 Ca 0.02 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 2i4t s VAL 88 Cb -0.13 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.15 2i4t s VAL 88 CO 0.01 -0.37 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 2i4t n GLY 89 N 4.83 5.14 3.24 6.54 0.00 -0.78 -4.33 105.19 119.81 2i4t n GLY 89 Ca -0.06 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 2i4t n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i4t s THR 90 N 1.38 1.15 0.30 2.61 -4.23 -1.26 -1.60 115.64 113.99 2i4t s THR 90 Ca 0.00 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 2i4t s THR 90 Cb 0.00 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 2i4t s THR 90 CO 0.00 -0.69 0.31 0.00 -0.54 0.00 0.00 174.62 173.70 2i4t n GLY 92 N -0.53 0.41 3.64 0.00 0.00 -1.22 0.28 105.19 107.78 2i4t n GLY 92 Ca 0.04 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.47 2i4t n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4t n ALA 93 N 0.00 -1.54 0.00 4.61 0.00 -1.07 0.25 120.51 122.77 2i4t n ALA 93 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2i4t n ALA 93 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2i4t n ALA 93 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2i4t n ILE 94 N 3.19 0.00 -1.71 0.00 2.08 -0.64 -0.42 119.36 121.86 2i4t n ILE 94 Ca 0.24 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 63.12 2i4t n ILE 94 Cb 0.08 -1.21 -0.02 0.00 -0.75 0.00 0.00 39.64 37.75 2i4t n ILE 94 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2i4t n ASP 95 N -2.85 3.33 0.25 4.38 2.03 -0.98 -4.80 116.55 117.91 2i4t n ASP 95 Ca 0.00 1.16 0.13 0.00 0.52 0.00 0.00 54.79 56.60 2i4t n ASP 95 Cb 0.37 -1.52 0.59 0.00 -0.72 0.00 0.00 41.12 39.84 2i4t n ASP 95 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2i4t h MET 96 N 4.22 0.00 -0.76 -0.67 4.05 -1.93 -2.80 114.93 117.03 2i4t h MET 96 Ca -0.46 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 58.89 2i4t h MET 96 Cb 1.25 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.01 2i4t h MET 96 CO 0.75 0.12 0.08 -0.25 0.23 0.00 0.00 176.91 177.84 2i4t n ASP 97 N -3.28 4.18 -4.28 1.39 8.00 -1.26 -4.85 116.55 116.45 2i4t n ASP 97 Ca 0.00 -2.73 -0.27 0.00 0.71 0.00 0.00 54.79 52.49 2i4t n ASP 97 Cb 0.36 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.66 2i4t n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2i4t s ILE 98 N -2.24 1.81 0.14 0.53 1.01 -1.06 -5.13 121.20 116.26 2i4t s ILE 98 Ca 0.38 -1.20 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2i4t s ILE 98 Cb 0.30 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2i4t s ILE 98 CO 0.10 0.30 0.11 -1.00 0.00 0.00 0.00 174.94 174.46 2i4t s HIS 99 N -0.75 0.77 0.52 3.97 3.76 -1.26 -4.88 115.29 117.42 2i4t s HIS 99 Ca 0.09 -1.14 -0.21 0.00 -0.15 0.00 0.00 55.06 53.65 2i4t s HIS 99 Cb -0.09 -0.39 -0.08 0.00 1.11 0.00 0.00 32.58 33.12 2i4t s HIS 99 CO 0.01 -0.57 0.84 0.25 -0.85 0.00 0.00 174.74 174.42 2i4t n THR 100 N -0.12 2.78 0.00 1.30 -2.24 -1.26 -1.19 114.28 113.54 2i4t n THR 100 Ca -0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2i4t n THR 100 Cb 0.64 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2i4t n THR 100 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2i4t n ARG 101 N -0.27 0.00 -1.07 -0.78 1.74 0.36 -4.91 116.66 111.73 2i4t n ARG 101 Ca 0.12 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.87 2i4t n ARG 101 Cb 0.44 -2.35 0.13 0.00 -1.02 0.00 0.00 32.46 29.67 2i4t n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2i4t s ASP 102 N -2.66 3.55 -0.03 0.55 1.01 -0.33 -4.65 116.67 114.10 2i4t s ASP 102 Ca 0.00 2.31 0.05 0.00 0.71 0.00 0.00 52.55 55.62 2i4t s ASP 102 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 2i4t s ASP 102 CO 0.00 -2.69 -0.17 -0.63 0.21 0.00 0.00 175.17 171.89 2i4t s ILE 103 N -2.25 2.86 -0.04 0.77 1.01 -1.26 -0.99 121.20 121.30 2i4t s ILE 103 Ca 0.72 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 2i4t s ILE 103 Cb -0.27 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.12 2i4t s ILE 103 CO 0.51 0.56 0.00 -0.69 0.00 0.00 0.00 174.94 175.33 2i4t s VAL 104 N -0.73 0.21 -0.23 2.92 1.01 -0.35 -1.27 120.40 121.95 2i4t s VAL 104 Ca 0.12 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 2i4t s VAL 104 Cb -0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 2i4t s VAL 104 CO 0.01 0.18 -0.04 -0.63 0.00 0.00 0.00 175.10 174.62 2i4t s ILE 105 N 1.32 3.33 -0.11 2.22 1.01 0.22 -1.25 121.20 127.94 2i4t s ILE 105 Ca -0.06 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 2i4t s ILE 105 Cb -0.13 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2i4t s ILE 105 CO -0.02 0.36 0.80 -0.36 0.00 0.00 0.00 174.94 175.71 2i4t s PHE 106 N 1.46 3.51 0.08 3.97 0.08 -0.82 -1.09 117.98 125.16 2i4t s PHE 106 Ca 0.05 1.31 -0.04 0.00 0.12 0.00 0.00 56.93 58.36 2i4t s PHE 106 Cb -0.15 -2.94 -0.28 0.00 -0.57 0.00 0.00 43.02 39.08 2i4t s PHE 106 CO -0.03 -0.08 1.14 1.79 -0.10 0.00 0.00 175.22 177.95 2i4t h THR 107 N 4.97 1.50 -2.70 0.64 1.35 0.66 -3.40 112.91 115.93 2i4t h THR 107 Ca -0.36 -3.06 0.10 0.00 -0.55 0.00 0.00 66.41 62.54 2i4t h THR 107 Cb 1.17 2.94 -0.02 0.00 -1.73 0.00 0.00 68.15 70.51 2i4t h THR 107 CO 0.79 0.89 0.48 -0.94 -0.25 0.00 0.00 175.52 176.49 2i4t s SER 108 N -7.15 0.01 -0.19 5.36 1.04 -1.25 0.39 113.70 111.91 2i4t s SER 108 Ca -0.04 -0.84 -0.10 0.00 0.48 0.00 0.00 55.95 55.45 2i4t s SER 108 Cb 0.07 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.88 2i4t s SER 108 CO 0.88 -1.24 0.44 0.00 0.98 0.00 0.00 173.24 174.30 2i4t s ALA 109 N -2.21 -1.15 1.06 5.32 0.00 0.05 -0.44 121.76 124.39 2i4t s ALA 109 Ca 0.20 1.62 -0.14 0.00 0.00 0.00 0.00 51.96 53.63 2i4t s ALA 109 Cb -0.04 -1.04 0.22 0.00 0.00 0.00 0.00 23.12 22.26 2i4t s ALA 109 CO 0.07 -0.35 1.10 0.20 0.00 0.00 0.00 175.76 176.78 2i4t s GLY 110 N 1.61 1.56 0.23 0.00 0.00 -0.69 -4.26 107.32 105.77 2i4t s GLY 110 Ca -0.08 -0.53 -0.22 0.00 0.00 0.00 0.00 44.72 43.89 2i4t s GLY 110 CO -0.14 0.17 0.68 -1.08 0.00 0.00 0.00 173.10 172.73 2i4t s THR 111 N -2.97 0.00 -0.11 0.90 -1.32 -1.26 -0.25 115.64 110.63 2i4t s THR 111 Ca 0.67 -0.58 0.17 0.00 -1.21 0.00 0.00 61.69 60.74 2i4t s THR 111 Cb -0.17 -1.58 0.25 0.00 -1.51 0.00 0.00 72.50 69.49 2i4t s THR 111 CO 0.57 0.00 1.13 -0.46 -2.21 0.00 0.00 174.62 173.65 2i4t n ASN 112 N -0.43 2.19 -4.84 8.08 2.04 -1.13 -4.96 115.26 116.22 2i4t n ASN 112 Ca -0.09 -2.95 -0.31 0.00 -0.44 0.00 0.00 54.58 50.79 2i4t n ASN 112 Cb 0.61 -0.39 0.02 0.00 -2.53 0.00 0.00 39.78 37.50 2i4t n ASN 112 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2i4t s SER 113 N -2.64 5.82 0.00 0.53 0.15 -1.26 -4.81 113.70 111.49 2i4t s SER 113 Ca 0.28 1.57 0.27 0.00 0.70 0.00 0.00 55.95 58.77 2i4t s SER 113 Cb 0.24 -2.49 1.01 0.00 -1.71 0.00 0.00 66.02 63.07 2i4t s SER 113 CO 0.03 -1.14 1.72 1.17 1.20 0.00 0.00 173.24 176.21 2i4t n LYS 114 N -2.73 1.68 0.22 5.44 4.81 -1.26 -4.60 118.16 121.72 2i4t n LYS 114 Ca 0.07 -0.99 -0.15 0.00 -0.87 0.00 0.00 58.31 56.37 2i4t n LYS 114 Cb 0.54 -1.47 -0.08 0.00 0.02 0.00 0.00 35.03 34.04 2i4t n LYS 114 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2i4t h ILE 115 N 2.34 0.64 -0.47 3.15 2.04 -1.98 0.39 117.51 123.62 2i4t h ILE 115 Ca 0.00 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2i4t h ILE 115 Cb 0.50 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2i4t h ILE 115 CO 0.00 0.03 0.16 0.78 0.00 0.00 0.00 178.15 179.12 2i4t h ASN 116 N -0.59 0.62 -0.91 1.72 -0.26 -1.92 0.77 115.58 115.00 2i4t h ASN 116 Ca -0.05 -0.08 0.02 0.00 -0.56 0.00 0.00 56.30 55.62 2i4t h ASN 116 Cb 0.44 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.49 2i4t h ASN 116 CO 0.09 0.58 0.60 0.03 -1.06 0.00 0.00 177.43 177.67 2i4t h ARG 117 N 0.67 1.18 -0.15 0.81 3.08 -1.50 -1.66 114.38 116.81 2i4t h ARG 117 Ca 0.16 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 2i4t h ARG 117 Cb 0.17 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2i4t h ARG 117 CO -0.01 0.78 -0.62 0.82 -1.07 0.00 0.00 179.97 179.87 2i4t h ILE 118 N 1.21 1.34 -0.31 2.04 2.04 0.11 0.34 117.51 124.28 2i4t h ILE 118 Ca 0.34 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2i4t h ILE 118 Cb -0.11 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2i4t h ILE 118 CO -0.08 0.59 0.00 -2.11 0.00 0.00 0.00 178.15 176.55 2i4t n ARG 119 N -3.92 2.02 -2.74 2.37 1.85 0.13 -4.28 116.66 112.08 2i4t n ARG 119 Ca -0.04 -1.23 -0.03 0.00 -1.00 0.00 0.00 57.85 55.55 2i4t n ARG 119 Cb 0.64 -1.41 0.08 0.00 -1.05 0.00 0.00 32.46 30.72 2i4t n ARG 119 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2i4t n PHE 120 N 0.41 -0.12 -1.93 2.89 -0.00 -0.67 -4.97 117.46 113.07 2i4t n PHE 120 Ca 0.11 -2.12 -0.18 0.00 -0.00 0.00 0.00 57.45 55.27 2i4t n PHE 120 Cb 0.38 0.46 -0.05 0.00 -0.00 0.00 0.00 39.48 40.27 2i4t n PHE 120 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 2i4t n MET 121 N -0.76 -1.61 -1.60 -4.13 2.81 -1.15 -1.55 117.12 109.13 2i4t n MET 121 Ca -0.01 0.97 -0.03 0.00 -1.81 0.00 0.00 57.70 56.82 2i4t n MET 121 Cb 0.83 -5.45 -0.01 0.00 -0.71 0.00 0.00 33.22 27.89 2i4t n MET 121 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2i4t n ASP 122 N -1.45 -2.48 -3.21 7.83 4.64 0.12 -5.03 116.55 116.96 2i4t n ASP 122 Ca -0.19 0.03 -0.10 0.00 -1.38 0.00 0.00 54.79 53.15 2i4t n ASP 122 Cb 0.62 -1.12 0.01 0.00 -1.04 0.00 0.00 41.12 39.59 2i4t n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 2i4t n HIS 123 N -3.49 -1.58 -2.95 -0.67 8.25 -0.59 -4.99 115.22 109.19 2i4t n HIS 123 Ca -0.03 -0.96 -0.43 0.00 -0.26 0.00 0.00 57.72 56.04 2i4t n HIS 123 Cb 0.32 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 2i4t n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2i4t s ASP 124 N -2.41 6.30 -0.04 0.41 1.11 -1.26 -4.44 116.67 116.33 2i4t s ASP 124 Ca 0.17 -0.56 -0.30 0.00 0.18 0.00 0.00 52.55 52.04 2i4t s ASP 124 Cb -0.01 -2.38 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 2i4t s ASP 124 CO 0.11 -1.11 1.03 -0.47 1.18 0.00 0.00 175.17 175.90 2i4t s TYR 125 N 3.48 3.55 -0.85 4.23 5.04 -1.26 -5.03 117.35 126.51 2i4t s TYR 125 Ca 0.25 1.59 -0.24 0.00 -2.44 0.00 0.00 57.07 56.23 2i4t s TYR 125 Cb -0.15 -3.19 0.05 0.00 0.35 0.00 0.00 41.96 39.02 2i4t s TYR 125 CO 0.16 -0.30 1.29 -1.25 -1.34 0.00 0.00 175.55 174.12 2i4t s PRO 126 N 1.50 3.36 -0.45 4.97 0.04 -1.26 -4.94 135.00 138.22 2i4t s PRO 126 Ca 0.51 -0.78 -0.27 0.00 0.04 0.00 0.00 61.00 60.50 2i4t s PRO 126 Cb -0.21 -4.68 -0.03 0.00 0.04 0.00 0.00 34.50 29.62 2i4t s PRO 126 CO 0.24 -2.09 1.93 0.00 0.04 0.00 0.00 177.00 177.12 2i4t s ALA 127 N 4.96 2.43 -0.14 8.56 0.00 -1.26 -4.92 121.76 131.38 2i4t s ALA 127 Ca 0.37 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2i4t s ALA 127 Cb -0.06 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2i4t s ALA 127 CO 0.03 -3.37 -0.19 0.99 0.00 0.00 0.00 175.76 173.22 2i4t s THR 128 N 8.54 2.33 0.50 0.00 2.01 -1.26 -0.77 115.64 126.99 2i4t s THR 128 Ca 0.79 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 61.66 2i4t s THR 128 Cb -0.19 -1.95 -0.07 0.00 0.01 0.00 0.00 72.50 70.31 2i4t s THR 128 CO 0.28 0.54 1.37 0.00 -0.69 0.00 0.00 174.62 176.11 2i4t n ALA 129 N 3.99 1.68 -1.68 7.40 0.00 0.16 -4.86 120.51 127.20 2i4t n ALA 129 Ca -0.19 0.18 -0.45 0.00 0.00 0.00 0.00 53.44 52.98 2i4t n ALA 129 Cb 0.52 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 2i4t n ALA 129 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2i4t n SER 130 N -0.58 3.42 -0.21 0.00 7.64 -0.50 -4.92 113.62 118.47 2i4t n SER 130 Ca 0.08 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2i4t n SER 130 Cb 0.43 -1.47 0.12 0.00 -1.01 0.00 0.00 64.21 62.27 2i4t n SER 130 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2i4t h PHE 131 N 6.44 0.46 -0.16 1.43 3.57 -1.92 -1.45 116.94 125.30 2i4t h PHE 131 Ca -0.45 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.10 2i4t h PHE 131 Cb 1.24 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 2i4t h PHE 131 CO 0.65 0.13 -0.15 -0.44 -2.23 0.00 0.00 178.31 176.27 2i4t h ASP 132 N 0.46 -0.52 -0.81 0.41 3.32 -1.97 -0.74 116.42 116.57 2i4t h ASP 132 Ca 0.32 0.07 0.13 0.00 0.02 0.00 0.00 57.03 57.57 2i4t h ASP 132 Cb 0.37 0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.06 2i4t h ASP 132 CO -0.29 -0.09 0.42 0.58 -1.72 0.00 0.00 179.24 178.13 2i4t h VAL 133 N -0.07 0.78 -0.31 -1.35 2.07 -1.83 0.17 116.25 115.71 2i4t h VAL 133 Ca 0.03 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2i4t h VAL 133 Cb 0.14 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2i4t h VAL 133 CO -0.19 0.12 0.16 0.58 0.02 0.00 0.00 177.57 178.26 2i4t h VAL 134 N 0.64 1.00 -0.70 2.57 2.07 -0.70 0.48 116.25 121.61 2i4t h VAL 134 Ca 0.43 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 2i4t h VAL 134 Cb 0.54 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2i4t h VAL 134 CO -0.33 0.06 0.30 0.00 0.02 0.00 0.00 177.57 177.63 2i4t h ALA 136 N 1.14 -1.20 -0.71 0.00 0.00 -0.16 0.35 119.26 118.69 2i4t h ALA 136 Ca 0.24 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 55.04 2i4t h ALA 136 Cb 0.17 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 2i4t h ALA 136 CO -0.02 -1.15 0.06 -0.07 0.00 0.00 0.00 179.25 178.07 2i4t h LEU 137 N -1.25 -0.21 -0.78 0.00 3.38 -0.61 0.14 115.31 115.98 2i4t h LEU 137 Ca -0.12 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2i4t h LEU 137 Cb 0.92 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2i4t h LEU 137 CO 0.20 -0.12 0.44 0.58 0.09 0.00 0.00 178.44 179.63 2i4t h VAL 138 N 0.16 1.23 0.43 1.22 2.07 0.07 -1.94 116.25 119.48 2i4t h VAL 138 Ca 0.39 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2i4t h VAL 138 Cb 0.66 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2i4t h VAL 138 CO -0.57 0.25 -0.21 0.44 0.02 0.00 0.00 177.57 177.50 2i4t h ASP 139 N 1.08 -0.49 -0.72 0.57 3.32 0.23 -2.55 116.42 117.86 2i4t h ASP 139 Ca 0.28 0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.57 2i4t h ASP 139 Cb 0.01 0.13 -0.13 0.00 0.22 0.00 0.00 39.33 39.56 2i4t h ASP 139 CO -0.05 -0.30 0.12 0.00 -1.72 0.00 0.00 179.24 177.29 2i4t n ALA 140 N -2.36 0.47 0.48 3.45 0.00 -0.21 0.14 120.51 122.48 2i4t n ALA 140 Ca -0.07 0.76 0.13 0.00 0.00 0.00 0.00 53.44 54.26 2i4t n ALA 140 Cb 0.23 -0.61 0.42 0.00 0.00 0.00 0.00 19.45 19.49 2i4t n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i4t h ALA 141 N 1.44 1.00 0.00 0.00 0.00 -1.20 -2.11 119.26 118.39 2i4t h ALA 141 Ca 0.48 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.20 2i4t h ALA 141 Cb 1.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2i4t h ALA 141 CO -0.64 0.00 -1.48 1.17 0.00 0.00 0.00 179.25 178.30 2i4t n LYS 142 N -2.43 0.62 -0.02 0.00 4.81 0.37 -0.87 118.16 120.64 2i4t n LYS 142 Ca 0.04 0.24 -0.01 0.00 -0.87 0.00 0.00 58.31 57.71 2i4t n LYS 142 Cb 0.38 -1.80 -0.00 0.00 0.02 0.00 0.00 35.03 33.62 2i4t n LYS 142 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2i4t h GLU 143 N 0.00 -0.06 -0.92 1.64 5.08 -0.74 -3.30 114.58 116.28 2i4t h GLU 143 Ca -0.19 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.41 2i4t h GLU 143 Cb 1.67 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.88 2i4t h GLU 143 CO 0.05 -0.04 0.63 -0.07 -1.00 0.00 0.00 179.01 178.58 2i4t h LEU 144 N -0.97 0.25 -0.05 1.33 3.38 -1.59 -3.45 115.31 114.20 2i4t h LEU 144 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2i4t h LEU 144 Cb 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2i4t h LEU 144 CO 0.01 0.09 0.00 -3.20 0.09 0.00 0.00 178.44 175.43 2i4t n ASN 145 N -4.43 -0.15 -4.46 -0.43 4.05 -1.21 -5.11 115.26 103.52 2i4t n ASN 145 Ca 0.20 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.89 2i4t n ASN 145 Cb 0.83 -0.05 -0.13 0.00 1.23 0.00 0.00 39.78 41.66 2i4t n ASN 145 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2i4t s ILE 146 N -2.05 3.55 0.24 -1.44 1.01 -0.05 -5.03 121.20 117.44 2i4t s ILE 146 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 2i4t s ILE 146 Cb 0.00 -2.52 -0.09 0.00 0.01 0.00 0.00 42.46 39.86 2i4t s ILE 146 CO 0.00 0.52 1.28 -2.84 0.00 0.00 0.00 174.94 173.90 2i4t s PRO 147 N 0.17 4.42 -0.06 2.79 0.02 -1.26 -4.53 135.00 136.55 2i4t s PRO 147 Ca -0.04 2.05 -0.02 0.00 0.02 0.00 0.00 61.00 63.00 2i4t s PRO 147 Cb -0.14 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.25 2i4t s PRO 147 CO 0.04 -0.17 0.13 0.00 -0.33 0.00 0.00 177.00 176.66 2i4t s ALA 148 N -0.32 -0.18 0.27 -1.55 0.00 -1.26 -4.22 121.76 114.49 2i4t s ALA 148 Ca 0.53 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 2i4t s ALA 148 Cb -0.36 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 2i4t s ALA 148 CO 0.42 -0.21 0.82 0.15 0.00 0.00 0.00 175.76 176.94 2i4t s LYS 149 N 1.33 4.40 -0.10 0.00 1.02 -0.40 -4.87 119.74 121.12 2i4t s LYS 149 Ca -0.07 1.07 -0.00 0.00 0.02 0.00 0.00 55.97 56.99 2i4t s LYS 149 Cb -0.12 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 2i4t s LYS 149 CO -0.05 0.34 -0.08 0.08 -0.92 0.00 0.00 175.35 174.72 2i4t s VAL 150 N -1.56 3.53 -1.91 3.17 1.01 -1.26 0.70 120.40 124.07 2i4t s VAL 150 Ca 0.46 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2i4t s VAL 150 Cb -0.18 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2i4t s VAL 150 CO 0.22 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.49 2i4t n GLY 151 N 2.86 -0.88 3.89 4.51 0.00 -0.25 -4.96 105.19 110.35 2i4t n GLY 151 Ca -0.18 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 2i4t n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i4t s LYS 152 N -0.76 3.51 0.51 1.61 -2.85 -1.26 0.13 119.74 120.61 2i4t s LYS 152 Ca 0.00 -0.14 0.08 0.00 -1.00 0.00 0.00 55.97 54.91 2i4t s LYS 152 Cb 0.00 -3.13 0.04 0.00 -2.06 0.00 0.00 37.83 32.68 2i4t s LYS 152 CO 0.00 0.71 0.57 0.20 0.10 0.00 0.00 175.35 176.92 2i4t s GLY 153 N -1.50 2.02 -0.05 0.59 0.00 0.41 -0.01 107.32 108.78 2i4t s GLY 153 Ca 0.23 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.14 2i4t s GLY 153 CO 0.12 -1.72 0.07 -0.12 0.00 0.00 0.00 173.10 171.46 2i4t s PHE 154 N -2.60 0.02 -0.38 1.90 5.36 -0.97 -1.71 117.98 119.60 2i4t s PHE 154 Ca 0.51 0.31 -0.19 0.00 -0.96 0.00 0.00 56.93 56.60 2i4t s PHE 154 Cb -0.05 -0.43 0.01 0.00 -0.34 0.00 0.00 43.02 42.21 2i4t s PHE 154 CO 0.31 -0.20 0.53 -1.12 -1.46 0.00 0.00 175.22 173.28 2i4t s SER 155 N 2.12 6.30 0.17 6.13 0.01 0.66 -1.50 113.70 127.59 2i4t s SER 155 Ca 0.04 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 2i4t s SER 155 Cb -0.12 -2.27 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 2i4t s SER 155 CO -0.03 -0.56 0.46 0.28 0.41 0.00 0.00 173.24 173.80 2i4t s THR 156 N 2.44 5.04 -1.03 1.44 -1.32 -0.62 -2.85 115.64 118.74 2i4t s THR 156 Ca 0.18 0.32 0.26 0.00 -1.21 0.00 0.00 61.69 61.24 2i4t s THR 156 Cb -0.15 -3.63 0.07 0.00 -1.51 0.00 0.00 72.50 67.28 2i4t s THR 156 CO 0.15 0.03 1.54 0.47 -2.21 0.00 0.00 174.62 174.59 2i4t n ASP 157 N 0.12 0.41 -3.62 8.08 10.43 -1.26 -4.55 116.55 126.15 2i4t n ASP 157 Ca -0.02 -0.12 -0.29 0.00 2.57 0.00 0.00 54.79 56.93 2i4t n ASP 157 Cb 0.52 0.08 -0.13 0.00 1.84 0.00 0.00 41.12 43.44 2i4t n ASP 157 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2i4t s LEU 158 N -2.97 2.13 0.18 0.64 1.02 -1.26 -4.98 118.68 113.44 2i4t s LEU 158 Ca 0.12 -2.53 -0.21 0.00 0.02 0.00 0.00 54.13 51.54 2i4t s LEU 158 Cb 0.18 -0.82 0.10 0.00 0.02 0.00 0.00 46.19 45.68 2i4t s LEU 158 CO 0.65 -0.27 1.60 0.15 0.02 0.00 0.00 176.35 178.51 2i4t h PHE 159 N 6.75 -0.77 -1.10 0.29 3.57 -1.96 -2.75 116.94 120.96 2i4t h PHE 159 Ca 0.03 0.06 -0.63 0.00 3.53 0.00 0.00 57.97 60.95 2i4t h PHE 159 Cb 0.94 0.41 -0.10 0.00 2.79 0.00 0.00 35.95 39.99 2i4t h PHE 159 CO 0.46 -0.35 1.71 0.71 -2.23 0.00 0.00 178.31 178.61 2i4t s TYR 160 N -6.05 2.66 -0.52 0.41 1.51 -1.26 -4.98 117.35 109.12 2i4t s TYR 160 Ca -0.15 -1.17 -0.27 0.00 -1.01 0.00 0.00 57.07 54.48 2i4t s TYR 160 Cb 0.15 -4.69 0.03 0.00 -0.11 0.00 0.00 41.96 37.34 2i4t s TYR 160 CO 0.69 -1.86 1.08 1.21 -1.11 0.00 0.00 175.55 175.56 2i4t s ASN 161 N 4.61 6.50 0.59 2.29 3.84 -1.04 -4.90 114.94 126.83 2i4t s ASN 161 Ca 0.48 0.14 0.34 0.00 0.21 0.00 0.00 52.86 54.04 2i4t s ASN 161 Cb 0.01 -2.51 1.88 0.00 -0.55 0.00 0.00 41.25 40.08 2i4t s ASN 161 CO -0.04 -1.28 2.22 1.55 -2.79 0.00 0.00 177.10 176.76 2i4t h PRO 162 N 9.32 0.00 -6.07 0.43 0.13 -1.94 -3.36 132.00 130.51 2i4t h PRO 162 Ca -0.24 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.34 2i4t h PRO 162 Cb 1.06 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 2i4t h PRO 162 CO 1.12 0.03 1.35 -0.65 -0.23 0.00 0.00 178.00 179.62 2i4t s GLN 163 N -4.28 3.39 0.40 0.86 -0.21 -1.26 -4.82 119.66 113.74 2i4t s GLN 163 Ca -0.04 -0.89 0.22 0.00 0.02 0.00 0.00 55.36 54.66 2i4t s GLN 163 Cb 0.13 -5.20 0.38 0.00 1.00 0.00 0.00 33.01 29.33 2i4t s GLN 163 CO 0.51 -2.38 1.61 1.79 -2.12 0.00 0.00 175.29 174.69 2i4t h THR 164 N 6.80 0.30 0.00 -0.19 1.35 -2.03 -2.63 112.91 116.51 2i4t h THR 164 Ca 0.13 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2i4t h THR 164 Cb 1.02 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2i4t h THR 164 CO 1.38 0.16 0.00 -0.62 -0.25 0.00 0.00 175.52 176.19 2i4t n GLU 165 N -3.16 0.10 0.20 4.72 1.02 -1.26 -3.96 120.64 118.30 2i4t n GLU 165 Ca 0.03 0.38 0.07 0.00 -0.02 0.00 0.00 57.16 57.62 2i4t n GLU 165 Cb 0.57 -1.71 0.39 0.00 -0.02 0.00 0.00 31.44 30.67 2i4t n GLU 165 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2i4t h LEU 166 N 0.00 0.00 -0.07 -4.62 5.85 -1.88 -3.01 115.31 111.58 2i4t h LEU 166 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2i4t h LEU 166 Cb 0.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2i4t h LEU 166 CO 0.00 0.32 -0.41 0.00 -0.34 0.00 0.00 178.44 178.00 2i4t h ALA 167 N 1.68 0.14 -0.76 1.25 0.00 -1.81 -0.01 119.26 119.76 2i4t h ALA 167 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2i4t h ALA 167 Cb 0.83 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2i4t h ALA 167 CO 0.04 0.26 0.50 1.96 0.00 0.00 0.00 179.25 182.02 2i4t h GLN 168 N -0.08 0.99 0.20 0.00 1.08 -1.82 -1.51 115.11 113.97 2i4t h GLN 168 Ca -0.03 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2i4t h GLN 168 Cb 1.07 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 28.25 2i4t h GLN 168 CO 0.08 0.65 -0.32 1.25 -0.95 0.00 0.00 178.83 179.55 2i4t h LEU 169 N 1.02 -0.91 -1.65 1.46 6.46 -1.37 0.97 115.31 121.28 2i4t h LEU 169 Ca 0.28 0.10 0.25 0.00 -0.12 0.00 0.00 57.88 58.39 2i4t h LEU 169 Cb -0.10 0.33 -0.06 0.00 -0.73 0.00 0.00 40.66 40.09 2i4t h LEU 169 CO -0.07 -0.43 0.66 0.24 -0.62 0.00 0.00 178.44 178.22 2i4t h MET 170 N -0.60 0.24 0.07 1.25 2.86 -0.69 -2.11 114.93 115.95 2i4t h MET 170 Ca 0.01 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2i4t h MET 170 Cb 0.59 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2i4t h MET 170 CO -0.14 0.16 -0.03 -0.97 1.06 0.00 0.00 176.91 176.99 2i4t h ASN 171 N 0.25 -0.08 -1.00 1.22 -1.24 0.17 -1.10 115.58 113.80 2i4t h ASN 171 Ca 0.50 -0.41 0.25 0.00 0.71 0.00 0.00 56.30 57.35 2i4t h ASN 171 Cb 1.53 0.02 -0.19 0.00 0.73 0.00 0.00 38.32 40.42 2i4t h ASN 171 CO -0.15 0.39 -0.08 0.11 -1.29 0.00 0.00 177.43 176.41 2i4t h LYS 172 N -0.57 0.00 -0.41 6.67 1.57 -0.46 0.21 116.57 123.58 2i4t h LYS 172 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2i4t h LYS 172 Cb 0.48 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2i4t h LYS 172 CO 0.02 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.09 2i4t n PHE 173 N -5.55 0.48 -3.78 -1.35 3.72 -0.97 -4.92 117.46 105.10 2i4t n PHE 173 Ca 0.21 -0.21 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2i4t n PHE 173 Cb 0.67 -0.06 0.04 0.00 -0.94 0.00 0.00 39.48 39.19 2i4t n PHE 173 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2i4t n HIS 174 N 0.32 -2.35 -2.20 1.38 8.25 0.74 -5.00 115.22 116.36 2i4t n HIS 174 Ca 0.10 0.92 -0.36 0.00 -0.26 0.00 0.00 57.72 58.12 2i4t n HIS 174 Cb 0.33 -4.34 0.01 0.00 1.12 0.00 0.00 29.99 27.10 2i4t n HIS 174 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2i4t s PHE 175 N -3.38 2.67 -0.05 4.41 0.40 -0.48 -4.72 117.98 116.84 2i4t s PHE 175 Ca 0.49 1.53 -0.03 0.00 -0.60 0.00 0.00 56.93 58.32 2i4t s PHE 175 Cb -0.24 -3.37 -0.02 0.00 0.51 0.00 0.00 43.02 39.90 2i4t s PHE 175 CO 0.80 -1.72 0.16 -0.07 0.70 0.00 0.00 175.22 175.09 2i4t h LEU 176 N 1.43 -0.08 -8.80 -0.37 4.07 -0.79 -3.28 115.31 107.49 2i4t h LEU 176 Ca -0.50 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.04 2i4t h LEU 176 Cb 1.26 0.02 -0.11 0.00 1.08 0.00 0.00 40.66 42.92 2i4t h LEU 176 CO 0.58 0.21 -0.38 0.00 -1.08 0.00 0.00 178.44 177.77 2i4t s ALA 177 N -2.97 1.56 -0.04 1.53 0.00 -1.25 -1.62 121.76 118.96 2i4t s ALA 177 Ca -0.01 -1.93 0.05 0.00 0.00 0.00 0.00 51.96 50.06 2i4t s ALA 177 Cb 0.00 1.38 -0.00 0.00 0.00 0.00 0.00 23.12 24.49 2i4t s ALA 177 CO 0.04 -0.71 -0.18 0.08 0.00 0.00 0.00 175.76 174.99 2i4t s VAL 178 N -3.23 1.52 0.00 0.00 1.01 0.69 -2.28 120.40 118.11 2i4t s VAL 178 Ca 0.38 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2i4t s VAL 178 Cb 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2i4t s VAL 178 CO 0.27 0.43 0.00 -1.84 0.00 0.00 0.00 175.10 173.96 2i4t n GLU 179 N 3.10 0.13 -0.10 2.72 -0.00 -0.56 -3.60 120.64 122.34 2i4t n GLU 179 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2i4t n GLU 179 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2i4t n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2i4t n MET 180 N 0.00 0.14 0.00 3.44 2.81 -1.26 -1.59 117.12 120.66 2i4t n MET 180 Ca 0.00 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 2i4t n MET 180 Cb 0.00 -0.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 2i4t n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2i4t n GLU 181 N -0.04 2.52 -0.16 0.03 4.71 -1.26 -2.22 120.64 124.22 2i4t n GLU 181 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 2i4t n GLU 181 Cb 0.53 -0.75 -0.00 0.00 -1.01 0.00 0.00 31.44 30.21 2i4t n GLU 181 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 2i4t h SER 182 N 0.00 0.75 -0.37 1.62 0.02 -1.95 -1.78 113.55 111.84 2i4t h SER 182 Ca 0.00 -0.28 0.11 0.00 -0.84 0.00 0.00 61.79 60.77 2i4t h SER 182 Cb 0.24 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2i4t h SER 182 CO 0.00 0.85 0.37 0.00 -1.14 0.00 0.00 176.83 176.91 2i4t h ALA 183 N 0.93 2.09 0.18 3.77 0.00 -1.82 -0.39 119.26 124.03 2i4t h ALA 183 Ca 0.13 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 2i4t h ALA 183 Cb 0.44 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.28 2i4t h ALA 183 CO 0.02 -0.56 -1.34 0.78 0.00 0.00 0.00 179.25 178.14 2i4t h GLY 184 N 0.00 0.48 1.73 0.00 0.00 -1.69 -3.39 103.07 100.19 2i4t h GLY 184 Ca 0.18 -1.20 -0.14 0.00 0.00 0.00 0.00 47.33 46.17 2i4t h GLY 184 CO -0.00 1.05 -0.54 -2.00 0.00 0.00 0.00 176.54 175.05 2i4t h LEU 185 N 0.13 0.32 0.15 3.11 5.85 -0.76 -3.32 115.31 120.78 2i4t h LEU 185 Ca -0.19 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2i4t h LEU 185 Cb 2.05 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.99 2i4t h LEU 185 CO 0.24 0.80 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.80 2i4t h PHE 186 N 0.22 -0.18 0.00 1.25 0.05 -1.63 -2.79 116.94 113.87 2i4t h PHE 186 Ca 0.00 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 2i4t h PHE 186 Cb 1.02 0.06 -0.00 0.00 2.00 0.00 0.00 35.95 39.03 2i4t h PHE 186 CO 0.02 0.25 -0.00 -1.35 -0.18 0.00 0.00 178.31 177.05 2i4t h PRO 187 N -0.72 0.00 -0.08 1.51 0.11 -1.76 -1.14 132.00 129.92 2i4t h PRO 187 Ca -0.02 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 2i4t h PRO 187 Cb 0.52 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.63 2i4t h PRO 187 CO 0.03 0.00 -0.51 0.82 -0.21 0.00 0.00 178.00 178.14 2i4t h ILE 188 N 0.00 1.38 -0.04 4.15 2.04 -1.64 0.65 117.51 124.05 2i4t h ILE 188 Ca -0.00 -1.86 0.03 0.00 1.00 0.00 0.00 64.86 64.03 2i4t h ILE 188 Cb 0.12 2.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 2i4t h ILE 188 CO 0.00 0.55 -0.17 0.00 0.00 0.00 0.00 178.15 178.54 2i4t h ALA 189 N 0.44 -0.17 -0.66 1.87 0.00 -0.99 -1.78 119.26 117.97 2i4t h ALA 189 Ca -0.04 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2i4t h ALA 189 Cb 1.16 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 19.13 2i4t h ALA 189 CO 0.10 -0.65 -0.23 -0.44 0.00 0.00 0.00 179.25 178.04 2i4t h ASP 190 N -0.25 -0.82 -0.31 0.00 3.32 -1.18 -0.06 116.42 117.11 2i4t h ASP 190 Ca 0.07 0.22 0.08 0.00 0.02 0.00 0.00 57.03 57.41 2i4t h ASP 190 Cb 0.34 0.48 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2i4t h ASP 190 CO -0.19 -0.26 0.22 0.25 -1.72 0.00 0.00 179.24 177.54 2i4t h LEU 191 N -0.06 0.07 -2.57 1.55 5.85 -0.05 -1.98 115.31 118.13 2i4t h LEU 191 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2i4t h LEU 191 Cb 0.53 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2i4t h LEU 191 CO -0.71 0.04 0.00 -1.22 -0.34 0.00 0.00 178.44 176.22 2i4t n TYR 192 N -4.46 0.58 -0.09 1.25 4.01 -0.17 -4.92 117.16 113.37 2i4t n TYR 192 Ca 0.04 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 2i4t n TYR 192 Cb 0.34 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2i4t n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i4t n GLY 193 N 1.08 2.81 1.66 2.72 0.00 -0.45 -4.97 105.19 108.05 2i4t n GLY 193 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2i4t n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4t n ALA 194 N 0.07 -0.33 -2.60 4.61 0.00 -0.81 -4.96 120.51 116.49 2i4t n ALA 194 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 53.44 52.40 2i4t n ALA 194 Cb 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 2i4t n ALA 194 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i4t s ARG 195 N -3.95 2.17 -0.02 0.00 0.52 -0.73 -4.24 118.95 112.71 2i4t s ARG 195 Ca 0.31 -1.33 -0.23 0.00 -0.52 0.00 0.00 55.73 53.96 2i4t s ARG 195 Cb -0.01 -2.16 0.05 0.00 0.52 0.00 0.00 34.95 33.34 2i4t s ARG 195 CO 0.21 0.41 0.50 0.00 0.02 0.00 0.00 175.30 176.43 2i4t s ALA 196 N -1.98 -1.27 0.23 2.13 0.00 -1.26 -2.38 121.76 117.22 2i4t s ALA 196 Ca 0.28 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 2i4t s ALA 196 Cb -0.08 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 2i4t s ALA 196 CO 0.17 -0.34 0.45 0.20 0.00 0.00 0.00 175.76 176.24 2i4t s GLY 197 N -1.37 0.44 -0.09 0.00 0.00 -0.49 -1.41 107.32 104.40 2i4t s GLY 197 Ca -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 2i4t s GLY 197 CO 0.06 -0.61 0.19 0.00 0.00 0.00 0.00 173.10 172.74 2i4t s ILE 199 N 1.81 1.51 0.02 0.00 2.07 0.67 -1.95 121.20 125.33 2i4t s ILE 199 Ca -0.03 -0.71 -0.01 0.00 -1.41 0.00 0.00 60.65 58.49 2i4t s ILE 199 Cb -0.12 -1.33 -0.02 0.00 0.13 0.00 0.00 42.46 41.13 2i4t s ILE 199 CO -0.07 0.44 -0.01 0.00 -1.91 0.00 0.00 174.94 173.39 2i4t s THR 201 N -1.38 5.14 -0.01 0.00 -1.32 -0.63 -1.21 115.64 116.23 2i4t s THR 201 Ca -0.15 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 2i4t s THR 201 Cb -0.09 -3.23 -0.05 0.00 -1.51 0.00 0.00 72.50 67.61 2i4t s THR 201 CO -0.01 0.59 1.43 -0.69 -2.21 0.00 0.00 174.62 173.73 2i4t s VAL 202 N -1.01 3.70 -0.16 5.08 1.01 -0.16 -2.42 120.40 126.44 2i4t s VAL 202 Ca 0.15 1.06 0.09 0.00 0.00 0.00 0.00 61.98 63.28 2i4t s VAL 202 Cb -0.12 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.46 2i4t s VAL 202 CO 0.04 -0.01 0.26 -1.54 0.00 0.00 0.00 175.10 173.85 2i4t n SER 203 N 5.57 1.98 -3.14 3.32 3.41 0.79 -0.48 113.62 125.07 2i4t n SER 203 Ca 0.14 -0.27 -0.07 0.00 -0.26 0.00 0.00 58.87 58.41 2i4t n SER 203 Cb 0.43 1.26 0.02 0.00 -0.26 0.00 0.00 64.21 65.66 2i4t n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2i4t s ASP 204 N -2.58 -0.03 -0.03 4.04 1.47 -1.19 -3.22 116.67 115.12 2i4t s ASP 204 Ca -0.01 -0.97 0.01 0.00 1.18 0.00 0.00 52.55 52.76 2i4t s ASP 204 Cb 0.06 0.76 0.02 0.00 -0.34 0.00 0.00 42.92 43.42 2i4t s ASP 204 CO 0.37 -1.50 -0.04 -2.28 0.68 0.00 0.00 175.17 172.40 2i4t s HIS 205 N -2.51 0.60 -1.10 2.11 2.46 -1.26 -2.58 115.29 113.01 2i4t s HIS 205 Ca 0.16 -0.13 0.27 0.00 0.47 0.00 0.00 55.06 55.82 2i4t s HIS 205 Cb -0.05 -0.52 0.81 0.00 -0.13 0.00 0.00 32.58 32.70 2i4t s HIS 205 CO 0.09 -0.12 1.62 -0.89 -2.47 0.00 0.00 174.74 172.97 2i4t n ILE 206 N 3.74 0.00 -0.01 0.89 5.41 0.44 -2.66 119.36 127.17 2i4t n ILE 206 Ca -0.22 -0.01 0.01 0.00 1.00 0.00 0.00 62.75 63.53 2i4t n ILE 206 Cb 0.53 -0.01 -0.05 0.00 -0.71 0.00 0.00 39.64 39.40 2i4t n ILE 206 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2i4t n LEU 207 N -1.41 0.00 -2.69 1.39 4.77 -1.26 -4.80 117.00 113.00 2i4t n LEU 207 Ca 0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.02 2i4t n LEU 207 Cb 0.33 0.05 0.12 0.00 -2.33 0.00 0.00 43.42 41.59 2i4t n LEU 207 CO 0.31 0.05 0.54 0.00 -1.33 0.00 0.00 177.39 176.96 2i4t n HIS 208 N -1.90 -1.91 -1.64 -1.77 1.44 -1.26 -5.14 115.22 103.04 2i4t n HIS 208 Ca -0.04 -1.83 -0.38 0.00 -2.01 0.00 0.00 57.72 53.46 2i4t n HIS 208 Cb 0.35 1.42 0.05 0.00 0.12 0.00 0.00 29.99 31.93 2i4t n HIS 208 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2i4t n HIS 209 N -1.19 1.15 0.00 -1.40 1.44 -1.09 -4.92 115.22 109.21 2i4t n HIS 209 Ca -0.11 0.44 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 2i4t n HIS 209 Cb 0.86 -2.19 0.00 0.00 0.12 0.00 0.00 29.99 28.79 2i4t n HIS 209 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2i4t n GLU 210 N -1.03 0.00 0.00 -1.40 1.02 -1.26 -5.00 120.64 112.96 2i4t n GLU 210 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2i4t n GLU 210 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 2i4t n GLU 210 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2i4t n GLU 211 N 0.32 0.00 0.00 3.49 -0.58 -1.26 -4.36 120.64 118.25 2i4t n GLU 211 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2i4t n GLU 211 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2i4t n GLU 211 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2i4t n THR 212 N 0.00 0.00 -4.01 2.62 -1.04 -1.20 -4.38 114.28 106.27 2i4t n THR 212 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 2i4t n THR 212 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 2i4t n THR 212 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2i4t s THR 213 N -2.00 4.90 0.26 12.58 -4.23 -1.26 -4.94 115.64 120.95 2i4t s THR 213 Ca 0.00 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 2i4t s THR 213 Cb 0.00 -3.47 0.25 0.00 1.34 0.00 0.00 72.50 70.61 2i4t s THR 213 CO 0.00 -0.04 1.71 0.00 -0.54 0.00 0.00 174.62 175.75 2i4t h ALA 214 N 2.54 1.14 0.12 3.99 0.00 -2.01 0.26 119.26 125.30 2i4t h ALA 214 Ca -0.47 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2i4t h ALA 214 Cb 1.19 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2i4t h ALA 214 CO 0.67 -0.28 -0.06 1.49 0.00 0.00 0.00 179.25 181.07 2i4t h GLU 215 N 0.38 -0.16 -0.42 0.00 4.22 -1.98 0.64 114.58 117.27 2i4t h GLU 215 Ca 0.46 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.82 2i4t h GLU 215 Cb 0.78 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2i4t h GLU 215 CO -0.47 0.10 -0.12 1.05 -2.18 0.00 0.00 179.01 177.39 2i4t h GLU 216 N -0.41 0.75 0.00 1.92 4.11 -1.69 0.29 114.58 119.55 2i4t h GLU 216 Ca -0.02 -0.25 -0.01 0.00 0.07 0.00 0.00 59.36 59.16 2i4t h GLU 216 Cb 0.33 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2i4t h GLU 216 CO 0.03 0.84 -0.03 -0.09 0.07 0.00 0.00 179.01 179.82 2i4t h ARG 217 N 0.68 0.00 0.12 1.06 2.43 -0.56 0.65 114.38 118.76 2i4t h ARG 217 Ca 0.11 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.95 2i4t h ARG 217 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2i4t h ARG 217 CO 0.04 0.03 -1.79 0.37 -1.51 0.00 0.00 179.97 177.12 2i4t h GLN 218 N 0.00 0.26 0.00 0.20 4.15 0.73 -3.44 115.11 117.02 2i4t h GLN 218 Ca -0.00 -0.44 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 2i4t h GLN 218 Cb 0.34 0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 2i4t h GLN 218 CO 0.00 1.12 -1.02 0.09 -1.93 0.00 0.00 178.83 177.10 2i4t n ASN 219 N -3.44 4.90 -0.63 -0.69 3.02 0.87 -4.62 115.26 114.67 2i4t n ASN 219 Ca -0.24 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.41 2i4t n ASN 219 Cb 1.05 0.93 0.33 0.00 -0.61 0.00 0.00 39.78 41.49 2i4t n ASN 219 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2i4t n SER 220 N -1.61 1.88 -2.65 6.41 3.41 0.22 -4.39 113.62 116.90 2i4t n SER 220 Ca -0.00 -1.77 -0.33 0.00 -0.26 0.00 0.00 58.87 56.51 2i4t n SER 220 Cb 0.10 -0.14 0.02 0.00 -0.26 0.00 0.00 64.21 63.94 2i4t n SER 220 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2i4t n PHE 221 N 0.47 3.22 -2.45 7.33 0.99 -1.24 -5.00 117.46 120.79 2i4t n PHE 221 Ca 0.16 -2.77 -0.34 0.00 -0.00 0.00 0.00 57.45 54.50 2i4t n PHE 221 Cb 0.36 -0.57 -0.02 0.00 -1.00 0.00 0.00 39.48 38.24 2i4t n PHE 221 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2i4t s GLN 222 N -3.77 3.66 0.00 -1.08 -1.52 -1.26 -4.04 119.66 111.64 2i4t s GLN 222 Ca 0.50 1.42 0.00 0.00 -1.95 0.00 0.00 55.36 55.33 2i4t s GLN 222 Cb 0.42 -2.07 0.00 0.00 -0.22 0.00 0.00 33.01 31.14 2i4t s GLN 222 CO -0.28 -0.56 0.00 0.09 -0.25 0.00 0.00 175.29 174.29 2i4t n ASN 223 N -1.10 0.00 -0.22 5.90 5.03 -1.26 -4.68 115.26 118.93 2i4t n ASN 223 Ca 0.10 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.57 2i4t n ASN 223 Cb 0.52 0.00 0.14 0.00 -1.02 0.00 0.00 39.78 39.42 2i4t n ASN 223 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2i4t h MET 224 N 0.00 0.25 -0.50 3.52 -0.00 -1.99 0.80 114.93 117.01 2i4t h MET 224 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2i4t h MET 224 Cb 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 31.52 2i4t h MET 224 CO 0.00 0.17 0.33 0.52 -0.00 0.00 0.00 176.91 177.93 2i4t h MET 225 N 0.26 0.66 0.41 -0.10 2.86 -1.84 0.16 114.93 117.35 2i4t h MET 225 Ca 0.35 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 2i4t h MET 225 Cb 0.56 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2i4t h MET 225 CO -0.45 0.44 -0.20 0.87 1.06 0.00 0.00 176.91 178.64 2i4t h LYS 226 N 0.68 -0.53 -0.81 1.72 1.79 -1.49 -1.64 116.57 116.29 2i4t h LYS 226 Ca 0.18 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.78 2i4t h LYS 226 Cb -0.07 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.63 2i4t h LYS 226 CO -0.04 -0.22 0.46 0.82 -1.08 0.00 0.00 179.45 179.39 2i4t h ILE 227 N -0.96 0.92 -0.66 1.86 2.04 0.77 0.19 117.51 121.67 2i4t h ILE 227 Ca -0.06 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2i4t h ILE 227 Cb 0.55 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2i4t h ILE 227 CO 0.09 0.14 0.41 0.00 0.00 0.00 0.00 178.15 178.79 2i4t h ALA 228 N 1.44 0.83 -0.02 1.87 0.00 -0.70 0.31 119.26 123.00 2i4t h ALA 228 Ca 0.38 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 2i4t h ALA 228 Cb 0.33 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.87 2i4t h ALA 228 CO -0.24 0.30 -0.83 -0.07 0.00 0.00 0.00 179.25 178.41 2i4t h LEU 229 N 0.89 0.76 -0.31 0.00 3.38 -0.60 0.35 115.31 119.77 2i4t h LEU 229 Ca 0.24 -0.73 0.06 0.00 0.09 0.00 0.00 57.88 57.53 2i4t h LEU 229 Cb -0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 2i4t h LEU 229 CO -0.05 1.39 -0.01 -0.33 0.09 0.00 0.00 178.44 179.53 2i4t h GLU 230 N 0.21 0.07 0.14 1.13 3.07 -0.94 -1.46 114.58 116.80 2i4t h GLU 230 Ca -0.10 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2i4t h GLU 230 Cb 1.50 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.39 2i4t h GLU 230 CO 0.16 0.05 -0.13 0.00 -1.40 0.00 0.00 179.01 177.69 2i4t h ALA 231 N 1.28 -0.26 -0.89 3.43 0.00 -0.21 -1.63 119.26 120.97 2i4t h ALA 231 Ca 0.15 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.25 2i4t h ALA 231 Cb 0.21 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 18.02 2i4t h ALA 231 CO -0.26 -0.66 0.03 0.00 0.00 0.00 0.00 179.25 178.36 2i4t h ALA 232 N 0.56 1.02 0.12 0.00 0.00 -0.01 -2.51 119.26 118.43 2i4t h ALA 232 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2i4t h ALA 232 Cb 0.27 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2i4t h ALA 232 CO -0.03 -0.50 -0.46 0.82 0.00 0.00 0.00 179.25 179.09 2i4t h ILE 233 N 0.07 0.00 -0.83 0.00 1.08 -0.26 -2.40 117.51 115.16 2i4t h ILE 233 Ca 0.52 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 65.07 2i4t h ILE 233 Cb 1.01 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.65 2i4t h ILE 233 CO -0.81 0.00 -0.57 0.11 -0.69 0.00 0.00 178.15 176.20 2i4t h LYS 234 N -0.66 -0.11 0.00 2.37 1.79 -1.40 -3.52 116.57 115.04 2i4t h LYS 234 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2i4t h LYS 234 Cb 0.66 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2i4t h LYS 234 CO -0.24 -0.07 0.00 1.28 -1.08 0.00 0.00 179.45 179.34