#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it5 n PRO 3 N 0.00 0.86 0.02 0.52 -0.02 -1.26 -4.76 135.00 130.35 3it5 n PRO 3 Ca 0.00 0.31 0.06 0.00 -2.02 0.00 0.00 63.50 61.85 3it5 n PRO 3 Cb 0.00 -1.94 0.25 0.00 -0.02 0.00 0.00 33.50 31.80 3it5 n PRO 3 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3it5 n SER 4 N 3.87 0.08 -0.74 2.55 3.41 -1.26 -2.54 113.62 118.99 3it5 n SER 4 Ca 0.24 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.44 3it5 n SER 4 Cb 0.11 -0.54 0.19 0.00 -0.26 0.00 0.00 64.21 63.72 3it5 n SER 4 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3it5 n ASN 5 N -1.59 3.24 -0.09 4.04 6.94 -1.26 -4.46 115.26 122.07 3it5 n ASN 5 Ca 0.02 -2.27 -0.22 0.00 -0.02 0.00 0.00 54.58 52.09 3it5 n ASN 5 Cb 0.12 -0.32 -0.12 0.00 -2.36 0.00 0.00 39.78 37.10 3it5 n ASN 5 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3it5 n LEU 6 N 0.29 1.95 -4.61 -4.53 7.94 -1.05 -4.84 117.00 112.15 3it5 n LEU 6 Ca 0.15 0.39 -0.25 0.00 -1.11 0.00 0.00 56.01 55.19 3it5 n LEU 6 Cb 0.56 -0.98 -0.08 0.00 0.53 0.00 0.00 43.42 43.45 3it5 n LEU 6 CO 0.10 0.35 -0.37 -0.04 -1.11 0.00 0.00 177.39 176.33 3it5 s MET 7 N -2.39 2.18 0.27 1.96 -1.94 -1.26 -4.43 119.30 113.68 3it5 s MET 7 Ca -0.29 -1.37 0.02 0.00 -1.71 0.00 0.00 55.69 52.34 3it5 s MET 7 Cb 0.06 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 3it5 s MET 7 CO 0.60 0.39 0.13 1.14 -0.01 0.00 0.00 175.02 177.28 3it5 s GLN 8 N -3.32 1.45 0.42 2.03 -2.07 0.12 -1.50 119.66 116.79 3it5 s GLN 8 Ca 0.29 -1.80 -0.26 0.00 -1.82 0.00 0.00 55.36 51.76 3it5 s GLN 8 Cb -0.07 -0.11 -0.09 0.00 -1.09 0.00 0.00 33.01 31.65 3it5 s GLN 8 CO 0.18 -0.37 1.36 -0.51 -1.32 0.00 0.00 175.29 174.62 3it5 s LEU 9 N -3.31 4.19 0.00 2.60 1.43 -1.26 -4.61 118.68 117.72 3it5 s LEU 9 Ca 0.37 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 56.25 3it5 s LEU 9 Cb 0.07 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3it5 s LEU 9 CO 0.15 -0.96 0.57 -0.81 0.23 0.00 0.00 176.35 175.53 3it5 n PRO 10 N 0.05 0.83 -4.62 1.29 -0.04 -1.26 -4.70 135.00 126.55 3it5 n PRO 10 Ca 0.04 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 3it5 n PRO 10 Cb 0.43 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 3it5 n PRO 10 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3it5 s TRP 11 N -0.55 2.02 0.14 0.54 -2.14 -1.26 -0.23 118.94 117.45 3it5 s TRP 11 Ca 0.00 -0.96 -0.31 0.00 2.66 0.00 0.00 56.10 57.49 3it5 s TRP 11 Cb 0.00 -1.49 -0.11 0.00 -3.10 0.00 0.00 33.47 28.77 3it5 s TRP 11 CO 0.00 0.13 1.83 1.03 -2.66 0.00 0.00 176.95 177.28 3it5 s ARG 12 N -3.80 4.13 -0.06 3.25 0.52 -1.26 -4.77 118.95 116.95 3it5 s ARG 12 Ca 0.22 2.61 -0.37 0.00 -0.52 0.00 0.00 55.73 57.68 3it5 s ARG 12 Cb 0.05 -3.54 -0.15 0.00 0.52 0.00 0.00 34.95 31.83 3it5 s ARG 12 CO 0.11 -0.84 1.59 0.94 0.02 0.00 0.00 175.30 177.13 3it5 n GLN 13 N 5.50 1.43 0.00 3.54 7.27 -1.26 -1.39 117.38 132.46 3it5 n GLN 13 Ca 0.18 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.76 3it5 n GLN 13 Cb 0.38 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 30.80 3it5 n GLN 13 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3it5 n GLY 14 N 3.51 0.49 3.48 1.69 0.00 0.39 -4.99 105.19 109.75 3it5 n GLY 14 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 3it5 n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3it5 s TYR 15 N -2.00 2.13 -0.07 1.61 2.02 -0.48 -4.94 117.35 115.62 3it5 s TYR 15 Ca 0.00 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 3it5 s TYR 15 Cb 0.00 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3it5 s TYR 15 CO 0.00 0.34 -0.05 -1.12 -1.57 0.00 0.00 175.55 173.16 3it5 s SER 16 N -3.52 1.53 0.32 2.29 0.01 -1.26 -1.96 113.70 111.11 3it5 s SER 16 Ca 0.32 -0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.50 3it5 s SER 16 Cb 0.05 -0.58 -0.05 0.00 0.21 0.00 0.00 66.02 65.65 3it5 s SER 16 CO 0.14 -0.10 -0.01 0.26 0.41 0.00 0.00 173.24 173.94 3it5 s TRP 17 N 1.41 2.55 -0.32 2.43 0.52 -1.18 -4.69 118.94 119.65 3it5 s TRP 17 Ca -0.03 -0.39 -0.14 0.00 0.02 0.00 0.00 56.10 55.56 3it5 s TRP 17 Cb -0.13 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.77 3it5 s TRP 17 CO -0.03 0.52 0.33 -0.65 0.02 0.00 0.00 176.95 177.14 3it5 s GLN 18 N -3.69 3.70 0.36 4.98 -0.21 0.98 -0.30 119.66 125.47 3it5 s GLN 18 Ca 0.34 -0.33 -0.17 0.00 0.02 0.00 0.00 55.36 55.22 3it5 s GLN 18 Cb -0.02 -3.76 -0.09 0.00 1.00 0.00 0.00 33.01 30.14 3it5 s GLN 18 CO 0.19 -0.43 0.80 -1.25 -2.12 0.00 0.00 175.29 172.48 3it5 s PRO 19 N 1.97 4.06 0.06 2.91 0.04 -1.26 -2.81 135.00 139.98 3it5 s PRO 19 Ca 0.11 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.96 3it5 s PRO 19 Cb -0.16 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.03 3it5 s PRO 19 CO 0.11 0.09 0.08 0.27 0.04 0.00 0.00 177.00 177.60 3it5 n ASN 20 N -0.48 0.29 -4.77 6.66 6.94 -0.72 -0.76 115.26 122.42 3it5 n ASN 20 Ca 0.05 -1.17 -0.37 0.00 -0.02 0.00 0.00 54.58 53.06 3it5 n ASN 20 Cb 0.53 -0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 37.88 3it5 n ASN 20 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3it5 s GLY 21 N -2.25 2.81 0.65 4.83 0.00 -1.26 -4.55 107.32 107.55 3it5 s GLY 21 Ca 0.06 0.84 -0.18 0.00 0.00 0.00 0.00 44.72 45.45 3it5 s GLY 21 CO 0.04 1.32 1.28 0.00 0.00 0.00 0.00 173.10 175.73 3it5 s ALA 22 N -1.52 2.36 0.31 3.20 0.00 -1.26 -4.30 121.76 120.54 3it5 s ALA 22 Ca 0.57 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 53.51 3it5 s ALA 22 Cb -0.27 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.37 3it5 s ALA 22 CO 0.33 -1.60 0.82 -3.38 0.00 0.00 0.00 175.76 171.94 3it5 s HIS 23 N -1.48 0.02 0.96 0.00 -3.43 0.58 -0.59 115.29 111.34 3it5 s HIS 23 Ca 0.81 -0.57 -0.14 0.00 -0.80 0.00 0.00 55.06 54.35 3it5 s HIS 23 Cb -0.36 0.77 0.17 0.00 -1.43 0.00 0.00 32.58 31.74 3it5 s HIS 23 CO 0.40 -1.34 1.19 -1.54 -2.00 0.00 0.00 174.74 171.45 3it5 s SER 24 N -3.07 3.08 0.26 7.38 1.04 -1.26 -0.62 113.70 120.51 3it5 s SER 24 Ca 0.15 0.69 -0.05 0.00 0.48 0.00 0.00 55.95 57.22 3it5 s SER 24 Cb -0.05 -1.05 0.31 0.00 0.10 0.00 0.00 66.02 65.33 3it5 s SER 24 CO 0.09 -2.79 1.92 -1.13 0.98 0.00 0.00 173.24 172.30 3it5 h ASN 25 N -1.67 1.12 0.38 7.02 -1.24 -1.93 -3.16 115.58 116.09 3it5 h ASN 25 Ca -0.47 -0.02 -0.31 0.00 0.71 0.00 0.00 56.30 56.21 3it5 h ASN 25 Cb 1.30 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 40.03 3it5 h ASN 25 CO 0.51 0.78 -1.86 0.35 -1.29 0.00 0.00 177.43 175.92 3it5 n THR 26 N -4.41 1.57 0.00 -3.57 -2.24 -1.26 -5.01 114.28 99.35 3it5 n THR 26 Ca 0.13 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3it5 n THR 26 Cb 0.06 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 3it5 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3it5 n GLY 27 N 1.60 1.31 0.00 3.38 0.00 -1.20 -4.92 105.19 105.36 3it5 n GLY 27 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3it5 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3it5 n SER 28 N 0.00 0.08 -2.34 1.61 3.41 -1.26 -4.74 113.62 110.39 3it5 n SER 28 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 3it5 n SER 28 Cb 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3it5 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3it5 n GLY 29 N 0.26 0.84 3.64 5.00 0.00 -1.26 -5.02 105.19 108.66 3it5 n GLY 29 Ca 0.00 -1.45 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 3it5 n GLY 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3it5 s TYR 30 N 0.00 -0.38 0.55 1.61 5.04 -1.26 -4.67 117.35 118.24 3it5 s TYR 30 Ca 0.00 0.88 -0.05 0.00 -2.44 0.00 0.00 57.07 55.45 3it5 s TYR 30 Cb 0.00 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.68 3it5 s TYR 30 CO 0.00 -0.18 0.86 -1.25 -1.34 0.00 0.00 175.55 173.63 3it5 s PRO 31 N 0.42 3.11 -1.23 4.97 0.04 -1.26 -5.03 135.00 136.03 3it5 s PRO 31 Ca 0.01 0.04 -0.20 0.00 0.04 0.00 0.00 61.00 60.89 3it5 s PRO 31 Cb -0.05 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3it5 s PRO 31 CO -0.10 -0.53 1.81 0.71 0.04 0.00 0.00 177.00 178.93 3it5 s TYR 32 N -2.90 2.40 -2.17 0.56 2.02 -1.26 -4.19 117.35 111.81 3it5 s TYR 32 Ca 0.52 -0.67 0.26 0.00 -0.37 0.00 0.00 57.07 56.81 3it5 s TYR 32 Cb -0.10 -4.42 0.56 0.00 -0.40 0.00 0.00 41.96 37.59 3it5 s TYR 32 CO 0.45 -1.56 1.45 -1.13 -1.57 0.00 0.00 175.55 173.18 3it5 n SER 33 N 11.04 1.66 -4.12 2.29 3.41 -0.83 -1.04 113.62 126.04 3it5 n SER 33 Ca 0.46 -1.34 -0.19 0.00 -0.26 0.00 0.00 58.87 57.54 3it5 n SER 33 Cb 0.46 0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 64.45 3it5 n SER 33 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3it5 s SER 34 N -2.31 1.48 0.06 4.04 0.01 0.21 -1.12 113.70 116.07 3it5 s SER 34 Ca 0.27 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.12 3it5 s SER 34 Cb 0.19 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 3it5 s SER 34 CO 0.46 0.02 -0.07 0.72 0.41 0.00 0.00 173.24 174.77 3it5 s PHE 35 N -0.82 0.72 0.13 2.43 -0.12 -0.23 -0.31 117.98 119.78 3it5 s PHE 35 Ca 0.00 -0.63 0.02 0.00 -0.05 0.00 0.00 56.93 56.27 3it5 s PHE 35 Cb -0.07 -0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 3it5 s PHE 35 CO 0.01 -0.11 0.24 -0.51 -0.05 0.00 0.00 175.22 174.80 3it5 s ASP 36 N -2.03 6.20 -0.05 1.98 1.01 -1.26 -1.33 116.67 121.19 3it5 s ASP 36 Ca -0.03 0.15 -0.07 0.00 0.71 0.00 0.00 52.55 53.31 3it5 s ASP 36 Cb -0.05 -1.84 0.01 0.00 1.01 0.00 0.00 42.92 42.05 3it5 s ASP 36 CO -0.01 0.09 0.17 0.00 0.21 0.00 0.00 175.17 175.62 3it5 s ALA 37 N -1.68 -0.42 -0.02 5.23 0.00 -0.33 -1.75 121.76 122.79 3it5 s ALA 37 Ca 0.34 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.45 3it5 s ALA 37 Cb -0.11 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.85 3it5 s ALA 37 CO 0.27 -0.11 0.47 0.45 0.00 0.00 0.00 175.76 176.84 3it5 s SER 38 N -0.24 -0.39 0.06 0.00 0.15 -1.12 0.24 113.70 112.40 3it5 s SER 38 Ca -0.03 0.31 -0.18 0.00 0.70 0.00 0.00 55.95 56.75 3it5 s SER 38 Cb -0.03 0.42 -0.12 0.00 -1.71 0.00 0.00 66.02 64.59 3it5 s SER 38 CO 0.01 -0.55 1.39 0.22 1.20 0.00 0.00 173.24 175.50 3it5 h TYR 39 N 3.37 0.57 0.00 3.44 3.20 -1.87 0.28 116.97 125.95 3it5 h TYR 39 Ca -0.29 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3it5 h TYR 39 Cb 1.17 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.32 3it5 h TYR 39 CO 0.45 0.82 0.00 -0.40 -1.64 0.00 0.00 178.16 177.38 3it5 n ASP 40 N -4.47 0.56 -3.91 -2.11 5.75 -1.26 -4.29 116.55 106.82 3it5 n ASP 40 Ca -0.05 -1.25 -0.35 0.00 -0.01 0.00 0.00 54.79 53.14 3it5 n ASP 40 Cb 0.38 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.48 3it5 n ASP 40 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3it5 n TRP 41 N -0.12 -1.47 -2.32 2.11 7.02 -1.26 -4.93 117.44 116.47 3it5 n TRP 41 Ca 0.00 0.33 -0.26 0.00 -1.02 0.00 0.00 57.50 56.55 3it5 n TRP 41 Cb 0.37 -2.47 0.14 0.00 -2.42 0.00 0.00 31.31 26.93 3it5 n TRP 41 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3it5 s PRO 42 N -6.22 1.26 0.68 -0.99 0.04 -1.26 -4.98 135.00 123.53 3it5 s PRO 42 Ca 0.27 -0.82 -0.11 0.00 0.04 0.00 0.00 61.00 60.38 3it5 s PRO 42 Cb -0.15 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 3it5 s PRO 42 CO 0.85 -1.84 1.05 1.03 0.04 0.00 0.00 177.00 178.14 3it5 s ARG 43 N -5.45 3.10 0.49 4.56 0.52 -1.26 -3.96 118.95 116.95 3it5 s ARG 43 Ca 0.69 0.90 -0.23 0.00 -0.52 0.00 0.00 55.73 56.57 3it5 s ARG 43 Cb -0.05 -2.01 -0.08 0.00 0.52 0.00 0.00 34.95 33.33 3it5 s ARG 43 CO 0.48 -0.97 1.20 0.91 0.02 0.00 0.00 175.30 176.94 3it5 n TRP 44 N -3.03 1.79 0.00 -0.53 7.02 -1.26 -3.12 117.44 118.31 3it5 n TRP 44 Ca 0.07 0.48 0.00 0.00 -1.02 0.00 0.00 57.50 57.03 3it5 n TRP 44 Cb 0.54 -2.31 0.00 0.00 -2.42 0.00 0.00 31.31 27.12 3it5 n TRP 44 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3it5 n GLY 45 N 0.94 3.38 3.77 6.99 0.00 0.85 -5.03 105.19 116.10 3it5 n GLY 45 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3it5 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3it5 s SER 46 N -0.80 4.48 0.38 1.61 0.01 -1.18 -4.99 113.70 113.21 3it5 s SER 46 Ca 0.00 1.66 -0.27 0.00 1.31 0.00 0.00 55.95 58.65 3it5 s SER 46 Cb 0.00 -2.40 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 3it5 s SER 46 CO 0.00 -2.03 1.35 0.00 0.41 0.00 0.00 173.24 172.98 3it5 s ALA 47 N -2.97 3.40 0.51 1.44 0.00 -1.26 -4.72 121.76 118.16 3it5 s ALA 47 Ca 0.61 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.93 3it5 s ALA 47 Cb -0.16 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 3it5 s ALA 47 CO 0.56 -0.85 0.11 0.95 0.00 0.00 0.00 175.76 176.53 3it5 s THR 48 N -1.19 1.34 0.22 0.00 -4.23 -1.26 -5.03 115.64 105.50 3it5 s THR 48 Ca 0.54 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3it5 s THR 48 Cb -0.41 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 3it5 s THR 48 CO 0.54 0.00 0.07 -0.31 -0.54 0.00 0.00 174.62 174.38 3it5 s TYR 49 N -2.84 1.37 -0.09 3.99 2.02 -1.26 -4.96 117.35 115.57 3it5 s TYR 49 Ca 0.15 -1.16 -0.30 0.00 -0.37 0.00 0.00 57.07 55.39 3it5 s TYR 49 Cb 0.01 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.75 3it5 s TYR 49 CO 0.09 -0.34 1.54 -1.12 -1.57 0.00 0.00 175.55 174.14 3it5 s SER 50 N -3.24 6.74 0.06 2.29 0.01 -1.26 -3.00 113.70 115.30 3it5 s SER 50 Ca 0.33 2.06 -0.24 0.00 1.31 0.00 0.00 55.95 59.41 3it5 s SER 50 Cb 0.07 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 3it5 s SER 50 CO 0.10 -0.88 0.72 -0.69 0.41 0.00 0.00 173.24 172.90 3it5 s VAL 51 N 3.91 4.69 0.10 3.43 1.01 0.28 -4.21 120.40 129.60 3it5 s VAL 51 Ca 0.68 1.54 0.08 0.00 0.00 0.00 0.00 61.98 64.28 3it5 s VAL 51 Cb -0.30 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3it5 s VAL 51 CO 0.25 0.42 -0.20 0.68 0.00 0.00 0.00 175.10 176.25 3it5 s VAL 52 N -0.40 1.63 0.14 2.92 -7.23 0.68 -0.63 120.40 117.51 3it5 s VAL 52 Ca 0.36 -1.52 -0.35 0.00 -1.81 0.00 0.00 61.98 58.66 3it5 s VAL 52 Cb -0.21 -1.50 -0.15 0.00 0.56 0.00 0.00 36.38 35.09 3it5 s VAL 52 CO 0.22 -0.09 1.45 0.00 -0.31 0.00 0.00 175.10 176.38 3it5 n ALA 53 N 1.10 0.35 0.11 1.32 0.00 0.21 -4.43 120.51 119.17 3it5 n ALA 53 Ca -0.20 0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.69 3it5 n ALA 53 Cb 0.54 -2.22 0.05 0.00 0.00 0.00 0.00 19.45 17.82 3it5 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3it5 h ALA 54 N 5.11 0.69 -2.82 0.00 0.00 -1.86 -0.30 119.26 120.08 3it5 h ALA 54 Ca -0.46 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 53.70 3it5 h ALA 54 Cb 1.29 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 3it5 h ALA 54 CO 0.82 0.93 -0.16 -3.38 0.00 0.00 0.00 179.25 177.47 3it5 s HIS 55 N -3.18 0.43 0.49 0.00 -3.43 -1.26 -0.71 115.29 107.63 3it5 s HIS 55 Ca 0.00 -0.78 -0.22 0.00 -0.80 0.00 0.00 55.06 53.26 3it5 s HIS 55 Cb 0.11 0.13 -0.07 0.00 -1.43 0.00 0.00 32.58 31.32 3it5 s HIS 55 CO 0.78 -0.97 1.15 0.00 -2.00 0.00 0.00 174.74 173.70 3it5 s ALA 56 N -4.01 2.88 0.00 -1.38 0.00 -1.26 -3.80 121.76 114.18 3it5 s ALA 56 Ca 0.24 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3it5 s ALA 56 Cb -0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3it5 s ALA 56 CO 0.09 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3it5 n GLY 57 N 0.34 -0.37 3.71 0.00 0.00 -0.97 -4.11 105.19 103.79 3it5 n GLY 57 Ca 0.09 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 3it5 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3it5 s THR 58 N -3.35 4.44 -0.00 2.61 2.01 0.68 -1.93 115.64 120.11 3it5 s THR 58 Ca 0.00 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 3it5 s THR 58 Cb 0.00 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3it5 s THR 58 CO 0.00 0.58 0.57 -0.69 -0.69 0.00 0.00 174.62 174.39 3it5 s VAL 59 N -0.93 4.91 -0.08 3.82 1.01 0.36 -1.32 120.40 128.17 3it5 s VAL 59 Ca 0.14 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.33 3it5 s VAL 59 Cb -0.11 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3it5 s VAL 59 CO 0.03 0.45 -0.15 -0.60 0.00 0.00 0.00 175.10 174.83 3it5 s ARG 60 N -0.34 2.11 -0.82 2.72 6.06 0.32 -0.18 118.95 128.82 3it5 s ARG 60 Ca 0.30 -0.55 -0.18 0.00 -2.50 0.00 0.00 55.73 52.80 3it5 s ARG 60 Cb -0.18 -1.72 0.14 0.00 0.06 0.00 0.00 34.95 33.25 3it5 s ARG 60 CO 0.17 0.03 0.95 0.08 -2.50 0.00 0.00 175.30 174.03 3it5 s VAL 61 N 0.70 4.92 0.21 7.11 1.01 -1.26 -0.80 120.40 132.29 3it5 s VAL 61 Ca -0.13 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.17 3it5 s VAL 61 Cb -0.16 -4.65 0.16 0.00 0.00 0.00 0.00 36.38 31.73 3it5 s VAL 61 CO 0.03 -1.32 1.80 -0.07 0.00 0.00 0.00 175.10 175.54 3it5 h LEU 62 N 9.78 1.04 0.00 3.92 3.38 -1.49 -3.47 115.31 128.47 3it5 h LEU 62 Ca 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3it5 h LEU 62 Cb 1.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3it5 h LEU 62 CO 1.03 0.89 0.03 -1.54 0.09 0.00 0.00 178.44 178.94 3it5 n SER 63 N -4.35 -0.28 0.02 -0.43 3.41 -0.87 -4.94 113.62 106.19 3it5 n SER 63 Ca 0.07 -1.20 0.08 0.00 -0.26 0.00 0.00 58.87 57.56 3it5 n SER 63 Cb 0.14 0.46 0.34 0.00 -0.26 0.00 0.00 64.21 64.90 3it5 n SER 63 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3it5 n ARG 64 N -0.07 0.04 -0.08 4.33 0.63 -1.26 -3.17 116.66 117.07 3it5 n ARG 64 Ca -0.01 0.28 0.01 0.00 -0.92 0.00 0.00 57.85 57.21 3it5 n ARG 64 Cb 0.07 -1.57 0.02 0.00 0.45 0.00 0.00 32.46 31.44 3it5 n ARG 64 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3it5 s GLN 66 N -0.70 0.13 0.04 0.00 0.74 -1.19 -1.12 119.66 117.57 3it5 s GLN 66 Ca 0.04 0.35 0.05 0.00 0.05 0.00 0.00 55.36 55.86 3it5 s GLN 66 Cb 0.04 -0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.02 3it5 s GLN 66 CO 0.00 -0.13 -0.15 0.08 -0.55 0.00 0.00 175.29 174.55 3it5 s VAL 67 N 0.91 1.19 -0.03 1.34 1.01 -0.82 -1.17 120.40 122.84 3it5 s VAL 67 Ca -0.07 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 60.90 3it5 s VAL 67 Cb -0.09 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3it5 s VAL 67 CO -0.05 0.01 -0.16 -0.60 0.00 0.00 0.00 175.10 174.30 3it5 s ARG 68 N -1.21 1.51 -0.12 2.72 6.06 0.02 -0.71 118.95 127.23 3it5 s ARG 68 Ca 0.02 -0.59 0.01 0.00 -2.50 0.00 0.00 55.73 52.67 3it5 s ARG 68 Cb -0.08 -1.39 0.02 0.00 0.06 0.00 0.00 34.95 33.56 3it5 s ARG 68 CO 0.01 0.30 -0.12 0.08 -2.50 0.00 0.00 175.30 173.07 3it5 s VAL 69 N -0.18 1.33 -0.11 7.11 1.01 0.02 -0.52 120.40 129.05 3it5 s VAL 69 Ca 0.02 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3it5 s VAL 69 Cb -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3it5 s VAL 69 CO 0.01 0.41 -0.23 -0.89 0.00 0.00 0.00 175.10 174.40 3it5 s THR 70 N 1.35 2.12 0.14 3.92 2.01 -0.43 -0.75 115.64 124.00 3it5 s THR 70 Ca 0.00 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 60.90 3it5 s THR 70 Cb -0.14 -1.82 -0.07 0.00 0.01 0.00 0.00 72.50 70.49 3it5 s THR 70 CO -0.06 0.55 0.50 -2.28 -0.69 0.00 0.00 174.62 172.64 3it5 s HIS 71 N 0.48 3.57 0.15 4.92 5.04 0.64 -0.23 115.29 129.86 3it5 s HIS 71 Ca -0.15 0.93 0.30 0.00 -1.54 0.00 0.00 55.06 54.61 3it5 s HIS 71 Cb -0.17 -2.28 1.66 0.00 0.04 0.00 0.00 32.58 31.83 3it5 s HIS 71 CO 0.06 0.43 1.93 -1.35 -2.34 0.00 0.00 174.74 173.47 3it5 h PRO 72 N 3.41 0.00 -0.01 2.88 0.11 -1.87 -0.79 132.00 135.74 3it5 h PRO 72 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3it5 h PRO 72 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3it5 h PRO 72 CO 0.67 0.00 -0.04 0.43 -0.21 0.00 0.00 178.00 178.85 3it5 n SER 73 N -2.58 0.71 0.00 -2.05 7.64 -1.26 -4.92 113.62 111.15 3it5 n SER 73 Ca -0.02 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.80 3it5 n SER 73 Cb 0.06 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 3it5 n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3it5 n GLY 74 N 1.15 0.46 3.77 0.23 0.00 -0.30 -4.97 105.19 105.53 3it5 n GLY 74 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3it5 n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3it5 s TRP 75 N -2.00 3.62 0.07 1.61 0.52 -1.25 -0.76 118.94 120.76 3it5 s TRP 75 Ca 0.00 1.76 -0.14 0.00 0.02 0.00 0.00 56.10 57.73 3it5 s TRP 75 Cb 0.00 -3.04 0.02 0.00 -1.15 0.00 0.00 33.47 29.30 3it5 s TRP 75 CO 0.00 -0.08 0.34 0.00 0.02 0.00 0.00 176.95 177.23 3it5 s ALA 76 N -1.48 -0.75 0.08 0.98 0.00 -0.19 -0.26 121.76 120.14 3it5 s ALA 76 Ca 0.50 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.45 3it5 s ALA 76 Cb -0.23 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 3it5 s ALA 76 CO 0.29 -0.50 -0.13 0.95 0.00 0.00 0.00 175.76 176.36 3it5 s THR 77 N -3.11 1.05 0.04 0.00 -4.23 0.07 -1.20 115.64 108.26 3it5 s THR 77 Ca -0.01 -1.35 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 3it5 s THR 77 Cb 0.01 -1.09 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 3it5 s THR 77 CO -0.07 -0.29 -0.19 0.21 -0.54 0.00 0.00 174.62 173.74 3it5 s ASN 78 N -1.86 2.24 -0.25 3.99 2.47 -0.92 -0.80 114.94 119.82 3it5 s ASN 78 Ca -0.01 -0.49 -0.01 0.00 0.42 0.00 0.00 52.86 52.77 3it5 s ASN 78 Cb -0.09 -0.18 0.07 0.00 -1.45 0.00 0.00 41.25 39.60 3it5 s ASN 78 CO 0.02 0.13 0.03 -0.31 -3.72 0.00 0.00 177.10 173.26 3it5 s TYR 79 N -0.78 1.71 0.24 0.43 1.51 0.12 -2.20 117.35 118.37 3it5 s TYR 79 Ca 0.06 -1.47 0.08 0.00 -1.01 0.00 0.00 57.07 54.74 3it5 s TYR 79 Cb -0.08 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 3it5 s TYR 79 CO 0.01 -0.76 0.05 -0.47 -1.11 0.00 0.00 175.55 173.28 3it5 s TYR 80 N 1.62 2.84 -1.07 2.71 5.04 -0.15 -1.94 117.35 126.39 3it5 s TYR 80 Ca 0.02 -0.17 -0.01 0.00 -2.44 0.00 0.00 57.07 54.46 3it5 s TYR 80 Cb -0.18 -1.29 0.00 0.00 0.35 0.00 0.00 41.96 40.84 3it5 s TYR 80 CO -0.13 0.57 0.17 0.72 -1.34 0.00 0.00 175.55 175.54 3it5 n HIS 81 N -0.76 -0.90 -1.62 4.97 8.25 -0.86 -1.41 115.22 122.89 3it5 n HIS 81 Ca -0.08 0.15 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 3it5 n HIS 81 Cb 0.58 -3.04 0.06 0.00 1.12 0.00 0.00 29.99 28.71 3it5 n HIS 81 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3it5 s MET 82 N -4.93 2.65 0.08 -0.41 -1.94 -0.27 0.12 119.30 114.60 3it5 s MET 82 Ca 0.08 0.76 -0.18 0.00 -1.71 0.00 0.00 55.69 54.64 3it5 s MET 82 Cb -0.04 -1.97 0.04 0.00 2.01 0.00 0.00 34.83 34.87 3it5 s MET 82 CO 0.10 -1.25 0.43 0.34 -0.01 0.00 0.00 175.02 174.63 3it5 s ASP 83 N -3.93 -0.29 -1.49 3.03 -1.08 0.21 -4.24 116.67 108.87 3it5 s ASP 83 Ca 0.59 -0.12 -0.03 0.00 -0.52 0.00 0.00 52.55 52.48 3it5 s ASP 83 Cb -0.14 0.46 0.02 0.00 -1.46 0.00 0.00 42.92 41.81 3it5 s ASP 83 CO 0.54 -0.77 0.34 0.00 0.52 0.00 0.00 175.17 175.81 3it5 n GLN 84 N 0.14 -2.54 -1.69 4.34 6.02 -1.26 -2.13 117.38 120.26 3it5 n GLN 84 Ca -0.17 0.30 -0.44 0.00 -0.01 0.00 0.00 57.00 56.68 3it5 n GLN 84 Cb 0.62 -4.32 -0.04 0.00 1.02 0.00 0.00 30.24 27.52 3it5 n GLN 84 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3it5 n ILE 85 N -4.44 0.04 -0.01 5.09 5.41 -1.26 -4.42 119.36 119.76 3it5 n ILE 85 Ca -0.26 -0.01 0.01 0.00 1.00 0.00 0.00 62.75 63.49 3it5 n ILE 85 Cb 0.66 -1.77 0.03 0.00 -0.71 0.00 0.00 39.64 37.86 3it5 n ILE 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3it5 n GLN 86 N 3.87 2.14 -2.92 0.38 10.64 0.63 -4.98 117.38 127.15 3it5 n GLN 86 Ca 0.17 -1.41 -0.19 0.00 -1.83 0.00 0.00 57.00 53.74 3it5 n GLN 86 Cb 0.32 -1.06 0.03 0.00 -0.86 0.00 0.00 30.24 28.67 3it5 n GLN 86 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 3it5 s VAL 87 N -0.82 2.70 0.22 -0.39 -7.23 -1.24 -5.02 120.40 108.61 3it5 s VAL 87 Ca 0.05 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.38 3it5 s VAL 87 Cb 0.03 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 3it5 s VAL 87 CO 0.04 0.00 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.28 3it5 s SER 88 N -4.46 2.44 0.28 4.85 0.01 -1.26 -5.00 113.70 110.57 3it5 s SER 88 Ca 0.58 -1.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 3it5 s SER 88 Cb -0.09 -0.11 -0.12 0.00 0.21 0.00 0.00 66.02 65.91 3it5 s SER 88 CO 0.36 -0.27 1.52 0.59 0.41 0.00 0.00 173.24 175.85 3it5 n ASN 89 N -0.41 3.46 0.00 2.44 3.02 -1.26 -2.51 115.26 120.01 3it5 n ASN 89 Ca -0.07 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 3it5 n ASN 89 Cb 0.61 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 3it5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it5 n GLY 90 N 2.02 0.61 3.78 7.41 0.00 0.75 -4.98 105.19 114.79 3it5 n GLY 90 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3it5 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3it5 s GLN 91 N -0.25 4.11 -0.25 1.61 0.74 -1.04 -4.71 119.66 119.86 3it5 s GLN 91 Ca 0.00 1.50 -0.13 0.00 0.05 0.00 0.00 55.36 56.78 3it5 s GLN 91 Cb 0.00 -2.48 -0.04 0.00 1.10 0.00 0.00 33.01 31.59 3it5 s GLN 91 CO 0.00 -0.19 0.27 -0.65 -0.55 0.00 0.00 175.29 174.17 3it5 s GLN 92 N -2.60 4.04 0.39 1.67 -1.52 -1.26 -0.49 119.66 119.88 3it5 s GLN 92 Ca 0.59 -0.12 0.04 0.00 -1.95 0.00 0.00 55.36 53.92 3it5 s GLN 92 Cb -0.21 -3.61 -0.05 0.00 -0.22 0.00 0.00 33.01 28.92 3it5 s GLN 92 CO 0.27 -0.12 0.05 0.14 -0.25 0.00 0.00 175.29 175.38 3it5 s VAL 93 N 1.59 1.23 0.27 1.09 -7.23 -0.81 -5.02 120.40 111.52 3it5 s VAL 93 Ca 0.11 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 3it5 s VAL 93 Cb -0.15 -2.65 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 3it5 s VAL 93 CO 0.08 0.00 0.01 -0.44 -0.31 0.00 0.00 175.10 174.45 3it5 s SER 94 N -3.62 2.14 0.25 4.85 0.01 -1.26 -2.28 113.70 113.80 3it5 s SER 94 Ca 0.29 -1.28 -0.28 0.00 1.31 0.00 0.00 55.95 56.00 3it5 s SER 94 Cb 0.07 -0.04 -0.15 0.00 0.21 0.00 0.00 66.02 66.10 3it5 s SER 94 CO 0.14 -0.53 0.76 0.00 0.41 0.00 0.00 173.24 174.02 3it5 n ALA 95 N -0.54 -1.52 0.00 1.44 0.00 -1.25 -1.27 120.51 117.38 3it5 n ALA 95 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3it5 n ALA 95 Cb 0.65 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3it5 n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3it5 n ASP 96 N 1.59 0.00 -4.68 0.00 2.03 -0.12 -4.95 116.55 110.42 3it5 n ASP 96 Ca 0.14 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 3it5 n ASP 96 Cb 0.29 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.66 3it5 n ASP 96 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3it5 s THR 97 N -2.40 3.04 0.28 5.18 2.01 -0.39 -4.69 115.64 118.66 3it5 s THR 97 Ca 0.00 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 3it5 s THR 97 Cb 0.00 -3.23 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 3it5 s THR 97 CO 0.00 -0.01 1.42 -0.75 -0.69 0.00 0.00 174.62 174.59 3it5 s LYS 98 N 3.23 4.26 -0.22 4.92 2.20 -1.26 -0.62 119.74 132.24 3it5 s LYS 98 Ca 0.78 2.32 0.08 0.00 -0.36 0.00 0.00 55.97 58.79 3it5 s LYS 98 Cb -0.40 -3.08 -0.19 0.00 -1.51 0.00 0.00 37.83 32.64 3it5 s LYS 98 CO 0.34 -0.39 -0.10 1.28 -0.36 0.00 0.00 175.35 176.12 3it5 n LEU 99 N 1.84 1.77 0.00 5.43 4.77 0.19 -4.65 117.00 126.35 3it5 n LEU 99 Ca 0.05 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3it5 n LEU 99 Cb 0.40 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3it5 n LEU 99 CO 0.61 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 3it5 n GLY 100 N 2.12 -0.56 3.50 -0.72 0.00 -1.15 -0.27 105.19 108.11 3it5 n GLY 100 Ca -0.39 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 3it5 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3it5 s VAL 101 N -4.00 2.33 0.37 1.61 -7.23 -0.91 0.99 120.40 113.57 3it5 s VAL 101 Ca 0.00 -2.30 -0.24 0.00 -1.81 0.00 0.00 61.98 57.62 3it5 s VAL 101 Cb 0.00 -2.46 -0.10 0.00 0.56 0.00 0.00 36.38 34.38 3it5 s VAL 101 CO 0.00 -0.31 0.98 -0.72 -0.31 0.00 0.00 175.10 174.75 3it5 s TYR 102 N -2.58 3.47 0.30 2.82 -0.85 -1.16 -0.62 117.35 118.73 3it5 s TYR 102 Ca 0.31 1.70 -0.29 0.00 -0.52 0.00 0.00 57.07 58.27 3it5 s TYR 102 Cb -0.01 -2.99 -0.10 0.00 0.38 0.00 0.00 41.96 39.24 3it5 s TYR 102 CO 0.15 -0.15 1.43 0.00 -1.52 0.00 0.00 175.55 175.46 3it5 s ALA 103 N -1.73 3.59 -0.56 9.51 0.00 0.32 -4.53 121.76 128.37 3it5 s ALA 103 Ca 0.55 1.39 0.24 0.00 0.00 0.00 0.00 51.96 54.14 3it5 s ALA 103 Cb -0.18 -3.56 0.41 0.00 0.00 0.00 0.00 23.12 19.79 3it5 s ALA 103 CO 0.23 -0.81 1.45 0.78 0.00 0.00 0.00 175.76 177.41 3it5 h GLY 104 N 4.11 0.00 -3.33 0.00 0.00 -1.89 -3.40 103.07 98.56 3it5 h GLY 104 Ca -0.48 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.47 3it5 h GLY 104 CO 0.72 0.00 -0.74 -1.31 0.00 0.00 0.00 176.54 175.20 3it5 s ASN 105 N -4.87 1.93 0.14 0.19 0.01 -1.26 -0.10 114.94 110.98 3it5 s ASN 105 Ca 0.06 -0.88 -0.10 0.00 -0.71 0.00 0.00 52.86 51.24 3it5 s ASN 105 Cb 0.11 -0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.68 3it5 s ASN 105 CO 0.69 -0.21 1.45 -0.29 -1.51 0.00 0.00 177.10 177.23 3it5 h ILE 106 N 3.25 1.28 -0.72 0.60 2.10 -1.99 -1.89 117.51 120.14 3it5 h ILE 106 Ca -0.38 -1.68 -0.02 0.00 1.08 0.00 0.00 64.86 63.85 3it5 h ILE 106 Cb 1.20 1.56 -0.03 0.00 -1.09 0.00 0.00 36.82 38.45 3it5 h ILE 106 CO 0.55 0.55 0.36 0.78 -1.08 0.00 0.00 178.15 179.30 3it5 h ASN 107 N 0.67 0.92 -0.02 2.19 4.21 -1.98 0.03 115.58 121.59 3it5 h ASN 107 Ca 0.03 -0.10 -0.15 0.00 1.21 0.00 0.00 56.30 57.29 3it5 h ASN 107 Cb 1.08 -0.24 0.01 0.00 -1.12 0.00 0.00 38.32 38.06 3it5 h ASN 107 CO 0.11 0.77 -0.59 0.74 -1.29 0.00 0.00 177.43 177.17 3it5 h THR 108 N 1.02 1.42 -0.89 2.81 2.02 -1.92 -1.33 112.91 116.04 3it5 h THR 108 Ca 0.25 -2.04 0.11 0.00 0.77 0.00 0.00 66.41 65.50 3it5 h THR 108 Cb 0.09 2.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.95 3it5 h THR 108 CO -0.03 0.60 0.52 0.00 0.37 0.00 0.00 175.52 176.98 3it5 h ALA 109 N 0.35 1.31 -0.54 6.16 0.00 -1.04 -2.36 119.26 123.14 3it5 h ALA 109 Ca -0.07 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 3it5 h ALA 109 Cb 1.29 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 3it5 h ALA 109 CO 0.12 0.12 0.14 1.28 0.00 0.00 0.00 179.25 180.91 3it5 n LEU 110 N -4.72 4.92 0.11 0.00 4.77 -0.03 -3.58 117.00 118.47 3it5 n LEU 110 Ca 0.16 -3.62 0.06 0.00 -0.03 0.00 0.00 56.01 52.58 3it5 n LEU 110 Cb 0.32 -0.69 0.31 0.00 -2.33 0.00 0.00 43.42 41.03 3it5 n LEU 110 CO 0.26 1.12 0.71 0.00 -1.33 0.00 0.00 177.39 178.15 3it5 n GLU 112 N -1.89 0.33 -3.91 0.00 1.02 -1.26 -5.01 120.64 109.91 3it5 n GLU 112 Ca -0.01 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3it5 n GLU 112 Cb 0.18 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 3it5 n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3it5 n GLY 113 N 2.34 -2.03 0.87 0.62 0.00 -0.82 -5.17 105.19 100.99 3it5 n GLY 113 Ca -0.28 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3it5 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3it5 n GLY 114 N -0.42 0.03 3.35 -0.02 0.00 -1.26 -4.78 105.19 102.08 3it5 n GLY 114 Ca 0.00 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 3it5 n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3it5 s SER 115 N -4.00 -0.40 0.02 1.61 0.15 -1.26 -5.05 113.70 104.77 3it5 s SER 115 Ca 0.00 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.15 3it5 s SER 115 Cb 0.00 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 3it5 s SER 115 CO 0.00 -0.40 -0.02 -0.55 1.20 0.00 0.00 173.24 173.47 3it5 s SER 116 N -0.82 0.25 0.00 5.45 0.15 -1.26 -5.04 113.70 112.42 3it5 s SER 116 Ca -0.09 -0.53 0.22 0.00 0.70 0.00 0.00 55.95 56.25 3it5 s SER 116 Cb -0.03 0.12 -0.07 0.00 -1.71 0.00 0.00 66.02 64.33 3it5 s SER 116 CO 0.05 -0.34 1.02 0.35 1.20 0.00 0.00 173.24 175.52 3it5 n THR 117 N 1.44 0.00 0.00 6.45 -2.24 -1.26 -5.06 114.28 113.61 3it5 n THR 117 Ca -0.23 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3it5 n THR 117 Cb 0.56 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3it5 n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3it5 n GLY 118 N 1.42 2.90 3.51 3.38 0.00 -1.26 -4.97 105.19 110.17 3it5 n GLY 118 Ca 0.08 -1.32 -0.53 0.00 0.00 0.00 0.00 46.02 44.25 3it5 n GLY 118 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3it5 n PRO 119 N -1.44 1.10 -3.59 1.61 -0.02 -1.25 -4.95 135.00 126.46 3it5 n PRO 119 Ca 0.00 0.34 -0.16 0.00 -2.02 0.00 0.00 63.50 61.65 3it5 n PRO 119 Cb 0.00 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 3it5 n PRO 119 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3it5 s HIS 120 N 6.15 -0.51 0.23 6.00 -3.43 -1.26 -4.42 115.29 118.04 3it5 s HIS 120 Ca 1.07 0.86 -0.30 0.00 -0.80 0.00 0.00 55.06 55.89 3it5 s HIS 120 Cb -0.94 0.32 -0.09 0.00 -1.43 0.00 0.00 32.58 30.44 3it5 s HIS 120 CO 0.54 -0.55 1.04 -1.17 -2.00 0.00 0.00 174.74 172.60 3it5 s LEU 121 N -1.27 4.56 -0.39 5.38 2.96 0.14 -4.65 118.68 125.40 3it5 s LEU 121 Ca -0.11 2.09 -0.11 0.00 -0.22 0.00 0.00 54.13 55.77 3it5 s LEU 121 Cb -0.01 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.11 3it5 s LEU 121 CO 0.08 -0.07 0.23 -2.28 -1.32 0.00 0.00 176.35 172.99 3it5 s HIS 122 N -0.82 3.27 -0.10 5.38 5.65 -0.50 -1.19 115.29 126.98 3it5 s HIS 122 Ca 0.45 -1.12 -0.01 0.00 0.25 0.00 0.00 55.06 54.62 3it5 s HIS 122 Cb -0.29 -2.62 -0.03 0.00 -1.18 0.00 0.00 32.58 28.46 3it5 s HIS 122 CO 0.36 -0.72 -0.03 0.12 -0.65 0.00 0.00 174.74 173.82 3it5 s PHE 123 N 1.52 3.06 0.04 3.88 5.36 -0.44 -0.98 117.98 130.42 3it5 s PHE 123 Ca 0.02 0.04 -0.04 0.00 -0.96 0.00 0.00 56.93 55.99 3it5 s PHE 123 Cb -0.21 -1.80 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 3it5 s PHE 123 CO 0.05 0.32 0.05 -1.12 -1.46 0.00 0.00 175.22 173.06 3it5 s SER 124 N -0.58 0.25 -0.03 6.13 0.01 -0.94 -1.06 113.70 117.48 3it5 s SER 124 Ca 0.09 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.75 3it5 s SER 124 Cb -0.12 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 3it5 s SER 124 CO 0.02 -0.48 -0.01 -0.22 0.41 0.00 0.00 173.24 172.96 3it5 s LEU 125 N -2.13 3.50 0.01 2.44 2.96 -0.28 -2.16 118.68 123.02 3it5 s LEU 125 Ca -0.05 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3it5 s LEU 125 Cb -0.01 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3it5 s LEU 125 CO -0.05 0.31 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.52 3it5 s LEU 126 N -1.32 2.14 -0.14 -0.68 1.02 -0.34 -2.56 118.68 116.80 3it5 s LEU 126 Ca 0.17 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.04 3it5 s LEU 126 Cb -0.11 0.07 0.01 0.00 0.02 0.00 0.00 46.19 46.17 3it5 s LEU 126 CO 0.07 -0.19 -0.21 -0.47 0.02 0.00 0.00 176.35 175.58 3it5 s TYR 127 N -0.90 2.67 -1.27 0.29 5.04 -0.12 -1.02 117.35 122.04 3it5 s TYR 127 Ca -0.10 -1.23 -0.07 0.00 -2.44 0.00 0.00 57.07 53.24 3it5 s TYR 127 Cb -0.06 -1.81 -0.01 0.00 0.35 0.00 0.00 41.96 40.43 3it5 s TYR 127 CO -0.01 -0.55 0.65 0.09 -1.34 0.00 0.00 175.55 174.40 3it5 n ASN 128 N 3.96 -2.38 0.00 4.32 3.02 0.06 -1.94 115.26 122.30 3it5 n ASN 128 Ca -0.20 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3it5 n ASN 128 Cb 0.52 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 3it5 n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it5 n GLY 129 N -1.71 0.12 3.49 7.41 0.00 -1.26 -4.96 105.19 108.28 3it5 n GLY 129 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3it5 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it5 s ALA 130 N -1.32 3.05 -0.01 4.61 0.00 -0.82 -5.07 121.76 122.20 3it5 s ALA 130 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 3it5 s ALA 130 Cb 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.38 3it5 s ALA 130 CO 0.00 0.07 1.78 -0.06 0.00 0.00 0.00 175.76 177.55 3it5 s PHE 131 N 0.61 1.75 0.07 0.00 0.40 -1.26 -0.95 117.98 118.59 3it5 s PHE 131 Ca -0.01 -0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.34 3it5 s PHE 131 Cb -0.14 -4.05 -0.03 0.00 0.51 0.00 0.00 43.02 39.31 3it5 s PHE 131 CO 0.02 -4.53 -0.21 0.14 0.70 0.00 0.00 175.22 171.35 3it5 s VAL 132 N 4.06 1.67 0.35 -0.44 -7.23 -1.06 -4.70 120.40 113.05 3it5 s VAL 132 Ca 0.79 -1.35 -0.27 0.00 -1.81 0.00 0.00 61.98 59.34 3it5 s VAL 132 Cb -0.38 -1.48 -0.12 0.00 0.56 0.00 0.00 36.38 34.96 3it5 s VAL 132 CO 0.34 0.08 1.16 -0.24 -0.31 0.00 0.00 175.10 176.13 3it5 n SER 133 N 1.50 2.08 0.20 4.85 2.88 -1.26 -4.25 113.62 119.62 3it5 n SER 133 Ca -0.18 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.59 3it5 n SER 133 Cb 0.53 -1.41 0.42 0.00 -0.75 0.00 0.00 64.21 63.01 3it5 n SER 133 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3it5 h LEU 134 N 2.18 0.00 -9.12 2.46 3.38 -1.35 -3.47 115.31 109.40 3it5 h LEU 134 Ca -0.44 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 56.79 3it5 h LEU 134 Cb 1.31 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.11 3it5 h LEU 134 CO 0.61 0.32 0.20 1.67 0.09 0.00 0.00 178.44 181.32 3it5 n GLN 135 N -3.62 0.50 -0.89 1.13 -0.06 -1.26 -0.59 117.38 112.58 3it5 n GLN 135 Ca -0.01 0.18 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 3it5 n GLN 135 Cb 0.44 -1.72 0.00 0.00 -4.06 0.00 0.00 30.24 24.90 3it5 n GLN 135 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3it5 n GLY 136 N 1.93 0.48 3.80 1.69 0.00 -0.86 -5.01 105.19 107.23 3it5 n GLY 136 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3it5 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it5 s ALA 137 N -2.30 3.28 -0.01 4.61 0.00 0.24 -4.83 121.76 122.74 3it5 s ALA 137 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.34 3it5 s ALA 137 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3it5 s ALA 137 CO 0.00 0.24 -0.14 -1.12 0.00 0.00 0.00 175.76 174.74 3it5 s SER 138 N -1.73 4.06 -0.29 0.00 0.01 -1.26 -0.62 113.70 113.87 3it5 s SER 138 Ca 0.49 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.52 3it5 s SER 138 Cb -0.16 -0.82 0.08 0.00 0.21 0.00 0.00 66.02 65.33 3it5 s SER 138 CO 0.21 0.31 -0.01 -0.36 0.41 0.00 0.00 173.24 173.80 3it5 s PHE 139 N -0.83 2.98 0.00 2.43 0.40 0.05 -4.54 117.98 118.47 3it5 s PHE 139 Ca 0.13 -2.33 0.00 0.00 -0.60 0.00 0.00 56.93 54.14 3it5 s PHE 139 Cb -0.11 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.26 3it5 s PHE 139 CO 0.03 -0.87 0.00 0.41 0.70 0.00 0.00 175.22 175.49 3it5 n GLY 140 N 4.49 3.87 0.07 4.36 0.00 -0.56 -1.24 105.19 116.18 3it5 n GLY 140 Ca -0.05 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3it5 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3it5 n PRO 141 N 14.00 0.38 -3.06 1.61 -0.04 -1.26 -4.44 135.00 142.19 3it5 n PRO 141 Ca 0.00 -0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 3it5 n PRO 141 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3it5 n PRO 141 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3it5 s TYR 142 N -2.71 2.97 -0.05 0.54 2.02 -0.37 -0.15 117.35 119.60 3it5 s TYR 142 Ca 0.22 -0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 56.27 3it5 s TYR 142 Cb 0.19 -3.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.01 3it5 s TYR 142 CO 0.53 -1.14 0.75 0.50 -1.57 0.00 0.00 175.55 174.63 3it5 s ARG 143 N 3.02 4.46 -0.03 -0.62 3.52 -0.16 -0.77 118.95 128.38 3it5 s ARG 143 Ca 0.19 0.98 -0.24 0.00 -0.13 0.00 0.00 55.73 56.54 3it5 s ARG 143 Cb -0.17 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 3it5 s ARG 143 CO 0.14 0.05 0.73 -1.50 -0.81 0.00 0.00 175.30 173.90 3it5 s ILE 144 N 0.83 4.93 -0.30 4.11 2.07 0.20 -0.34 121.20 132.71 3it5 s ILE 144 Ca 0.40 1.52 -0.01 0.00 -1.41 0.00 0.00 60.65 61.15 3it5 s ILE 144 Cb -0.18 -4.07 0.05 0.00 0.13 0.00 0.00 42.46 38.39 3it5 s ILE 144 CO 0.20 0.29 -0.01 0.21 -1.91 0.00 0.00 174.94 173.72 3it5 s ASN 145 N 0.49 4.86 0.62 4.50 2.47 -0.13 -2.02 114.94 125.73 3it5 s ASN 145 Ca 0.38 -1.27 -0.15 0.00 0.42 0.00 0.00 52.86 52.25 3it5 s ASN 145 Cb -0.19 -1.70 -0.02 0.00 -1.45 0.00 0.00 41.25 37.89 3it5 s ASN 145 CO 0.20 -0.25 1.07 -0.69 -3.72 0.00 0.00 177.10 173.71 3it5 s VAL 146 N 1.25 3.71 0.00 -5.21 1.01 -1.26 -1.44 120.40 118.46 3it5 s VAL 146 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3it5 s VAL 146 Cb -0.20 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3it5 s VAL 146 CO -0.01 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.18 3it5 n GLY 147 N -1.02 0.06 1.41 4.51 0.00 -1.26 -4.37 105.19 104.53 3it5 n GLY 147 Ca 0.09 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 3it5 n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3it5 n THR 148 N 0.00 2.47 0.00 2.61 -2.24 -1.26 -4.96 114.28 110.89 3it5 n THR 148 Ca 0.00 -3.63 0.00 0.00 -2.27 0.00 0.00 64.05 58.15 3it5 n THR 148 Cb 0.00 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 3it5 n THR 148 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3it5 n SER 149 N -0.92 0.00 -4.69 3.42 3.41 -1.26 -5.02 113.62 108.56 3it5 n SER 149 Ca 0.34 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.52 3it5 n SER 149 Cb 0.86 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.78 3it5 n SER 149 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3it5 n ASN 150 N 0.00 3.79 0.00 4.04 3.02 -1.26 -1.52 115.26 123.33 3it5 n ASN 150 Ca 0.00 1.01 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 3it5 n ASN 150 Cb 0.00 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 3it5 n ASN 150 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3it5 n TYR 151 N 5.20 0.00 -1.59 3.10 4.02 0.24 -4.96 117.16 123.16 3it5 n TYR 151 Ca 0.18 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.56 3it5 n TYR 151 Cb 0.35 -0.63 -0.06 0.00 -0.02 0.00 0.00 39.34 38.98 3it5 n TYR 151 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3it5 n ASP 152 N -0.12 2.64 -0.08 7.72 2.03 -0.58 -4.22 116.55 123.94 3it5 n ASP 152 Ca 0.00 0.73 0.05 0.00 0.52 0.00 0.00 54.79 56.09 3it5 n ASP 152 Cb 0.06 -1.28 0.07 0.00 -0.72 0.00 0.00 41.12 39.25 3it5 n ASP 152 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3it5 n ASN 153 N 7.91 1.85 -4.67 1.67 0.23 -1.26 -4.17 115.26 116.82 3it5 n ASN 153 Ca 0.32 -2.48 -0.42 0.00 -0.53 0.00 0.00 54.58 51.46 3it5 n ASN 153 Cb 0.23 -0.23 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 3it5 n ASN 153 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3it5 s ASP 154 N -1.87 6.92 0.00 0.53 -1.08 -1.26 -4.60 116.67 115.30 3it5 s ASP 154 Ca 0.16 1.88 0.16 0.00 -0.52 0.00 0.00 52.55 54.23 3it5 s ASP 154 Cb 0.14 -2.55 0.80 0.00 -1.46 0.00 0.00 42.92 39.86 3it5 s ASP 154 CO 0.01 -0.72 1.47 0.00 0.52 0.00 0.00 175.17 176.46 3it5 h ARG 156 N 0.00 0.00 0.00 0.00 3.08 -2.01 -3.39 114.38 112.06 3it5 h ARG 156 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3it5 h ARG 156 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3it5 h ARG 156 CO 0.00 0.00 -0.92 0.54 -1.07 0.00 0.00 179.97 178.52 3it5 n ARG 157 N -2.93 0.00 -3.91 0.04 1.74 -0.26 -5.03 116.66 106.32 3it5 n ARG 157 Ca 0.02 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 3it5 n ARG 157 Cb 0.38 -0.72 -0.10 0.00 -1.02 0.00 0.00 32.46 30.99 3it5 n ARG 157 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3it5 s TYR 158 N -1.96 3.22 0.06 -1.55 5.04 0.21 -3.98 117.35 118.39 3it5 s TYR 158 Ca 0.00 -0.01 -0.27 0.00 -2.44 0.00 0.00 57.07 54.34 3it5 s TYR 158 Cb 0.00 -2.15 0.09 0.00 0.35 0.00 0.00 41.96 40.26 3it5 s TYR 158 CO 0.00 0.02 1.15 1.52 -1.34 0.00 0.00 175.55 176.91 3it5 s TYR 159 N 0.77 -0.05 -0.24 4.97 -0.85 -0.52 -3.85 117.35 117.58 3it5 s TYR 159 Ca 0.04 -0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.40 3it5 s TYR 159 Cb -0.13 0.60 0.01 0.00 0.38 0.00 0.00 41.96 42.81 3it5 s TYR 159 CO 0.02 -0.53 -0.03 -0.06 -1.52 0.00 0.00 175.55 173.43 3it5 s PHE 160 N -2.62 3.02 -0.45 -3.49 0.08 0.86 -0.95 117.98 114.43 3it5 s PHE 160 Ca 0.16 -1.14 -0.20 0.00 0.12 0.00 0.00 56.93 55.87 3it5 s PHE 160 Cb 0.01 -2.11 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3it5 s PHE 160 CO -0.00 -0.61 0.61 -0.47 -0.10 0.00 0.00 175.22 174.64 3it5 s TYR 161 N 1.43 3.07 -0.74 0.36 5.04 0.54 -0.49 117.35 126.56 3it5 s TYR 161 Ca 0.04 -0.21 -0.26 0.00 -2.44 0.00 0.00 57.07 54.20 3it5 s TYR 161 Cb -0.15 -3.32 -0.03 0.00 0.35 0.00 0.00 41.96 38.81 3it5 s TYR 161 CO -0.03 -0.88 1.88 1.21 -1.34 0.00 0.00 175.55 176.39 3it5 s ASN 162 N 2.12 5.24 0.53 4.32 3.84 0.32 -0.99 114.94 130.33 3it5 s ASN 162 Ca 0.19 -0.13 0.19 0.00 0.21 0.00 0.00 52.86 53.33 3it5 s ASN 162 Cb -0.16 -2.54 1.38 0.00 -0.55 0.00 0.00 41.25 39.38 3it5 s ASN 162 CO 0.17 -2.52 2.16 1.56 -2.79 0.00 0.00 177.10 175.68 3it5 h GLN 163 N 13.28 0.00 0.11 0.43 4.20 -0.84 0.38 115.11 132.68 3it5 h GLN 163 Ca -0.10 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.43 3it5 h GLN 163 Cb 1.09 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.89 3it5 h GLN 163 CO 1.22 0.00 -0.81 0.66 -0.67 0.00 0.00 178.83 179.23 3it5 h SER 164 N 0.00 0.38 0.84 1.46 4.64 -1.89 -3.36 113.55 115.62 3it5 h SER 164 Ca 0.01 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 3it5 h SER 164 Cb 0.05 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3it5 h SER 164 CO -0.00 1.38 -0.60 0.00 -0.87 0.00 0.00 176.83 176.74 3it5 n ALA 165 N -2.73 2.96 -1.58 5.18 0.00 -1.08 -4.95 120.51 118.31 3it5 n ALA 165 Ca -0.16 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 3it5 n ALA 165 Cb 0.78 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 3it5 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3it5 n GLY 166 N 1.35 1.01 3.84 0.00 0.00 0.13 -5.01 105.19 106.51 3it5 n GLY 166 Ca 0.04 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 3it5 n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3it5 s THR 167 N -2.52 4.99 -0.23 2.61 -4.23 -1.15 -4.93 115.64 110.18 3it5 s THR 167 Ca 0.00 -0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 3it5 s THR 167 Cb 0.00 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 3it5 s THR 167 CO 0.00 0.28 0.02 -0.89 -0.54 0.00 0.00 174.62 173.48 3it5 s THR 168 N -1.31 3.95 -0.11 3.99 2.01 -1.26 -0.52 115.64 122.38 3it5 s THR 168 Ca 0.27 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 3it5 s THR 168 Cb -0.12 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 3it5 s THR 168 CO 0.19 0.39 -0.09 -1.00 -0.69 0.00 0.00 174.62 173.42 3it5 s HIS 169 N 1.41 2.90 0.46 4.92 3.76 0.35 -4.96 115.29 124.13 3it5 s HIS 169 Ca 0.05 -0.32 0.07 0.00 -0.15 0.00 0.00 55.06 54.71 3it5 s HIS 169 Cb -0.15 -1.82 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 3it5 s HIS 169 CO 0.01 0.02 0.35 0.00 -0.85 0.00 0.00 174.74 174.27 3it5 s ALA 171 N -2.62 2.02 -1.45 0.00 0.00 -1.26 -3.71 121.76 114.74 3it5 s ALA 171 Ca 0.41 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 3it5 s ALA 171 Cb -0.01 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.73 3it5 s ALA 171 CO 0.24 -2.02 0.71 1.19 0.00 0.00 0.00 175.76 175.89 3it5 n PHE 172 N -3.05 -2.02 -4.04 0.00 3.01 0.06 -4.98 117.46 106.45 3it5 n PHE 172 Ca 0.13 0.66 -0.16 0.00 1.01 0.00 0.00 57.45 59.09 3it5 n PHE 172 Cb 0.51 -3.59 -0.15 0.00 -0.01 0.00 0.00 39.48 36.24 3it5 n PHE 172 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3it5 s ARG 173 N -6.25 0.35 -0.07 -1.08 0.52 -1.24 -5.02 118.95 106.15 3it5 s ARG 173 Ca 0.51 -0.07 -0.36 0.00 -0.52 0.00 0.00 55.73 55.29 3it5 s ARG 173 Cb -0.26 -0.39 -0.13 0.00 0.52 0.00 0.00 34.95 34.69 3it5 s ARG 173 CO 0.62 0.00 1.76 -2.30 0.02 0.00 0.00 175.30 175.41 3it5 n PRO 174 N 3.41 1.88 -3.68 3.54 -0.02 -1.26 -4.39 135.00 134.48 3it5 n PRO 174 Ca -0.18 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 3it5 n PRO 174 Cb 0.56 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 3it5 n PRO 174 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3it5 s LEU 175 N 3.14 4.59 0.30 2.45 2.96 0.59 -4.89 118.68 127.81 3it5 s LEU 175 Ca 0.91 -1.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 3it5 s LEU 175 Cb -0.79 -1.93 -0.10 0.00 0.50 0.00 0.00 46.19 43.87 3it5 s LEU 175 CO 0.52 -0.38 1.27 -0.47 -1.32 0.00 0.00 176.35 175.96 3it5 s TYR 176 N 1.44 3.18 -0.31 5.38 6.14 -1.26 -3.11 117.35 128.82 3it5 s TYR 176 Ca 0.00 1.44 -0.05 0.00 0.64 0.00 0.00 57.07 59.10 3it5 s TYR 176 Cb -0.20 -3.59 0.03 0.00 0.42 0.00 0.00 41.96 38.62 3it5 s TYR 176 CO 0.04 -1.61 0.06 1.21 0.64 0.00 0.00 175.55 175.88 3it5 s ASN 177 N -0.44 5.05 -0.05 4.32 2.47 -0.83 -4.97 114.94 120.49 3it5 s ASN 177 Ca 0.49 -0.98 0.16 0.00 0.42 0.00 0.00 52.86 52.95 3it5 s ASN 177 Cb -0.38 -1.82 0.54 0.00 -1.45 0.00 0.00 41.25 38.14 3it5 s ASN 177 CO 0.48 -0.24 1.43 -0.81 -3.72 0.00 0.00 177.10 174.24 3it5 n PRO 178 N 4.78 2.77 0.00 0.43 -0.04 -1.26 -0.46 135.00 141.22 3it5 n PRO 178 Ca -0.14 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 3it5 n PRO 178 Cb 0.46 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 3it5 n PRO 178 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3it5 n GLY 179 N 1.17 -0.06 3.77 0.55 0.00 -1.26 -4.86 105.19 104.49 3it5 n GLY 179 Ca 0.20 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 3it5 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3it5 s LEU 180 N 0.00 4.48 0.00 0.99 1.43 -1.26 -3.79 118.68 120.53 3it5 s LEU 180 Ca 0.00 1.86 0.31 0.00 -1.03 0.00 0.00 54.13 55.27 3it5 s LEU 180 Cb 0.00 -3.80 1.79 0.00 0.03 0.00 0.00 46.19 44.21 3it5 s LEU 180 CO 0.00 0.04 2.16 0.00 0.23 0.00 0.00 176.35 178.79