#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it5 n PRO 2 N 0.00 0.00 -1.15 0.00 -0.02 -1.26 -4.77 135.00 127.80 3it5 n PRO 2 Ca 0.00 0.00 -0.54 0.00 -2.02 0.00 0.00 63.50 60.94 3it5 n PRO 2 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.37 3it5 n PRO 2 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3it5 n PRO 3 N 0.00 0.00 0.04 0.52 -0.02 -1.26 -4.61 135.00 129.67 3it5 n PRO 3 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.52 3it5 n PRO 3 Cb 0.00 -1.35 0.21 0.00 -0.02 0.00 0.00 33.50 32.34 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 6.62 0.16 -0.43 2.55 3.41 -1.26 -1.45 113.62 123.22 3it5 n SER 4 Ca 0.49 0.57 0.05 0.00 -0.26 0.00 0.00 58.87 59.71 3it5 n SER 4 Cb -0.04 -0.59 0.13 0.00 -0.26 0.00 0.00 64.21 63.45 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 -1.71 2.76 -0.01 4.04 6.94 -1.26 -4.65 115.26 121.37 3it5 n ASN 5 Ca 0.00 -2.31 -0.20 0.00 -0.02 0.00 0.00 54.58 52.06 3it5 n ASN 5 Cb 0.05 -0.24 -0.14 0.00 -2.36 0.00 0.00 39.78 37.10 3it5 n ASN 5 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3it5 h LEU 6 N 1.15 0.28 -8.70 -4.53 5.85 -1.57 -3.45 115.31 104.35 3it5 h LEU 6 Ca 0.00 -0.87 -0.66 0.00 0.84 0.00 0.00 57.88 57.19 3it5 h LEU 6 Cb 0.82 -0.09 -0.26 0.00 0.37 0.00 0.00 40.66 41.50 3it5 h LEU 6 CO 0.04 1.41 -0.87 -0.04 -0.34 0.00 0.00 178.44 178.64 3it5 s MET 7 N -2.39 1.65 0.39 1.25 -1.94 -1.26 -4.50 119.30 112.50 3it5 s MET 7 Ca -0.19 -1.09 0.08 0.00 -1.71 0.00 0.00 55.69 52.78 3it5 s MET 7 Cb 0.02 -1.84 -0.05 0.00 2.01 0.00 0.00 34.83 34.97 3it5 s MET 7 CO 0.75 0.47 0.14 1.14 -0.01 0.00 0.00 175.02 177.51 3it5 s GLN 8 N -1.30 2.22 0.51 2.03 -2.07 0.43 -1.33 119.66 120.14 3it5 s GLN 8 Ca 0.11 -1.80 -0.23 0.00 -1.82 0.00 0.00 55.36 51.62 3it5 s GLN 8 Cb -0.10 -1.99 -0.06 0.00 -1.09 0.00 0.00 33.01 29.77 3it5 s GLN 8 CO 0.02 -0.05 1.36 -0.51 -1.32 0.00 0.00 175.29 174.80 3it5 s LEU 9 N -3.86 3.94 -0.06 2.60 1.43 -1.26 -4.52 118.68 116.95 3it5 s LEU 9 Ca 0.39 2.78 -0.03 0.00 -1.03 0.00 0.00 54.13 56.25 3it5 s LEU 9 Cb 0.03 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 42.00 3it5 s LEU 9 CO 0.22 -1.40 2.68 -0.81 0.23 0.00 0.00 176.35 177.27 3it5 n PRO 10 N -0.73 1.55 -4.20 1.29 -0.04 -1.26 -4.73 135.00 126.88 3it5 n PRO 10 Ca 0.08 -0.69 -0.16 0.00 -0.04 0.00 0.00 63.50 62.70 3it5 n PRO 10 Cb 0.44 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.10 1.39 0.23 0.54 -2.14 -1.26 -2.79 118.94 115.01 3it5 s TRP 11 Ca 0.33 -1.46 -0.32 0.00 2.66 0.00 0.00 56.10 57.31 3it5 s TRP 11 Cb 0.17 -0.46 -0.12 0.00 -3.10 0.00 0.00 33.47 29.96 3it5 s TRP 11 CO -0.02 -0.92 1.61 0.54 -2.66 0.00 0.00 176.95 175.51 3it5 n ARG 12 N -0.53 2.53 -1.69 3.25 1.74 -1.26 -4.76 116.66 115.94 3it5 n ARG 12 Ca 0.04 0.91 -0.44 0.00 -0.77 0.00 0.00 57.85 57.59 3it5 n ARG 12 Cb 0.63 -2.69 -0.04 0.00 -1.02 0.00 0.00 32.46 29.34 3it5 n ARG 12 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3it5 n GLN 13 N 3.04 2.57 0.00 5.56 7.27 -1.26 -1.81 117.38 132.74 3it5 n GLN 13 Ca 0.13 0.93 0.00 0.00 0.07 0.00 0.00 57.00 58.14 3it5 n GLN 13 Cb 0.34 -2.78 0.00 0.00 2.41 0.00 0.00 30.24 30.21 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 3.99 1.28 3.56 1.69 0.00 0.42 -5.01 105.19 111.12 3it5 n GLY 14 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.21 2.44 -0.06 1.61 2.02 -0.75 -4.87 117.35 115.53 3it5 s TYR 15 Ca 0.00 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3it5 s TYR 15 Cb 0.00 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 3it5 s TYR 15 CO 0.00 0.58 -0.09 -1.12 -1.57 0.00 0.00 175.55 173.35 3it5 s SER 16 N -3.63 1.49 0.47 2.29 0.01 -1.26 -2.19 113.70 110.88 3it5 s SER 16 Ca 0.33 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.39 3it5 s SER 16 Cb 0.00 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 3it5 s SER 16 CO 0.17 -0.00 0.07 0.26 0.41 0.00 0.00 173.24 174.15 3it5 s TRP 17 N 0.80 2.17 -0.21 2.43 0.51 -1.21 -4.76 118.94 118.66 3it5 s TRP 17 Ca -0.13 -0.80 -0.06 0.00 -2.12 0.00 0.00 56.10 53.00 3it5 s TRP 17 Cb -0.15 -1.75 -0.03 0.00 -0.81 0.00 0.00 33.47 30.73 3it5 s TRP 17 CO 0.02 0.23 0.03 -0.65 -0.51 0.00 0.00 176.95 176.06 3it5 s GLN 18 N -3.87 3.67 0.24 4.98 -0.21 0.13 0.11 119.66 124.72 3it5 s GLN 18 Ca 0.23 -0.49 -0.06 0.00 0.02 0.00 0.00 55.36 55.06 3it5 s GLN 18 Cb 0.04 -3.16 -0.06 0.00 1.00 0.00 0.00 33.01 30.84 3it5 s GLN 18 CO 0.12 -0.01 0.51 -1.25 -2.12 0.00 0.00 175.29 172.55 3it5 s PRO 19 N 1.08 3.68 0.43 2.91 0.04 -1.26 -2.18 135.00 139.70 3it5 s PRO 19 Ca 0.03 0.05 0.05 0.00 0.04 0.00 0.00 61.00 61.18 3it5 s PRO 19 Cb -0.14 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.75 3it5 s PRO 19 CO 0.02 0.30 0.44 0.27 0.04 0.00 0.00 177.00 178.07 3it5 n ASN 20 N -0.47 2.07 -4.77 6.66 6.94 -0.26 0.16 115.26 125.59 3it5 n ASN 20 Ca -0.01 -2.35 -0.37 0.00 -0.02 0.00 0.00 54.58 51.83 3it5 n ASN 20 Cb 0.53 -0.15 0.01 0.00 -2.36 0.00 0.00 39.78 37.80 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 -3.79 2.76 0.45 4.83 0.00 -1.26 -4.47 107.32 105.84 3it5 s GLY 21 Ca 0.33 0.98 -0.25 0.00 0.00 0.00 0.00 44.72 45.78 3it5 s GLY 21 CO 0.21 1.42 1.40 0.00 0.00 0.00 0.00 173.10 176.13 3it5 s ALA 22 N -1.56 3.23 0.27 3.20 0.00 -1.26 -4.25 121.76 121.39 3it5 s ALA 22 Ca 0.68 1.42 -0.15 0.00 0.00 0.00 0.00 51.96 53.91 3it5 s ALA 22 Cb -0.30 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.26 3it5 s ALA 22 CO 0.35 -1.13 0.56 -3.38 0.00 0.00 0.00 175.76 172.16 3it5 s HIS 23 N -1.22 0.24 0.89 0.00 -3.43 0.11 -1.25 115.29 110.63 3it5 s HIS 23 Ca 0.61 -0.64 -0.12 0.00 -0.80 0.00 0.00 55.06 54.10 3it5 s HIS 23 Cb -0.42 0.35 0.13 0.00 -1.43 0.00 0.00 32.58 31.20 3it5 s HIS 23 CO 0.55 -1.10 1.10 -1.54 -2.00 0.00 0.00 174.74 171.74 3it5 s SER 24 N -3.01 3.58 0.22 7.38 1.04 -1.24 -0.35 113.70 121.31 3it5 s SER 24 Ca 0.19 1.30 -0.08 0.00 0.48 0.00 0.00 55.95 57.84 3it5 s SER 24 Cb -0.02 -1.98 0.30 0.00 0.10 0.00 0.00 66.02 64.41 3it5 s SER 24 CO 0.09 -2.55 1.77 -1.13 0.98 0.00 0.00 173.24 172.40 3it5 h ASN 25 N -1.49 0.38 0.53 7.02 -1.24 -1.93 -0.97 115.58 117.88 3it5 h ASN 25 Ca -0.50 0.06 -0.14 0.00 0.71 0.00 0.00 56.30 56.43 3it5 h ASN 25 Cb 1.30 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.33 3it5 h ASN 25 CO 0.57 0.22 -0.65 0.71 -1.29 0.00 0.00 177.43 177.00 3it5 h THR 26 N 0.53 1.44 0.00 -3.57 1.35 -1.96 -3.47 112.91 107.23 3it5 h THR 26 Ca 0.32 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 3it5 h THR 26 Cb 0.34 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3it5 h THR 26 CO -0.27 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 3it5 n GLY 27 N 0.35 0.66 0.04 5.82 0.00 -0.37 -4.95 105.19 106.73 3it5 n GLY 27 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 2.88 0.00 1.61 3.41 -1.26 -4.67 113.62 115.59 3it5 n SER 28 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3it5 n SER 28 Cb 0.00 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 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 2.45 2.37 3.09 5.00 0.00 -1.26 -4.97 105.19 111.86 3it5 n GLY 29 Ca -0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 2.99 0.09 0.65 1.61 5.04 -1.26 -4.57 117.35 121.91 3it5 s TYR 30 Ca 0.00 -0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 54.37 3it5 s TYR 30 Cb 0.00 -0.08 0.07 0.00 0.35 0.00 0.00 41.96 42.30 3it5 s TYR 30 CO 0.00 -0.28 0.92 -1.25 -1.34 0.00 0.00 175.55 173.60 3it5 s PRO 31 N -1.51 2.17 -1.16 4.97 0.04 -1.26 -4.96 135.00 133.30 3it5 s PRO 31 Ca -0.14 -0.68 -0.20 0.00 0.04 0.00 0.00 61.00 60.02 3it5 s PRO 31 Cb -0.07 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 32.21 3it5 s PRO 31 CO 0.01 -1.10 1.56 0.71 0.04 0.00 0.00 177.00 178.22 3it5 s TYR 32 N -3.04 2.75 -0.57 0.56 2.02 -1.26 -3.71 117.35 114.11 3it5 s TYR 32 Ca 0.61 -1.34 0.22 0.00 -0.37 0.00 0.00 57.07 56.20 3it5 s TYR 32 Cb -0.09 -4.67 -0.07 0.00 -0.40 0.00 0.00 41.96 36.72 3it5 s TYR 32 CO 0.42 -1.81 0.91 -1.13 -1.57 0.00 0.00 175.55 172.37 3it5 n SER 33 N 8.28 0.58 -4.17 2.29 3.41 -0.56 -0.69 113.62 122.75 3it5 n SER 33 Ca 0.40 -0.30 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 3it5 n SER 33 Cb 0.48 1.04 -0.11 0.00 -0.26 0.00 0.00 64.21 65.35 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 -3.89 1.57 0.04 4.04 0.01 0.52 -0.75 113.70 115.24 3it5 s SER 34 Ca 0.02 -0.70 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 3it5 s SER 34 Cb 0.14 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 3it5 s SER 34 CO 0.83 -0.16 -0.03 0.72 0.41 0.00 0.00 173.24 175.02 3it5 s PHE 35 N -1.79 0.42 0.06 2.43 -0.12 -0.79 0.05 117.98 118.24 3it5 s PHE 35 Ca 0.01 -0.86 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 3it5 s PHE 35 Cb -0.07 -0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 3it5 s PHE 35 CO 0.01 -0.31 0.18 -0.51 -0.05 0.00 0.00 175.22 174.55 3it5 s ASP 36 N -2.37 6.21 -0.08 1.98 1.01 -1.26 -1.62 116.67 120.54 3it5 s ASP 36 Ca -0.02 0.23 -0.07 0.00 0.71 0.00 0.00 52.55 53.40 3it5 s ASP 36 Cb 0.01 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 42.09 3it5 s ASP 36 CO -0.07 0.18 0.20 0.00 0.21 0.00 0.00 175.17 175.70 3it5 s ALA 37 N -1.47 -0.49 0.01 5.23 0.00 -0.58 -1.10 121.76 123.36 3it5 s ALA 37 Ca 0.33 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 3it5 s ALA 37 Cb -0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3it5 s ALA 37 CO 0.26 -0.11 0.11 0.45 0.00 0.00 0.00 175.76 176.47 3it5 s SER 38 N 0.26 0.08 0.14 0.00 0.15 -0.93 -1.29 113.70 112.12 3it5 s SER 38 Ca -0.01 -0.29 -0.17 0.00 0.70 0.00 0.00 55.95 56.17 3it5 s SER 38 Cb -0.03 0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 3it5 s SER 38 CO -0.01 -0.38 1.80 0.22 1.20 0.00 0.00 173.24 176.07 3it5 h TYR 39 N 4.26 0.39 0.00 3.44 3.20 -1.87 0.38 116.97 126.78 3it5 h TYR 39 Ca -0.31 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3it5 h TYR 39 Cb 1.20 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.34 3it5 h TYR 39 CO 0.60 0.24 0.00 -0.40 -1.64 0.00 0.00 178.16 176.96 3it5 n ASP 40 N -4.88 0.11 -3.46 -2.11 5.75 -1.26 -4.19 116.55 106.51 3it5 n ASP 40 Ca -0.01 -0.69 -0.15 0.00 -0.01 0.00 0.00 54.79 53.94 3it5 n ASP 40 Cb 0.04 0.06 0.01 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.06 -2.44 -2.31 2.11 7.02 -1.26 -5.01 117.44 115.49 3it5 n TRP 41 Ca 0.00 0.93 -0.23 0.00 -1.02 0.00 0.00 57.50 57.17 3it5 n TRP 41 Cb 0.14 -3.44 0.14 0.00 -2.42 0.00 0.00 31.31 25.72 3it5 n TRP 41 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3it5 n PRO 42 N -2.43 -0.46 -2.21 -0.99 -0.04 -1.26 -4.99 135.00 122.62 3it5 n PRO 42 Ca -0.15 -2.27 -0.28 0.00 -0.04 0.00 0.00 63.50 60.75 3it5 n PRO 42 Cb 0.60 -0.84 0.03 0.00 -0.04 0.00 0.00 33.50 33.24 3it5 n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3it5 s ARG 43 N -5.16 3.13 0.45 0.54 0.52 -1.26 -3.99 118.95 113.19 3it5 s ARG 43 Ca 0.64 0.29 -0.24 0.00 -0.52 0.00 0.00 55.73 55.90 3it5 s ARG 43 Cb -0.03 -2.19 -0.09 0.00 0.52 0.00 0.00 34.95 33.16 3it5 s ARG 43 CO 0.43 -0.68 1.18 0.91 0.02 0.00 0.00 175.30 177.16 3it5 n TRP 44 N -2.67 1.75 0.00 -0.53 7.02 -1.26 -2.84 117.44 118.91 3it5 n TRP 44 Ca 0.05 0.50 0.00 0.00 -1.02 0.00 0.00 57.50 57.03 3it5 n TRP 44 Cb 0.56 -2.31 0.00 0.00 -2.42 0.00 0.00 31.31 27.14 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 0.96 1.94 3.76 6.99 0.00 0.24 -5.02 105.19 114.06 3it5 n GLY 45 Ca 0.08 0.00 -0.29 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 -2.14 2.73 0.27 1.61 0.01 -1.13 -5.00 113.70 110.05 3it5 s SER 46 Ca 0.00 0.76 -0.30 0.00 1.31 0.00 0.00 55.95 57.72 3it5 s SER 46 Cb 0.00 -1.15 -0.10 0.00 0.21 0.00 0.00 66.02 64.98 3it5 s SER 46 CO 0.00 -3.01 1.37 0.00 0.41 0.00 0.00 173.24 172.00 3it5 s ALA 47 N -3.31 3.56 0.31 1.44 0.00 -1.26 -4.75 121.76 117.74 3it5 s ALA 47 Ca 0.68 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.98 3it5 s ALA 47 Cb -0.12 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 3it5 s ALA 47 CO 0.54 -0.67 -0.05 0.95 0.00 0.00 0.00 175.76 176.53 3it5 s THR 48 N -0.43 1.79 0.30 0.00 -4.23 -1.26 -4.96 115.64 106.85 3it5 s THR 48 Ca 0.55 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3it5 s THR 48 Cb -0.40 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 3it5 s THR 48 CO 0.46 -0.22 0.05 -0.31 -0.54 0.00 0.00 174.62 174.06 3it5 s TYR 49 N -2.91 1.86 -0.16 3.99 2.02 -1.26 -4.94 117.35 115.96 3it5 s TYR 49 Ca 0.31 -0.96 -0.29 0.00 -0.37 0.00 0.00 57.07 55.76 3it5 s TYR 49 Cb 0.04 -1.18 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 3it5 s TYR 49 CO 0.14 -0.02 1.29 -1.12 -1.57 0.00 0.00 175.55 174.26 3it5 s SER 50 N -3.44 6.93 -0.03 2.29 0.01 -1.26 -2.94 113.70 115.25 3it5 s SER 50 Ca 0.35 1.72 -0.23 0.00 1.31 0.00 0.00 55.95 59.11 3it5 s SER 50 Cb 0.08 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 3it5 s SER 50 CO 0.14 -0.77 0.67 -0.69 0.41 0.00 0.00 173.24 173.00 3it5 s VAL 51 N 3.54 4.96 0.25 3.43 1.01 0.68 -4.16 120.40 130.11 3it5 s VAL 51 Ca 0.56 1.39 0.09 0.00 0.00 0.00 0.00 61.98 64.02 3it5 s VAL 51 Cb -0.22 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3it5 s VAL 51 CO 0.15 0.32 -0.15 0.68 0.00 0.00 0.00 175.10 176.10 3it5 s VAL 52 N 0.35 2.02 0.29 2.92 -7.23 -1.12 0.42 120.40 118.05 3it5 s VAL 52 Ca 0.35 -2.27 -0.29 0.00 -1.81 0.00 0.00 61.98 57.95 3it5 s VAL 52 Cb -0.18 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 3it5 s VAL 52 CO 0.18 -0.48 1.43 0.00 -0.31 0.00 0.00 175.10 175.92 3it5 s ALA 53 N -2.79 3.60 -0.06 1.32 0.00 -0.34 -4.38 121.76 119.11 3it5 s ALA 53 Ca 0.26 1.37 0.17 0.00 0.00 0.00 0.00 51.96 53.76 3it5 s ALA 53 Cb -0.02 -3.55 0.31 0.00 0.00 0.00 0.00 23.12 19.86 3it5 s ALA 53 CO 0.11 -0.78 1.56 0.00 0.00 0.00 0.00 175.76 176.64 3it5 h ALA 54 N 4.30 0.79 -2.93 0.00 0.00 -1.86 -1.24 119.26 118.31 3it5 h ALA 54 Ca -0.48 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.05 3it5 h ALA 54 Cb 1.22 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 3it5 h ALA 54 CO 0.73 0.54 0.10 -3.38 0.00 0.00 0.00 179.25 177.24 3it5 s HIS 55 N -3.18 -0.13 0.68 0.00 -3.43 -1.26 -0.43 115.29 107.54 3it5 s HIS 55 Ca 0.03 -0.24 -0.17 0.00 -0.80 0.00 0.00 55.06 53.88 3it5 s HIS 55 Cb 0.09 0.50 0.01 0.00 -1.43 0.00 0.00 32.58 31.74 3it5 s HIS 55 CO 0.72 -1.03 1.26 0.00 -2.00 0.00 0.00 174.74 173.68 3it5 s ALA 56 N -3.89 2.26 0.00 -1.38 0.00 -1.26 -3.73 121.76 113.76 3it5 s ALA 56 Ca 0.11 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3it5 s ALA 56 Cb -0.03 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3it5 s ALA 56 CO 0.01 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.46 3it5 n GLY 57 N 0.72 -0.58 3.80 0.00 0.00 -0.28 -4.06 105.19 104.78 3it5 n GLY 57 Ca 0.15 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.53 5.14 0.12 2.61 2.01 -0.61 -1.12 115.64 121.27 3it5 s THR 58 Ca 0.00 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 3it5 s THR 58 Cb 0.00 -3.23 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 3it5 s THR 58 CO 0.00 0.59 0.76 -0.69 -0.69 0.00 0.00 174.62 174.59 3it5 s VAL 59 N -0.78 4.51 -0.15 3.82 1.01 0.50 -1.74 120.40 127.57 3it5 s VAL 59 Ca 0.13 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.77 3it5 s VAL 59 Cb -0.12 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.16 3it5 s VAL 59 CO 0.03 0.47 -0.18 -0.60 0.00 0.00 0.00 175.10 174.82 3it5 s ARG 60 N -0.79 2.69 -0.71 2.72 6.06 -0.52 -1.28 118.95 127.11 3it5 s ARG 60 Ca 0.36 -0.72 -0.20 0.00 -2.50 0.00 0.00 55.73 52.67 3it5 s ARG 60 Cb -0.22 -2.31 0.10 0.00 0.06 0.00 0.00 34.95 32.59 3it5 s ARG 60 CO 0.25 -0.15 0.91 0.08 -2.50 0.00 0.00 175.30 173.89 3it5 s VAL 61 N 1.19 4.64 0.19 7.11 1.01 -1.26 -1.06 120.40 132.21 3it5 s VAL 61 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 3it5 s VAL 61 Cb -0.14 -4.64 0.01 0.00 0.00 0.00 0.00 36.38 31.61 3it5 s VAL 61 CO -0.08 -1.35 1.57 -0.07 0.00 0.00 0.00 175.10 175.17 3it5 h LEU 62 N 10.52 0.87 0.00 3.92 3.38 -1.48 -3.48 115.31 129.04 3it5 h LEU 62 Ca -0.16 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3it5 h LEU 62 Cb 1.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3it5 h LEU 62 CO 1.12 1.09 0.00 -1.54 0.09 0.00 0.00 178.44 179.20 3it5 n SER 63 N -4.09 0.00 0.01 -0.43 3.41 -0.99 -4.95 113.62 106.58 3it5 n SER 63 Ca -0.01 -0.46 0.10 0.00 -0.26 0.00 0.00 58.87 58.24 3it5 n SER 63 Cb 0.48 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.86 3it5 n SER 63 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3it5 n ARG 64 N 0.00 0.01 0.00 4.33 1.85 -1.26 -3.78 116.66 117.82 3it5 n ARG 64 Ca 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 3it5 n ARG 64 Cb 0.00 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 3it5 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3it5 s GLN 66 N -0.26 0.11 0.04 0.00 0.74 -1.25 -0.08 119.66 118.97 3it5 s GLN 66 Ca 0.00 0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.71 3it5 s GLN 66 Cb 0.00 -0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.02 3it5 s GLN 66 CO 0.00 -0.10 -0.08 0.08 -0.55 0.00 0.00 175.29 174.64 3it5 s VAL 67 N 0.67 0.60 0.06 1.34 1.01 -0.80 -1.11 120.40 122.18 3it5 s VAL 67 Ca -0.05 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 60.92 3it5 s VAL 67 Cb -0.07 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3it5 s VAL 67 CO -0.03 -0.34 -0.18 -0.60 0.00 0.00 0.00 175.10 173.94 3it5 s ARG 68 N -1.54 1.14 -0.13 2.72 3.52 -0.22 -1.21 118.95 123.22 3it5 s ARG 68 Ca -0.09 -0.96 0.01 0.00 -0.13 0.00 0.00 55.73 54.56 3it5 s ARG 68 Cb -0.10 -1.26 0.02 0.00 -1.56 0.00 0.00 34.95 32.06 3it5 s ARG 68 CO 0.01 0.31 -0.14 0.08 -0.81 0.00 0.00 175.30 174.75 3it5 s VAL 69 N -0.96 1.48 -0.19 7.11 1.01 -0.25 -1.44 120.40 127.17 3it5 s VAL 69 Ca 0.05 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3it5 s VAL 69 Cb -0.09 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.93 3it5 s VAL 69 CO 0.02 0.44 -0.16 -0.89 0.00 0.00 0.00 175.10 174.51 3it5 s THR 70 N 1.36 1.91 0.47 3.92 2.01 -0.71 -0.62 115.64 123.98 3it5 s THR 70 Ca 0.02 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 60.85 3it5 s THR 70 Cb -0.13 -1.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.48 3it5 s THR 70 CO -0.08 0.40 0.98 -2.28 -0.69 0.00 0.00 174.62 172.95 3it5 s HIS 71 N 1.33 3.28 0.58 4.92 2.46 0.40 -1.57 115.29 126.69 3it5 s HIS 71 Ca 0.02 1.56 0.28 0.00 0.47 0.00 0.00 55.06 57.40 3it5 s HIS 71 Cb -0.14 -2.88 1.59 0.00 -0.13 0.00 0.00 32.58 31.03 3it5 s HIS 71 CO -0.11 -0.34 2.06 -1.35 -2.47 0.00 0.00 174.74 172.53 3it5 h PRO 72 N 1.51 0.00 0.00 2.88 0.11 -1.87 -2.06 132.00 132.58 3it5 h PRO 72 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 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 0.61 0.00 -0.06 1.03 -0.21 0.00 0.00 178.00 179.37 3it5 h SER 73 N 0.00 0.00 0.00 -2.05 0.87 -1.97 -3.46 113.55 106.94 3it5 h SER 73 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3it5 h SER 73 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3it5 h SER 73 CO -0.00 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 176.97 3it5 n GLY 74 N -0.64 2.10 3.77 5.77 0.00 -0.77 -4.98 105.19 110.44 3it5 n GLY 74 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.06 3.07 0.03 1.61 0.52 -1.26 -0.74 118.94 120.12 3it5 s TRP 75 Ca 0.00 1.51 -0.15 0.00 0.02 0.00 0.00 56.10 57.48 3it5 s TRP 75 Cb 0.00 -3.51 0.02 0.00 -1.15 0.00 0.00 33.47 28.84 3it5 s TRP 75 CO 0.00 -1.51 0.33 0.00 0.02 0.00 0.00 176.95 175.79 3it5 s ALA 76 N -1.28 -0.78 -0.01 0.98 0.00 0.13 -0.46 121.76 120.34 3it5 s ALA 76 Ca 0.53 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.68 3it5 s ALA 76 Cb -0.35 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3it5 s ALA 76 CO 0.45 -0.40 -0.19 0.95 0.00 0.00 0.00 175.76 176.56 3it5 s THR 77 N -2.35 1.52 -0.02 0.00 -4.23 0.21 -0.46 115.64 110.30 3it5 s THR 77 Ca -0.06 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 3it5 s THR 77 Cb -0.01 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 3it5 s THR 77 CO -0.02 0.40 -0.13 0.21 -0.54 0.00 0.00 174.62 174.53 3it5 s ASN 78 N -0.54 4.11 -0.22 3.99 2.47 0.83 -1.09 114.94 124.50 3it5 s ASN 78 Ca 0.07 -0.24 -0.01 0.00 0.42 0.00 0.00 52.86 53.11 3it5 s ASN 78 Cb -0.08 -0.84 0.06 0.00 -1.45 0.00 0.00 41.25 38.94 3it5 s ASN 78 CO -0.00 0.31 -0.01 -0.31 -3.72 0.00 0.00 177.10 173.36 3it5 s TYR 79 N -0.84 1.80 0.32 0.43 1.51 -0.35 -0.34 117.35 119.89 3it5 s TYR 79 Ca 0.13 -1.38 0.09 0.00 -1.01 0.00 0.00 57.07 54.90 3it5 s TYR 79 Cb -0.11 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 3it5 s TYR 79 CO 0.03 -0.71 0.08 -0.47 -1.11 0.00 0.00 175.55 173.37 3it5 s TYR 80 N 1.60 2.68 -1.09 2.71 5.04 0.63 -1.90 117.35 127.02 3it5 s TYR 80 Ca -0.03 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 3it5 s TYR 80 Cb -0.18 -1.50 0.00 0.00 0.35 0.00 0.00 41.96 40.63 3it5 s TYR 80 CO -0.07 0.44 0.00 0.72 -1.34 0.00 0.00 175.55 175.30 3it5 n HIS 81 N -1.05 -0.60 -1.62 4.97 8.25 -0.84 -2.50 115.22 121.83 3it5 n HIS 81 Ca -0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.11 3it5 n HIS 81 Cb 0.61 -2.81 0.06 0.00 1.12 0.00 0.00 29.99 28.97 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 -4.63 2.66 0.11 -0.41 -1.94 0.89 0.03 119.30 116.02 3it5 s MET 82 Ca 0.00 0.77 -0.16 0.00 -1.71 0.00 0.00 55.69 54.59 3it5 s MET 82 Cb 0.00 -1.97 0.03 0.00 2.01 0.00 0.00 34.83 34.90 3it5 s MET 82 CO 0.00 -1.24 0.39 0.34 -0.01 0.00 0.00 175.02 174.50 3it5 s ASP 83 N -3.92 -0.23 -1.51 3.03 2.15 0.35 -4.08 116.67 112.45 3it5 s ASP 83 Ca 0.59 -0.29 -0.13 0.00 0.43 0.00 0.00 52.55 53.15 3it5 s ASP 83 Cb -0.14 0.46 0.08 0.00 -0.30 0.00 0.00 42.92 43.03 3it5 s ASP 83 CO 0.54 -0.82 0.93 0.00 -0.17 0.00 0.00 175.17 175.65 3it5 n GLN 84 N -0.13 -5.34 -1.70 4.34 6.02 -1.26 -1.74 117.38 117.56 3it5 n GLN 84 Ca -0.16 0.60 -0.44 0.00 -0.01 0.00 0.00 57.00 57.00 3it5 n GLN 84 Cb 0.63 -5.48 -0.02 0.00 1.02 0.00 0.00 30.24 26.38 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 -4.62 0.78 -0.33 5.09 5.41 -1.26 -4.46 119.36 119.96 3it5 n ILE 85 Ca 0.03 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3it5 n ILE 85 Cb 0.53 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 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 2.42 1.20 -3.10 0.38 10.64 -1.01 -4.98 117.38 122.92 3it5 n GLN 86 Ca 0.12 -0.92 -0.19 0.00 -1.83 0.00 0.00 57.00 54.18 3it5 n GLN 86 Cb 0.33 -0.84 0.02 0.00 -0.86 0.00 0.00 30.24 28.90 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 -0.47 2.62 0.09 -0.39 -7.23 -1.26 -5.06 120.40 108.70 3it5 s VAL 87 Ca 0.00 -1.05 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 3it5 s VAL 87 Cb 0.00 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 3it5 s VAL 87 CO 0.00 0.00 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.28 3it5 s SER 88 N -4.44 1.10 0.14 4.85 0.01 -1.26 -4.95 113.70 109.15 3it5 s SER 88 Ca 0.56 -0.94 -0.34 0.00 1.31 0.00 0.00 55.95 56.54 3it5 s SER 88 Cb -0.08 0.09 -0.14 0.00 0.21 0.00 0.00 66.02 66.10 3it5 s SER 88 CO 0.34 -0.43 1.58 0.59 0.41 0.00 0.00 173.24 175.74 3it5 n ASN 89 N 0.17 3.03 0.00 2.44 3.02 -1.26 -1.64 115.26 121.02 3it5 n ASN 89 Ca -0.14 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 3it5 n ASN 89 Cb 0.60 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 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 3.43 1.11 3.68 7.41 0.00 -0.40 -5.00 105.19 115.43 3it5 n GLY 90 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.26 4.27 0.12 1.61 0.74 -0.65 -4.72 119.66 120.78 3it5 s GLN 91 Ca 0.00 1.95 -0.30 0.00 0.05 0.00 0.00 55.36 57.05 3it5 s GLN 91 Cb 0.00 -3.63 -0.06 0.00 1.10 0.00 0.00 33.01 30.42 3it5 s GLN 91 CO 0.00 -0.61 1.04 -0.65 -0.55 0.00 0.00 175.29 174.52 3it5 s GLN 92 N 2.66 4.62 0.12 1.67 -1.52 -1.26 -0.37 119.66 125.57 3it5 s GLN 92 Ca 0.64 1.59 -0.04 0.00 -1.95 0.00 0.00 55.36 55.59 3it5 s GLN 92 Cb -0.30 -3.34 -0.03 0.00 -0.22 0.00 0.00 33.01 29.12 3it5 s GLN 92 CO 0.25 0.08 0.12 0.14 -0.25 0.00 0.00 175.29 175.64 3it5 s VAL 93 N 0.11 0.11 0.37 1.09 -7.23 -0.27 -4.98 120.40 109.60 3it5 s VAL 93 Ca 0.50 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 59.06 3it5 s VAL 93 Cb -0.26 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 34.76 3it5 s VAL 93 CO 0.32 -0.51 0.00 -0.44 -0.31 0.00 0.00 175.10 174.16 3it5 s SER 94 N -2.99 3.47 0.34 4.85 0.01 -1.26 -1.13 113.70 116.99 3it5 s SER 94 Ca 0.18 -1.34 -0.26 0.00 1.31 0.00 0.00 55.95 55.84 3it5 s SER 94 Cb 0.06 -0.31 -0.13 0.00 0.21 0.00 0.00 66.02 65.85 3it5 s SER 94 CO -0.02 -0.44 0.96 0.00 0.41 0.00 0.00 173.24 174.15 3it5 n ALA 95 N -0.86 -0.24 -0.28 1.44 0.00 -1.24 -2.26 120.51 117.06 3it5 n ALA 95 Ca -0.04 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3it5 n ALA 95 Cb 0.66 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.03 0.00 -4.68 0.00 2.03 -0.47 -4.94 116.55 109.51 3it5 n ASP 96 Ca 0.10 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.98 3it5 n ASP 96 Cb 0.35 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 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 -3.09 4.18 0.30 5.18 2.01 -0.96 -4.75 115.64 118.52 3it5 s THR 97 Ca 0.00 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.20 3it5 s THR 97 Cb 0.00 -3.97 -0.12 0.00 0.01 0.00 0.00 72.50 68.43 3it5 s THR 97 CO 0.00 -0.03 1.60 1.17 -0.69 0.00 0.00 174.62 176.68 3it5 n LYS 98 N 5.49 2.73 -0.04 4.92 4.81 -1.26 -1.20 118.16 133.61 3it5 n LYS 98 Ca 0.12 0.97 0.01 0.00 -0.87 0.00 0.00 58.31 58.54 3it5 n LYS 98 Cb 0.46 -2.76 -0.12 0.00 0.02 0.00 0.00 35.03 32.63 3it5 n LYS 98 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3it5 n LEU 99 N 2.10 0.00 0.00 3.14 4.77 0.17 -4.70 117.00 122.48 3it5 n LEU 99 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3it5 n LEU 99 Cb 0.37 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3it5 n LEU 99 CO 0.64 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 3it5 n GLY 100 N 1.83 0.37 3.75 -0.72 0.00 -1.15 -2.42 105.19 106.85 3it5 n GLY 100 Ca -0.12 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.06 2.80 0.25 1.61 -7.23 -0.71 -0.23 120.40 113.82 3it5 s VAL 101 Ca 0.00 -1.65 -0.27 0.00 -1.81 0.00 0.00 61.98 58.25 3it5 s VAL 101 Cb 0.00 -2.99 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 3it5 s VAL 101 CO 0.00 -0.11 0.89 -0.72 -0.31 0.00 0.00 175.10 174.84 3it5 s TYR 102 N -2.48 3.85 0.21 2.82 -0.85 -1.15 -0.50 117.35 119.25 3it5 s TYR 102 Ca 0.40 1.77 -0.31 0.00 -0.52 0.00 0.00 57.07 58.41 3it5 s TYR 102 Cb -0.01 -2.89 -0.10 0.00 0.38 0.00 0.00 41.96 39.34 3it5 s TYR 102 CO 0.23 0.38 1.54 0.00 -1.52 0.00 0.00 175.55 176.19 3it5 s ALA 103 N -1.34 3.74 -1.39 9.51 0.00 0.10 -4.58 121.76 127.80 3it5 s ALA 103 Ca 0.43 1.39 0.29 0.00 0.00 0.00 0.00 51.96 54.07 3it5 s ALA 103 Cb -0.22 -3.61 1.28 0.00 0.00 0.00 0.00 23.12 20.57 3it5 s ALA 103 CO 0.27 -0.80 1.91 0.41 0.00 0.00 0.00 175.76 177.55 3it5 n GLY 104 N 3.11 -1.20 3.19 0.00 0.00 -1.26 -4.54 105.19 104.49 3it5 n GLY 104 Ca 0.11 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 3it5 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3it5 s ASN 105 N -2.66 1.95 0.40 1.61 2.20 -1.26 0.80 114.94 117.98 3it5 s ASN 105 Ca 0.24 -0.54 0.17 0.00 -0.94 0.00 0.00 52.86 51.80 3it5 s ASN 105 Cb 0.20 -0.12 0.84 0.00 -2.00 0.00 0.00 41.25 40.17 3it5 s ASN 105 CO 0.50 0.04 1.84 -0.29 -2.94 0.00 0.00 177.10 176.25 3it5 h ILE 106 N 4.36 1.02 -0.57 0.54 2.10 -1.98 -1.38 117.51 121.60 3it5 h ILE 106 Ca -0.41 -1.23 -0.05 0.00 1.08 0.00 0.00 64.86 64.26 3it5 h ILE 106 Cb 1.18 1.70 -0.02 0.00 -1.09 0.00 0.00 36.82 38.59 3it5 h ILE 106 CO 0.42 0.32 0.17 0.78 -1.08 0.00 0.00 178.15 178.76 3it5 h ASN 107 N 0.00 0.83 0.05 2.19 4.21 -1.96 -1.43 115.58 119.46 3it5 h ASN 107 Ca -0.00 -0.21 -0.10 0.00 1.21 0.00 0.00 56.30 57.20 3it5 h ASN 107 Cb 0.68 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 37.67 3it5 h ASN 107 CO 0.04 0.83 -0.41 0.74 -1.29 0.00 0.00 177.43 177.35 3it5 h THR 108 N 0.80 1.59 -0.89 2.81 2.02 -1.93 -3.33 112.91 113.98 3it5 h THR 108 Ca 0.18 -2.26 0.23 0.00 0.77 0.00 0.00 66.41 65.33 3it5 h THR 108 Cb 0.30 3.06 -0.05 0.00 -1.74 0.00 0.00 68.15 69.72 3it5 h THR 108 CO -0.00 0.62 0.61 0.00 0.37 0.00 0.00 175.52 177.12 3it5 h ALA 109 N 0.14 2.55 -1.31 6.16 0.00 -1.14 -1.98 119.26 123.69 3it5 h ALA 109 Ca -0.06 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.24 3it5 h ALA 109 Cb 1.25 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.66 3it5 h ALA 109 CO 0.08 -0.82 -0.52 1.28 0.00 0.00 0.00 179.25 179.27 3it5 n LEU 110 N -4.39 5.13 0.26 0.00 4.77 -0.55 -3.92 117.00 118.29 3it5 n LEU 110 Ca 0.19 -5.07 0.13 0.00 -0.03 0.00 0.00 56.01 51.23 3it5 n LEU 110 Cb 0.84 -0.52 0.66 0.00 -2.33 0.00 0.00 43.42 42.07 3it5 n LEU 110 CO 0.35 2.14 0.93 0.00 -1.33 0.00 0.00 177.39 179.48 3it5 n GLU 112 N -3.44 1.92 -2.75 0.00 1.02 -1.26 -5.04 120.64 111.09 3it5 n GLU 112 Ca -0.01 -3.26 -0.05 0.00 -0.02 0.00 0.00 57.16 53.82 3it5 n GLU 112 Cb 0.30 -1.84 0.01 0.00 -0.02 0.00 0.00 31.44 29.89 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 -1.10 -1.22 0.00 0.62 0.00 -0.99 -5.07 105.19 97.43 3it5 n GLY 113 Ca 0.34 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.28 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 -0.70 4.61 3.34 -0.02 0.00 -1.26 -5.15 105.19 106.01 3it5 n GLY 114 Ca 0.08 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 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 1.00 -0.36 0.04 1.61 0.15 -1.26 -5.05 113.70 109.83 3it5 s SER 115 Ca 0.00 0.33 -0.01 0.00 0.70 0.00 0.00 55.95 56.98 3it5 s SER 115 Cb 0.00 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 3it5 s SER 115 CO 0.00 -0.49 -0.03 -0.55 1.20 0.00 0.00 173.24 173.37 3it5 s SER 116 N -1.21 0.37 0.03 5.45 0.15 -1.26 -5.04 113.70 112.19 3it5 s SER 116 Ca -0.12 -0.77 0.22 0.00 0.70 0.00 0.00 55.95 55.98 3it5 s SER 116 Cb -0.03 0.16 -0.19 0.00 -1.71 0.00 0.00 66.02 64.25 3it5 s SER 116 CO 0.06 -0.47 0.74 0.35 1.20 0.00 0.00 173.24 175.12 3it5 n THR 117 N 0.78 0.15 0.00 6.45 -2.24 -1.26 -5.07 114.28 113.09 3it5 n THR 117 Ca -0.18 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3it5 n THR 117 Cb 0.58 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.29 0.07 3.60 3.38 0.00 -1.26 -4.95 105.19 107.33 3it5 n GLY 118 Ca -0.01 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 3it5 n GLY 118 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3it5 s PRO 119 N -2.00 3.16 0.16 1.61 0.02 -1.26 -4.95 135.00 131.74 3it5 s PRO 119 Ca 0.00 1.99 -0.17 0.00 0.02 0.00 0.00 61.00 62.84 3it5 s PRO 119 Cb 0.00 -4.36 0.03 0.00 0.02 0.00 0.00 34.50 30.20 3it5 s PRO 119 CO 0.00 -2.07 0.47 -3.38 -0.33 0.00 0.00 177.00 171.69 3it5 s HIS 120 N 8.15 -0.17 -0.18 6.54 -3.43 -1.26 -4.43 115.29 120.51 3it5 s HIS 120 Ca 0.99 -0.15 -0.17 0.00 -0.80 0.00 0.00 55.06 54.93 3it5 s HIS 120 Cb -0.32 0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 31.13 3it5 s HIS 120 CO 0.35 -0.82 0.44 -1.17 -2.00 0.00 0.00 174.74 171.54 3it5 s LEU 121 N -2.84 4.18 -0.28 5.38 2.96 -0.41 -4.72 118.68 122.96 3it5 s LEU 121 Ca 0.06 0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 54.39 3it5 s LEU 121 Cb 0.00 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3it5 s LEU 121 CO -0.07 -0.08 0.63 -2.28 -1.32 0.00 0.00 176.35 173.23 3it5 s HIS 122 N 1.21 3.25 -0.19 5.38 5.65 -1.04 -1.53 115.29 128.02 3it5 s HIS 122 Ca 0.22 0.72 0.01 0.00 0.25 0.00 0.00 55.06 56.25 3it5 s HIS 122 Cb -0.15 -2.91 0.04 0.00 -1.18 0.00 0.00 32.58 28.38 3it5 s HIS 122 CO 0.09 -0.39 -0.10 0.12 -0.65 0.00 0.00 174.74 173.80 3it5 s PHE 123 N 2.56 2.32 0.03 3.88 5.36 -0.64 -0.27 117.98 131.22 3it5 s PHE 123 Ca 0.26 -1.51 0.07 0.00 -0.96 0.00 0.00 56.93 54.79 3it5 s PHE 123 Cb -0.15 -1.60 -0.03 0.00 -0.34 0.00 0.00 43.02 40.90 3it5 s PHE 123 CO 0.10 -0.72 -0.19 -1.12 -1.46 0.00 0.00 175.22 171.83 3it5 s SER 124 N 1.43 3.74 -0.17 6.13 0.01 0.54 -1.88 113.70 123.49 3it5 s SER 124 Ca -0.01 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.74 3it5 s SER 124 Cb -0.16 -0.59 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 3it5 s SER 124 CO -0.08 0.26 0.12 -0.22 0.41 0.00 0.00 173.24 173.73 3it5 s LEU 125 N -1.35 4.16 0.08 2.44 2.96 0.07 -0.12 118.68 126.93 3it5 s LEU 125 Ca 0.14 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 3it5 s LEU 125 Cb -0.10 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3it5 s LEU 125 CO 0.04 0.24 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.46 3it5 s LEU 126 N -0.03 2.36 -0.08 -0.68 1.02 0.40 -1.77 118.68 119.90 3it5 s LEU 126 Ca 0.09 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 53.51 3it5 s LEU 126 Cb -0.11 -0.27 0.02 0.00 0.02 0.00 0.00 46.19 45.85 3it5 s LEU 126 CO -0.00 -0.24 -0.06 -0.47 0.02 0.00 0.00 176.35 175.60 3it5 s TYR 127 N -2.12 1.11 -1.52 0.29 5.04 -0.39 -0.70 117.35 119.07 3it5 s TYR 127 Ca 0.01 -0.45 -0.13 0.00 -2.44 0.00 0.00 57.07 54.07 3it5 s TYR 127 Cb -0.05 -0.98 0.08 0.00 0.35 0.00 0.00 41.96 41.36 3it5 s TYR 127 CO -0.00 -0.36 0.95 0.09 -1.34 0.00 0.00 175.55 174.89 3it5 n ASN 128 N 4.63 -4.43 0.00 4.32 3.02 0.08 -2.24 115.26 120.65 3it5 n ASN 128 Ca -0.15 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3it5 n ASN 128 Cb 0.50 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 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 -1.69 0.75 3.71 7.41 0.00 -1.26 -5.00 105.19 109.11 3it5 n GLY 129 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.16 3.49 -0.03 4.61 0.00 -0.95 -5.07 121.76 120.64 3it5 s ALA 130 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 3it5 s ALA 130 Cb 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 3it5 s ALA 130 CO 0.00 0.41 1.36 -0.06 0.00 0.00 0.00 175.76 177.47 3it5 s PHE 131 N -0.36 2.87 0.29 0.00 0.40 -1.26 -1.26 117.98 118.66 3it5 s PHE 131 Ca 0.09 0.89 0.11 0.00 -0.60 0.00 0.00 56.93 57.41 3it5 s PHE 131 Cb -0.12 -3.61 -0.05 0.00 0.51 0.00 0.00 43.02 39.75 3it5 s PHE 131 CO 0.02 -2.21 -0.12 0.14 0.70 0.00 0.00 175.22 173.75 3it5 s VAL 132 N 2.57 2.67 0.28 -0.44 -7.23 -0.73 -4.72 120.40 112.80 3it5 s VAL 132 Ca 0.62 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 3it5 s VAL 132 Cb -0.29 -2.51 -0.10 0.00 0.56 0.00 0.00 36.38 34.04 3it5 s VAL 132 CO 0.24 -0.35 1.23 -0.55 -0.31 0.00 0.00 175.10 175.37 3it5 s SER 133 N -3.58 6.98 0.45 4.85 0.15 -1.26 -3.95 113.70 117.34 3it5 s SER 133 Ca 0.31 2.47 0.30 0.00 0.70 0.00 0.00 55.95 59.73 3it5 s SER 133 Cb -0.04 -2.63 1.25 0.00 -1.71 0.00 0.00 66.02 62.89 3it5 s SER 133 CO 0.17 -0.40 1.90 -0.07 1.20 0.00 0.00 173.24 176.04 3it5 h LEU 134 N 4.03 0.00 -9.22 3.45 3.38 -1.18 -3.40 115.31 112.37 3it5 h LEU 134 Ca -0.47 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.80 3it5 h LEU 134 Cb 1.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.99 3it5 h LEU 134 CO 0.69 0.00 0.83 1.67 0.09 0.00 0.00 178.44 181.72 3it5 n GLN 135 N -2.80 1.39 -0.11 1.13 -0.06 -1.26 -0.29 117.38 115.38 3it5 n GLN 135 Ca 0.01 0.51 0.00 0.00 -2.00 0.00 0.00 57.00 55.52 3it5 n GLN 135 Cb 0.28 -2.21 0.00 0.00 -4.06 0.00 0.00 30.24 24.24 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 3.82 2.27 3.77 1.69 0.00 -0.25 -4.70 105.19 111.79 3it5 n GLY 136 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.93 3.22 -0.08 4.61 0.00 0.60 -4.67 121.76 122.50 3it5 s ALA 137 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3it5 s ALA 137 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3it5 s ALA 137 CO 0.00 -0.80 -0.14 -1.12 0.00 0.00 0.00 175.76 173.70 3it5 s SER 138 N -0.83 3.99 -0.18 0.00 0.01 -1.26 -0.33 113.70 115.11 3it5 s SER 138 Ca 0.58 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.58 3it5 s SER 138 Cb -0.37 -1.15 0.04 0.00 0.21 0.00 0.00 66.02 64.76 3it5 s SER 138 CO 0.47 0.27 -0.06 -0.36 0.41 0.00 0.00 173.24 173.97 3it5 s PHE 139 N -0.29 1.87 0.00 2.43 0.40 0.22 -4.51 117.98 118.10 3it5 s PHE 139 Ca 0.02 -1.22 0.00 0.00 -0.60 0.00 0.00 56.93 55.13 3it5 s PHE 139 Cb -0.13 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.01 3it5 s PHE 139 CO 0.03 -0.65 0.00 0.41 0.70 0.00 0.00 175.22 175.71 3it5 n GLY 140 N 4.83 3.26 0.00 4.36 0.00 -0.44 -0.62 105.19 116.58 3it5 n GLY 140 Ca -0.12 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 0.05 -3.19 1.61 -0.04 -1.26 -4.46 135.00 141.71 3it5 n PRO 141 Ca 0.00 -0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 3it5 n PRO 141 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.95 3.70 -0.09 0.54 2.02 0.21 -0.26 117.35 120.52 3it5 s TYR 142 Ca 0.16 1.23 0.03 0.00 -0.37 0.00 0.00 57.07 58.12 3it5 s TYR 142 Cb 0.19 -2.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 3it5 s TYR 142 CO 0.53 0.37 -0.20 0.50 -1.57 0.00 0.00 175.55 175.18 3it5 s ARG 143 N -0.26 2.88 0.01 -0.62 3.52 -0.46 0.72 118.95 124.73 3it5 s ARG 143 Ca 0.31 -0.80 -0.18 0.00 -0.13 0.00 0.00 55.73 54.93 3it5 s ARG 143 Cb -0.19 -2.36 -0.06 0.00 -1.56 0.00 0.00 34.95 30.79 3it5 s ARG 143 CO 0.18 0.34 0.52 -1.50 -0.81 0.00 0.00 175.30 174.03 3it5 s ILE 144 N -0.01 4.92 -0.24 4.11 2.07 0.56 -1.26 121.20 131.34 3it5 s ILE 144 Ca -0.06 1.09 -0.03 0.00 -1.41 0.00 0.00 60.65 60.24 3it5 s ILE 144 Cb -0.15 -3.85 0.01 0.00 0.13 0.00 0.00 42.46 38.60 3it5 s ILE 144 CO 0.05 0.49 -0.03 0.21 -1.91 0.00 0.00 174.94 173.75 3it5 s ASN 145 N -0.60 4.41 0.68 4.50 2.47 -0.66 -1.10 114.94 124.65 3it5 s ASN 145 Ca 0.28 -0.63 -0.11 0.00 0.42 0.00 0.00 52.86 52.82 3it5 s ASN 145 Cb -0.18 -1.73 -0.00 0.00 -1.45 0.00 0.00 41.25 37.89 3it5 s ASN 145 CO 0.16 -0.09 1.06 0.68 -3.72 0.00 0.00 177.10 175.19 3it5 s VAL 146 N 1.42 4.03 0.00 -5.21 -7.23 -1.26 -2.19 120.40 109.95 3it5 s VAL 146 Ca 0.03 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 3it5 s VAL 146 Cb -0.16 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.23 3it5 s VAL 146 CO -0.03 -0.86 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 3it5 n GLY 147 N -2.53 -1.03 0.00 2.32 0.00 -1.26 -4.40 105.19 98.30 3it5 n GLY 147 Ca 0.07 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.15 0.00 -4.22 2.61 -2.24 -1.26 -4.97 114.28 104.04 3it5 n THR 148 Ca 0.00 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 3it5 n THR 148 Cb 0.00 0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 3it5 n THR 148 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3it5 s SER 149 N -3.15 0.50 0.23 3.42 1.04 -1.26 -5.06 113.70 109.42 3it5 s SER 149 Ca -0.02 -1.34 -0.32 0.00 0.48 0.00 0.00 55.95 54.76 3it5 s SER 149 Cb 0.09 0.29 -0.12 0.00 0.10 0.00 0.00 66.02 66.39 3it5 s SER 149 CO 0.57 -0.77 1.71 0.59 0.98 0.00 0.00 173.24 176.32 3it5 n ASN 150 N -0.28 4.01 0.00 7.02 3.02 -1.26 -1.60 115.26 126.16 3it5 n ASN 150 Ca -0.00 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 3it5 n ASN 150 Cb 0.65 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 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 3.65 0.00 -1.67 3.10 4.02 -0.38 -4.96 117.16 120.91 3it5 n TYR 151 Ca 0.15 0.00 -0.54 0.00 -0.01 0.00 0.00 57.90 57.49 3it5 n TYR 151 Cb 0.35 -0.78 -0.06 0.00 -0.02 0.00 0.00 39.34 38.83 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 -0.13 2.68 -0.09 7.72 2.03 -0.63 -4.07 116.55 124.07 3it5 n ASP 152 Ca 0.00 0.97 0.04 0.00 0.52 0.00 0.00 54.79 56.33 3it5 n ASP 152 Cb 0.06 -1.22 0.06 0.00 -0.72 0.00 0.00 41.12 39.31 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 6.27 1.76 -4.62 1.67 0.23 -1.26 -4.04 115.26 115.26 3it5 n ASN 153 Ca 0.27 -2.40 -0.43 0.00 -0.53 0.00 0.00 54.58 51.49 3it5 n ASN 153 Cb 0.19 -0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 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 -1.75 6.29 0.65 0.53 -1.08 -1.26 -4.56 116.67 115.49 3it5 s ASP 154 Ca 0.14 1.56 0.37 0.00 -0.52 0.00 0.00 52.55 54.10 3it5 s ASP 154 Cb 0.12 -2.53 2.03 0.00 -1.46 0.00 0.00 42.92 41.08 3it5 s ASP 154 CO 0.01 -1.34 2.18 0.00 0.52 0.00 0.00 175.17 176.54 3it5 h ARG 156 N 0.00 0.23 0.00 0.00 3.08 -2.02 -3.37 114.38 112.31 3it5 h ARG 156 Ca 0.01 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 3it5 h ARG 156 Cb 0.30 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3it5 h ARG 156 CO -0.00 0.32 -1.41 0.54 -1.07 0.00 0.00 179.97 178.36 3it5 n ARG 157 N -4.33 0.88 -3.80 0.04 1.74 0.10 -4.96 116.66 106.33 3it5 n ARG 157 Ca -0.01 0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.74 3it5 n ARG 157 Cb 0.22 -1.14 -0.13 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.14 3.06 0.18 -1.55 5.04 0.56 -4.00 117.35 118.50 3it5 s TYR 158 Ca -0.08 -0.73 -0.20 0.00 -2.44 0.00 0.00 57.07 53.62 3it5 s TYR 158 Cb 0.02 -2.20 0.04 0.00 0.35 0.00 0.00 41.96 40.18 3it5 s TYR 158 CO 0.18 -0.47 0.56 1.52 -1.34 0.00 0.00 175.55 176.00 3it5 s TYR 159 N 1.54 -0.30 -0.21 4.97 -0.85 -0.93 -3.90 117.35 117.67 3it5 s TYR 159 Ca 0.05 -0.00 -0.06 0.00 -0.52 0.00 0.00 57.07 56.54 3it5 s TYR 159 Cb -0.15 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 3it5 s TYR 159 CO 0.01 -0.91 0.03 -0.06 -1.52 0.00 0.00 175.55 173.10 3it5 s PHE 160 N -3.82 3.08 -0.29 -3.49 0.08 -0.24 -1.65 117.98 111.64 3it5 s PHE 160 Ca 0.05 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.66 3it5 s PHE 160 Cb -0.01 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 3it5 s PHE 160 CO -0.07 -0.23 0.07 -0.47 -0.10 0.00 0.00 175.22 174.43 3it5 s TYR 161 N 1.11 3.15 -0.55 0.36 5.04 -0.39 0.26 117.35 126.34 3it5 s TYR 161 Ca 0.03 -1.05 -0.27 0.00 -2.44 0.00 0.00 57.07 53.33 3it5 s TYR 161 Cb -0.14 -2.24 -0.00 0.00 0.35 0.00 0.00 41.96 39.92 3it5 s TYR 161 CO 0.02 -0.60 1.61 1.21 -1.34 0.00 0.00 175.55 176.45 3it5 s ASN 162 N 1.48 5.83 0.50 4.32 3.84 0.17 -1.36 114.94 129.72 3it5 s ASN 162 Ca 0.02 0.42 0.33 0.00 0.21 0.00 0.00 52.86 53.84 3it5 s ASN 162 Cb -0.17 -2.54 1.38 0.00 -0.55 0.00 0.00 41.25 39.37 3it5 s ASN 162 CO 0.02 -1.92 1.96 1.56 -2.79 0.00 0.00 177.10 175.93 3it5 h GLN 163 N 12.50 0.00 0.16 0.43 4.20 -0.94 0.97 115.11 132.44 3it5 h GLN 163 Ca -0.28 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.10 3it5 h GLN 163 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3it5 h GLN 163 CO 1.17 0.00 -1.69 0.66 -0.67 0.00 0.00 178.83 178.31 3it5 h SER 164 N 0.00 0.53 0.39 1.46 4.64 -1.90 -3.40 113.55 115.28 3it5 h SER 164 Ca 0.00 -0.92 -0.05 0.00 -0.47 0.00 0.00 61.79 60.35 3it5 h SER 164 Cb 0.44 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3it5 h SER 164 CO 0.00 1.75 -1.66 0.00 -0.87 0.00 0.00 176.83 176.06 3it5 n ALA 165 N -2.91 2.51 -0.90 5.18 0.00 -1.15 -4.99 120.51 118.25 3it5 n ALA 165 Ca -0.26 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3it5 n ALA 165 Cb 1.02 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 1.29 0.48 3.86 0.00 0.00 0.32 -5.04 105.19 106.10 3it5 n GLY 166 Ca -0.06 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 5.23 -0.21 2.61 -4.23 -1.21 -4.92 115.64 110.90 3it5 s THR 167 Ca 0.00 0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 3it5 s THR 167 Cb 0.00 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 3it5 s THR 167 CO 0.00 0.53 0.04 -0.89 -0.54 0.00 0.00 174.62 173.76 3it5 s THR 168 N -1.13 4.34 -0.21 3.99 2.01 -1.26 -0.66 115.64 122.73 3it5 s THR 168 Ca 0.23 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 3it5 s THR 168 Cb -0.14 -2.98 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 3it5 s THR 168 CO 0.11 0.41 -0.07 -1.00 -0.69 0.00 0.00 174.62 173.38 3it5 s HIS 169 N 1.00 2.92 0.55 4.92 3.76 0.14 -4.97 115.29 123.61 3it5 s HIS 169 Ca 0.03 -1.03 -0.01 0.00 -0.15 0.00 0.00 55.06 53.90 3it5 s HIS 169 Cb -0.14 -2.06 0.03 0.00 1.11 0.00 0.00 32.58 31.51 3it5 s HIS 169 CO 0.03 -0.57 0.79 0.00 -0.85 0.00 0.00 174.74 174.13 3it5 s ALA 171 N -2.79 2.00 -1.69 0.00 0.00 -1.26 -3.61 121.76 114.41 3it5 s ALA 171 Ca 0.55 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3it5 s ALA 171 Cb -0.10 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3it5 s ALA 171 CO 0.40 -2.04 0.00 1.19 0.00 0.00 0.00 175.76 175.31 3it5 n PHE 172 N -3.13 0.00 -4.66 0.00 0.99 0.12 -4.93 117.46 105.85 3it5 n PHE 172 Ca 0.12 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.30 3it5 n PHE 172 Cb 0.51 -3.00 -0.14 0.00 -1.00 0.00 0.00 39.48 35.85 3it5 n PHE 172 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3it5 s ARG 173 N -3.32 1.53 0.17 -1.08 0.52 -1.24 -4.93 118.95 110.61 3it5 s ARG 173 Ca 0.00 -1.11 -0.33 0.00 -0.52 0.00 0.00 55.73 53.77 3it5 s ARG 173 Cb 0.00 -1.76 -0.12 0.00 0.52 0.00 0.00 34.95 33.58 3it5 s ARG 173 CO 0.00 0.44 1.70 -2.30 0.02 0.00 0.00 175.30 175.16 3it5 n PRO 174 N 1.56 2.56 -3.83 3.54 -0.02 -1.26 -4.26 135.00 133.28 3it5 n PRO 174 Ca -0.17 0.92 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 3it5 n PRO 174 Cb 0.53 -2.75 -0.13 0.00 -0.02 0.00 0.00 33.50 31.12 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 1.36 4.00 0.30 2.45 2.96 0.12 -4.93 118.68 124.94 3it5 s LEU 175 Ca 0.78 -1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 3it5 s LEU 175 Cb -0.56 -1.79 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 3it5 s LEU 175 CO 0.35 -0.27 1.24 -0.47 -1.32 0.00 0.00 176.35 175.89 3it5 s TYR 176 N 1.35 3.24 -0.39 5.38 6.14 -1.26 -3.28 117.35 128.52 3it5 s TYR 176 Ca -0.02 1.48 -0.06 0.00 0.64 0.00 0.00 57.07 59.10 3it5 s TYR 176 Cb -0.19 -3.55 0.08 0.00 0.42 0.00 0.00 41.96 38.72 3it5 s TYR 176 CO 0.01 -1.45 0.19 1.21 0.64 0.00 0.00 175.55 176.15 3it5 s ASN 177 N -0.50 5.40 0.00 4.32 2.47 -0.93 -4.95 114.94 120.75 3it5 s ASN 177 Ca 0.48 -1.57 0.27 0.00 0.42 0.00 0.00 52.86 52.47 3it5 s ASN 177 Cb -0.37 -1.90 1.17 0.00 -1.45 0.00 0.00 41.25 38.70 3it5 s ASN 177 CO 0.47 -0.48 1.80 -0.81 -3.72 0.00 0.00 177.10 174.37 3it5 n PRO 178 N 4.78 1.51 0.00 0.43 -0.04 -1.26 -0.44 135.00 139.98 3it5 n PRO 178 Ca -0.09 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 3it5 n PRO 178 Cb 0.43 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.11 -0.45 3.74 0.55 0.00 -1.26 -4.89 105.19 103.99 3it5 n GLY 179 Ca 0.19 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 4.46 0.00 0.99 1.43 -1.26 -3.90 118.68 120.40 3it5 s LEU 180 Ca 0.00 1.57 0.25 0.00 -1.03 0.00 0.00 54.13 54.93 3it5 s LEU 180 Cb 0.00 -3.36 1.51 0.00 0.03 0.00 0.00 46.19 44.36 3it5 s LEU 180 CO 0.00 -0.02 1.87 0.00 0.23 0.00 0.00 176.35 178.42