#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it7 s PRO 2 N 0.00 0.91 0.22 0.00 0.02 -1.26 -4.92 135.00 129.97 3it7 s PRO 2 Ca 0.00 0.84 -0.31 0.00 0.02 0.00 0.00 61.00 61.55 3it7 s PRO 2 Cb 0.00 -1.77 -0.15 0.00 0.02 0.00 0.00 34.50 32.60 3it7 s PRO 2 CO 0.00 -2.48 1.10 -2.30 -0.33 0.00 0.00 177.00 172.98 3it7 n PRO 3 N -4.05 1.23 -0.03 5.54 -0.02 -1.26 -4.70 135.00 131.71 3it7 n PRO 3 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3it7 n PRO 3 Cb 0.55 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3it7 n PRO 3 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3it7 n SER 4 N 1.74 1.88 0.00 2.55 3.41 -1.26 -2.24 113.62 119.70 3it7 n SER 4 Ca 0.13 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 3it7 n SER 4 Cb 0.28 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3it7 n SER 4 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3it7 n ASN 5 N 0.81 0.11 -0.07 4.04 2.85 -1.26 -4.71 115.26 117.03 3it7 n ASN 5 Ca 0.00 -0.12 -0.09 0.00 -0.11 0.00 0.00 54.58 54.26 3it7 n ASN 5 Cb 0.29 0.26 -0.08 0.00 1.24 0.00 0.00 39.78 41.49 3it7 n ASN 5 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 3it7 n LEU 6 N -0.27 1.65 -4.38 1.20 7.94 -0.95 -4.80 117.00 117.38 3it7 n LEU 6 Ca 0.00 -0.05 -0.30 0.00 -1.11 0.00 0.00 56.01 54.56 3it7 n LEU 6 Cb 0.00 -0.17 -0.14 0.00 0.53 0.00 0.00 43.42 43.65 3it7 n LEU 6 CO 0.00 0.56 -0.56 -0.04 -1.11 0.00 0.00 177.39 176.24 3it7 s MET 7 N -2.31 1.70 0.42 1.96 -1.94 -1.26 -4.46 119.30 113.41 3it7 s MET 7 Ca -0.14 -1.18 0.07 0.00 -1.71 0.00 0.00 55.69 52.72 3it7 s MET 7 Cb 0.05 -1.98 -0.06 0.00 2.01 0.00 0.00 34.83 34.85 3it7 s MET 7 CO 0.43 0.49 0.12 1.14 -0.01 0.00 0.00 175.02 177.19 3it7 s GLN 8 N -1.59 2.13 0.50 2.03 -2.07 0.36 -0.64 119.66 120.39 3it7 s GLN 8 Ca 0.13 -1.97 -0.22 0.00 -1.82 0.00 0.00 55.36 51.48 3it7 s GLN 8 Cb -0.10 -1.84 -0.06 0.00 -1.09 0.00 0.00 33.01 29.91 3it7 s GLN 8 CO 0.04 -0.12 1.23 -0.51 -1.32 0.00 0.00 175.29 174.61 3it7 s LEU 9 N -3.85 3.92 -0.03 2.60 1.43 -1.26 -4.53 118.68 116.96 3it7 s LEU 9 Ca 0.37 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3it7 s LEU 9 Cb 0.06 -4.30 0.03 0.00 0.03 0.00 0.00 46.19 42.01 3it7 s LEU 9 CO 0.20 -1.20 1.35 -0.81 0.23 0.00 0.00 176.35 176.12 3it7 n PRO 10 N -0.80 1.07 -4.33 1.29 -0.04 -1.26 -4.74 135.00 126.19 3it7 n PRO 10 Ca 0.09 -0.15 -0.17 0.00 -0.04 0.00 0.00 63.50 63.23 3it7 n PRO 10 Cb 0.47 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.77 3it7 n PRO 10 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3it7 s TRP 11 N -0.17 1.56 0.31 0.54 -2.14 -1.26 -1.57 118.94 116.21 3it7 s TRP 11 Ca 0.03 -1.08 -0.30 0.00 2.66 0.00 0.00 56.10 57.41 3it7 s TRP 11 Cb 0.02 -0.93 -0.12 0.00 -3.10 0.00 0.00 33.47 29.35 3it7 s TRP 11 CO 0.00 -0.22 1.50 0.54 -2.66 0.00 0.00 176.95 176.11 3it7 n ARG 12 N -0.46 2.50 -1.67 3.25 1.74 -1.26 -4.77 116.66 115.98 3it7 n ARG 12 Ca -0.02 0.88 -0.45 0.00 -0.77 0.00 0.00 57.85 57.49 3it7 n ARG 12 Cb 0.66 -2.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.46 3it7 n ARG 12 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3it7 n GLN 13 N 1.58 2.09 -0.17 5.56 7.27 -1.26 -1.70 117.38 130.74 3it7 n GLN 13 Ca 0.07 0.75 0.00 0.00 0.07 0.00 0.00 57.00 57.89 3it7 n GLN 13 Cb 0.36 -2.44 0.00 0.00 2.41 0.00 0.00 30.24 30.57 3it7 n GLN 13 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3it7 n GLY 14 N 2.46 0.60 3.46 1.69 0.00 0.83 -5.02 105.19 109.22 3it7 n GLY 14 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3it7 n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3it7 s TYR 15 N -2.37 2.19 -0.10 1.61 2.02 -0.69 -4.88 117.35 115.14 3it7 s TYR 15 Ca 0.00 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 3it7 s TYR 15 Cb 0.00 -1.06 0.02 0.00 -0.40 0.00 0.00 41.96 40.52 3it7 s TYR 15 CO 0.00 0.59 -0.08 -1.12 -1.57 0.00 0.00 175.55 173.37 3it7 s SER 16 N -3.50 1.98 0.30 2.29 0.01 -1.26 -1.19 113.70 112.33 3it7 s SER 16 Ca 0.29 -0.27 0.10 0.00 1.31 0.00 0.00 55.95 57.38 3it7 s SER 16 Cb -0.02 -0.78 -0.06 0.00 0.21 0.00 0.00 66.02 65.37 3it7 s SER 16 CO 0.14 -0.09 -0.15 0.26 0.41 0.00 0.00 173.24 173.81 3it7 s TRP 17 N 1.48 2.27 -0.30 2.43 0.52 -1.17 -4.69 118.94 119.48 3it7 s TRP 17 Ca 0.00 -0.43 -0.14 0.00 0.02 0.00 0.00 56.10 55.55 3it7 s TRP 17 Cb -0.13 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.03 3it7 s TRP 17 CO -0.05 0.62 0.34 -0.65 0.02 0.00 0.00 176.95 177.23 3it7 s GLN 18 N -3.57 3.84 0.37 4.98 -0.21 0.86 -0.22 119.66 125.72 3it7 s GLN 18 Ca 0.30 -0.18 -0.14 0.00 0.02 0.00 0.00 55.36 55.36 3it7 s GLN 18 Cb -0.02 -3.71 -0.08 0.00 1.00 0.00 0.00 33.01 30.20 3it7 s GLN 18 CO 0.15 -0.35 0.78 -1.25 -2.12 0.00 0.00 175.29 172.50 3it7 s PRO 19 N 2.01 3.94 0.25 2.91 0.04 -1.26 -1.94 135.00 140.95 3it7 s PRO 19 Ca 0.13 0.66 0.04 0.00 0.04 0.00 0.00 61.00 61.87 3it7 s PRO 19 Cb -0.16 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.04 3it7 s PRO 19 CO 0.11 0.04 0.31 0.27 0.04 0.00 0.00 177.00 177.77 3it7 n ASN 20 N -0.79 1.15 -4.77 6.66 6.94 -0.14 -0.31 115.26 124.00 3it7 n ASN 20 Ca 0.04 -1.72 -0.38 0.00 -0.02 0.00 0.00 54.58 52.50 3it7 n ASN 20 Cb 0.54 -0.15 -0.01 0.00 -2.36 0.00 0.00 39.78 37.80 3it7 n ASN 20 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3it7 s GLY 21 N -3.06 2.82 0.59 4.83 0.00 -1.26 -4.46 107.32 106.79 3it7 s GLY 21 Ca 0.24 1.00 -0.20 0.00 0.00 0.00 0.00 44.72 45.76 3it7 s GLY 21 CO 0.15 1.49 1.32 0.00 0.00 0.00 0.00 173.10 176.06 3it7 n ALA 22 N -0.31 1.35 -3.76 3.20 0.00 -1.26 -4.17 120.51 115.57 3it7 n ALA 22 Ca 0.06 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 3it7 n ALA 22 Cb 0.47 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 3it7 n ALA 22 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3it7 s HIS 23 N -1.33 -0.24 0.83 0.00 -3.43 0.80 -0.86 115.29 111.06 3it7 s HIS 23 Ca 0.76 -0.17 -0.12 0.00 -0.80 0.00 0.00 55.06 54.73 3it7 s HIS 23 Cb -0.40 0.67 0.09 0.00 -1.43 0.00 0.00 32.58 31.50 3it7 s HIS 23 CO 0.46 -1.16 1.11 -1.54 -2.00 0.00 0.00 174.74 171.61 3it7 s SER 24 N -2.89 4.24 0.27 7.38 1.04 -1.25 -0.07 113.70 122.42 3it7 s SER 24 Ca 0.09 1.19 -0.03 0.00 0.48 0.00 0.00 55.95 57.69 3it7 s SER 24 Cb -0.05 -1.87 0.39 0.00 0.10 0.00 0.00 66.02 64.59 3it7 s SER 24 CO 0.03 -2.12 1.91 -1.13 0.98 0.00 0.00 173.24 172.92 3it7 h ASN 25 N -1.19 1.04 1.34 7.02 -1.24 -1.93 -1.67 115.58 118.95 3it7 h ASN 25 Ca -0.48 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 56.45 3it7 h ASN 25 Cb 1.29 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.09 3it7 h ASN 25 CO 0.60 0.71 -0.37 0.71 -1.29 0.00 0.00 177.43 177.79 3it7 h THR 26 N 1.20 0.70 0.00 -3.57 1.35 -1.96 -3.48 112.91 107.16 3it7 h THR 26 Ca 0.39 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3it7 h THR 26 Cb 0.03 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3it7 h THR 26 CO -0.13 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 3it7 n GLY 27 N 0.84 0.83 0.10 5.82 0.00 -0.63 -4.86 105.19 107.31 3it7 n GLY 27 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3it7 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3it7 n SER 28 N 0.00 0.24 0.00 1.61 3.41 -1.26 -4.78 113.62 112.83 3it7 n SER 28 Ca 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3it7 n SER 28 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3it7 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3it7 n GLY 29 N -0.08 3.97 3.28 5.00 0.00 -1.26 -5.06 105.19 111.03 3it7 n GLY 29 Ca 0.00 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 3it7 n GLY 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3it7 s TYR 30 N 2.58 -0.27 0.78 1.61 5.04 -1.26 -4.52 117.35 121.31 3it7 s TYR 30 Ca 0.00 0.46 -0.10 0.00 -2.44 0.00 0.00 57.07 54.99 3it7 s TYR 30 Cb 0.00 0.14 0.08 0.00 0.35 0.00 0.00 41.96 42.54 3it7 s TYR 30 CO 0.00 -0.40 1.12 -1.25 -1.34 0.00 0.00 175.55 173.68 3it7 s PRO 31 N -1.16 1.93 -1.14 4.97 0.04 -1.26 -5.01 135.00 133.37 3it7 s PRO 31 Ca -0.12 -0.12 -0.20 0.00 0.04 0.00 0.00 61.00 60.60 3it7 s PRO 31 Cb -0.04 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.53 3it7 s PRO 31 CO 0.05 -1.53 1.55 0.71 0.04 0.00 0.00 177.00 177.82 3it7 s TYR 32 N -3.46 2.71 -1.23 0.56 2.02 -1.26 -3.84 117.35 112.85 3it7 s TYR 32 Ca 0.62 -1.25 0.25 0.00 -0.37 0.00 0.00 57.07 56.32 3it7 s TYR 32 Cb -0.10 -4.68 0.45 0.00 -0.40 0.00 0.00 41.96 37.23 3it7 s TYR 32 CO 0.48 -1.83 1.37 -1.13 -1.57 0.00 0.00 175.55 172.86 3it7 n SER 33 N 8.39 0.75 -4.13 2.29 3.41 -0.78 -1.36 113.62 122.19 3it7 n SER 33 Ca 0.39 -0.55 -0.18 0.00 -0.26 0.00 0.00 58.87 58.27 3it7 n SER 33 Cb 0.48 0.33 -0.13 0.00 -0.26 0.00 0.00 64.21 64.63 3it7 n SER 33 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3it7 s SER 34 N -2.86 1.52 0.08 4.04 0.01 0.90 -0.34 113.70 117.05 3it7 s SER 34 Ca 0.14 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.91 3it7 s SER 34 Cb 0.18 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 3it7 s SER 34 CO 0.67 -0.03 -0.07 0.72 0.41 0.00 0.00 173.24 174.94 3it7 s PHE 35 N -1.03 0.80 0.13 2.43 -0.12 -0.10 -0.14 117.98 119.96 3it7 s PHE 35 Ca -0.01 -0.75 0.03 0.00 -0.05 0.00 0.00 56.93 56.15 3it7 s PHE 35 Cb -0.09 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 3it7 s PHE 35 CO 0.01 -0.12 0.22 -0.51 -0.05 0.00 0.00 175.22 174.77 3it7 s ASP 36 N -2.45 6.09 -0.00 1.98 1.01 -1.26 -1.38 116.67 120.66 3it7 s ASP 36 Ca 0.03 0.10 -0.09 0.00 0.71 0.00 0.00 52.55 53.31 3it7 s ASP 36 Cb -0.01 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.15 3it7 s ASP 36 CO -0.03 0.08 0.18 0.00 0.21 0.00 0.00 175.17 175.61 3it7 s ALA 37 N -1.68 -0.43 -0.13 5.23 0.00 -0.36 -0.97 121.76 123.43 3it7 s ALA 37 Ca 0.33 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 3it7 s ALA 37 Cb -0.11 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.15 3it7 s ALA 37 CO 0.27 -0.21 0.59 0.45 0.00 0.00 0.00 175.76 176.85 3it7 s SER 38 N -1.32 -0.58 0.16 0.00 0.15 -0.82 -0.60 113.70 110.70 3it7 s SER 38 Ca -0.14 0.85 -0.16 0.00 0.70 0.00 0.00 55.95 57.21 3it7 s SER 38 Cb -0.07 0.83 0.07 0.00 -1.71 0.00 0.00 66.02 65.14 3it7 s SER 38 CO 0.02 -0.40 1.76 0.22 1.20 0.00 0.00 173.24 176.04 3it7 h TYR 39 N 4.12 0.30 0.00 3.44 3.20 -1.87 0.25 116.97 126.41 3it7 h TYR 39 Ca -0.28 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3it7 h TYR 39 Cb 1.16 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3it7 h TYR 39 CO 0.41 0.14 0.00 -0.40 -1.64 0.00 0.00 178.16 176.67 3it7 n ASP 40 N -4.97 0.17 -3.73 -2.11 5.75 -1.26 -4.19 116.55 106.21 3it7 n ASP 40 Ca 0.02 -1.00 -0.33 0.00 -0.01 0.00 0.00 54.79 53.47 3it7 n ASP 40 Cb 0.12 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.25 3it7 n ASP 40 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3it7 n TRP 41 N -0.00 -1.85 -2.35 2.11 7.02 -1.26 -4.98 117.44 116.13 3it7 n TRP 41 Ca 0.00 0.42 -0.12 0.00 -1.02 0.00 0.00 57.50 56.78 3it7 n TRP 41 Cb 0.21 -3.38 0.06 0.00 -2.42 0.00 0.00 31.31 25.78 3it7 n TRP 41 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3it7 n PRO 42 N -4.29 0.20 -1.83 -0.99 -0.04 -1.26 -5.00 135.00 121.79 3it7 n PRO 42 Ca -0.10 -1.31 -0.31 0.00 -0.04 0.00 0.00 63.50 61.74 3it7 n PRO 42 Cb 0.59 -0.35 0.02 0.00 -0.04 0.00 0.00 33.50 33.72 3it7 n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3it7 s ARG 43 N -3.77 3.32 0.38 0.54 0.52 -1.26 -3.98 118.95 114.71 3it7 s ARG 43 Ca 0.33 0.71 -0.25 0.00 -0.52 0.00 0.00 55.73 55.99 3it7 s ARG 43 Cb -0.02 -2.05 -0.12 0.00 0.52 0.00 0.00 34.95 33.28 3it7 s ARG 43 CO 0.22 -0.76 1.01 0.91 0.02 0.00 0.00 175.30 176.70 3it7 n TRP 44 N -2.87 1.21 -0.10 -0.53 7.02 -1.26 -2.74 117.44 118.17 3it7 n TRP 44 Ca 0.06 0.59 0.00 0.00 -1.02 0.00 0.00 57.50 57.14 3it7 n TRP 44 Cb 0.55 -2.24 0.00 0.00 -2.42 0.00 0.00 31.31 27.20 3it7 n TRP 44 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3it7 n GLY 45 N 1.18 0.63 3.91 6.99 0.00 0.73 -5.02 105.19 113.61 3it7 n GLY 45 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3it7 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3it7 s SER 46 N -2.70 5.55 0.40 1.61 0.01 -1.11 -5.04 113.70 112.42 3it7 s SER 46 Ca 0.00 0.82 -0.27 0.00 1.31 0.00 0.00 55.95 57.81 3it7 s SER 46 Cb 0.00 -1.76 -0.09 0.00 0.21 0.00 0.00 66.02 64.38 3it7 s SER 46 CO 0.00 -1.14 1.39 0.00 0.41 0.00 0.00 173.24 173.90 3it7 s ALA 47 N -3.09 3.38 0.38 1.44 0.00 -1.26 -4.74 121.76 117.86 3it7 s ALA 47 Ca 0.55 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.94 3it7 s ALA 47 Cb -0.11 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 3it7 s ALA 47 CO 0.47 -0.95 0.06 0.95 0.00 0.00 0.00 175.76 176.28 3it7 s THR 48 N -1.19 1.17 0.27 0.00 -4.23 -1.26 -5.01 115.64 105.40 3it7 s THR 48 Ca 0.56 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 3it7 s THR 48 Cb -0.42 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 3it7 s THR 48 CO 0.55 0.00 0.13 -0.31 -0.54 0.00 0.00 174.62 174.45 3it7 s TYR 49 N -3.14 1.52 -0.02 3.99 2.02 -1.26 -4.96 117.35 115.50 3it7 s TYR 49 Ca 0.30 -1.29 -0.30 0.00 -0.37 0.00 0.00 57.07 55.41 3it7 s TYR 49 Cb 0.07 -0.84 -0.05 0.00 -0.40 0.00 0.00 41.96 40.74 3it7 s TYR 49 CO 0.14 -0.45 1.33 -1.12 -1.57 0.00 0.00 175.55 173.88 3it7 s SER 50 N -3.32 6.92 -0.07 2.29 0.01 -1.26 -2.82 113.70 115.44 3it7 s SER 50 Ca 0.37 2.01 -0.15 0.00 1.31 0.00 0.00 55.95 59.49 3it7 s SER 50 Cb 0.06 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 3it7 s SER 50 CO 0.15 -0.67 0.37 -0.69 0.41 0.00 0.00 173.24 172.81 3it7 s VAL 51 N 2.36 5.16 0.21 3.43 1.01 0.68 -4.12 120.40 129.13 3it7 s VAL 51 Ca 0.61 0.74 0.09 0.00 0.00 0.00 0.00 61.98 63.42 3it7 s VAL 51 Cb -0.29 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3it7 s VAL 51 CO 0.25 0.49 -0.16 0.68 0.00 0.00 0.00 175.10 176.35 3it7 s VAL 52 N -0.37 1.89 0.25 2.92 -7.23 -0.61 -0.73 120.40 116.52 3it7 s VAL 52 Ca 0.22 -2.17 -0.31 0.00 -1.81 0.00 0.00 61.98 57.91 3it7 s VAL 52 Cb -0.15 -2.04 -0.12 0.00 0.56 0.00 0.00 36.38 34.63 3it7 s VAL 52 CO 0.10 -0.49 1.62 0.00 -0.31 0.00 0.00 175.10 176.01 3it7 n ALA 53 N -0.25 2.39 0.20 1.32 0.00 -0.05 -4.44 120.51 119.68 3it7 n ALA 53 Ca -0.09 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.82 3it7 n ALA 53 Cb 0.59 -2.45 0.29 0.00 0.00 0.00 0.00 19.45 17.88 3it7 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3it7 h ALA 54 N 5.49 0.91 -2.99 0.00 0.00 -1.85 0.11 119.26 120.93 3it7 h ALA 54 Ca -0.45 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.22 3it7 h ALA 54 Cb 1.22 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3it7 h ALA 54 CO 0.85 0.37 0.21 -3.38 0.00 0.00 0.00 179.25 177.30 3it7 s HIS 55 N -3.39 -0.03 0.55 0.00 -3.43 -1.26 -0.49 115.29 107.23 3it7 s HIS 55 Ca 0.02 -0.47 -0.17 0.00 -0.80 0.00 0.00 55.06 53.64 3it7 s HIS 55 Cb 0.09 0.69 -0.06 0.00 -1.43 0.00 0.00 32.58 31.87 3it7 s HIS 55 CO 0.67 -1.31 1.04 0.00 -2.00 0.00 0.00 174.74 173.14 3it7 s ALA 56 N -3.46 2.85 0.00 -1.38 0.00 -1.26 -3.68 121.76 114.83 3it7 s ALA 56 Ca 0.14 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3it7 s ALA 56 Cb -0.05 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3it7 s ALA 56 CO 0.09 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3it7 n GLY 57 N -0.95 -1.01 3.65 0.00 0.00 -0.51 -3.99 105.19 102.37 3it7 n GLY 57 Ca 0.08 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 3it7 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3it7 s THR 58 N -2.98 5.25 0.22 2.61 2.01 -0.18 -1.39 115.64 121.18 3it7 s THR 58 Ca 0.00 0.50 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 3it7 s THR 58 Cb 0.00 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 3it7 s THR 58 CO 0.00 0.26 1.14 -0.69 -0.69 0.00 0.00 174.62 174.64 3it7 s VAL 59 N 1.42 3.62 -0.06 3.82 1.01 -0.02 -1.50 120.40 128.69 3it7 s VAL 59 Ca 0.14 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.61 3it7 s VAL 59 Cb -0.15 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3it7 s VAL 59 CO 0.07 0.28 -0.14 -0.13 0.00 0.00 0.00 175.10 175.18 3it7 s ARG 60 N -0.71 1.75 -0.29 2.72 1.81 0.18 -0.04 118.95 124.37 3it7 s ARG 60 Ca 0.49 -0.49 -0.13 0.00 -1.72 0.00 0.00 55.73 53.88 3it7 s ARG 60 Cb -0.32 -1.46 -0.04 0.00 -0.45 0.00 0.00 34.95 32.69 3it7 s ARG 60 CO 0.38 0.10 0.28 0.08 -0.68 0.00 0.00 175.30 175.46 3it7 s VAL 61 N 0.44 5.24 -0.11 3.52 1.01 -1.26 -0.71 120.40 128.53 3it7 s VAL 61 Ca -0.11 0.27 0.22 0.00 0.00 0.00 0.00 61.98 62.36 3it7 s VAL 61 Cb -0.14 -3.64 -0.21 0.00 0.00 0.00 0.00 36.38 32.39 3it7 s VAL 61 CO 0.03 0.16 0.66 0.18 0.00 0.00 0.00 175.10 176.13 3it7 n LEU 62 N 5.20 0.33 0.00 3.92 4.77 -0.07 -4.96 117.00 126.18 3it7 n LEU 62 Ca -0.11 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 3it7 n LEU 62 Cb 0.51 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3it7 n LEU 62 CO 0.36 -0.03 0.84 -1.54 -1.33 0.00 0.00 177.39 175.69 3it7 n SER 63 N -2.46 -1.13 0.00 -1.43 3.41 -1.13 -4.92 113.62 105.96 3it7 n SER 63 Ca -0.05 -1.37 0.05 0.00 -0.26 0.00 0.00 58.87 57.24 3it7 n SER 63 Cb 0.61 1.78 0.22 0.00 -0.26 0.00 0.00 64.21 66.56 3it7 n SER 63 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3it7 n ARG 64 N -0.71 0.03 0.00 4.33 1.85 -1.26 -3.03 116.66 117.87 3it7 n ARG 64 Ca 0.02 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 3it7 n ARG 64 Cb 0.48 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 3it7 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3it7 s GLN 66 N -0.66 0.03 0.00 0.00 0.74 -1.17 -0.84 119.66 117.76 3it7 s GLN 66 Ca 0.00 0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.72 3it7 s GLN 66 Cb 0.00 -0.22 -0.01 0.00 1.10 0.00 0.00 33.01 33.89 3it7 s GLN 66 CO 0.00 -0.17 -0.06 0.08 -0.55 0.00 0.00 175.29 174.59 3it7 s VAL 67 N 1.15 0.48 0.00 1.34 1.01 -0.21 -0.89 120.40 123.27 3it7 s VAL 67 Ca -0.09 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3it7 s VAL 67 Cb -0.12 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3it7 s VAL 67 CO -0.05 0.06 -0.25 -0.60 0.00 0.00 0.00 175.10 174.26 3it7 s ARG 68 N -0.35 2.03 -0.14 2.72 6.06 0.11 -0.44 118.95 128.95 3it7 s ARG 68 Ca 0.01 -0.98 0.01 0.00 -2.50 0.00 0.00 55.73 52.27 3it7 s ARG 68 Cb -0.03 -2.06 0.02 0.00 0.06 0.00 0.00 34.95 32.94 3it7 s ARG 68 CO -0.00 0.55 -0.15 0.08 -2.50 0.00 0.00 175.30 173.28 3it7 s VAL 69 N -0.71 1.56 -0.18 7.11 1.01 -0.32 -0.65 120.40 128.22 3it7 s VAL 69 Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3it7 s VAL 69 Cb -0.10 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.84 3it7 s VAL 69 CO 0.01 0.46 -0.17 -0.89 0.00 0.00 0.00 175.10 174.50 3it7 s THR 70 N 1.35 2.36 0.36 3.92 2.01 -0.56 -1.25 115.64 123.84 3it7 s THR 70 Ca 0.02 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 60.96 3it7 s THR 70 Cb -0.13 -2.01 -0.10 0.00 0.01 0.00 0.00 72.50 70.27 3it7 s THR 70 CO -0.08 0.52 0.89 -2.28 -0.69 0.00 0.00 174.62 172.97 3it7 s HIS 71 N 1.24 3.45 0.53 4.92 2.46 0.21 -1.01 115.29 127.09 3it7 s HIS 71 Ca 0.03 1.57 0.24 0.00 0.47 0.00 0.00 55.06 57.37 3it7 s HIS 71 Cb -0.14 -2.79 1.38 0.00 -0.13 0.00 0.00 32.58 30.90 3it7 s HIS 71 CO -0.09 0.05 2.01 -1.35 -2.47 0.00 0.00 174.74 172.89 3it7 h PRO 72 N 2.43 0.01 0.00 2.88 0.11 -1.86 0.92 132.00 136.49 3it7 h PRO 72 Ca -0.48 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3it7 h PRO 72 Cb 1.18 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3it7 h PRO 72 CO 0.63 0.01 -0.01 0.66 -0.21 0.00 0.00 178.00 179.08 3it7 h SER 73 N 0.01 0.00 0.00 -2.05 4.64 -1.98 -3.46 113.55 110.71 3it7 h SER 73 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3it7 h SER 73 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3it7 h SER 73 CO -0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3it7 n GLY 74 N -1.12 2.26 3.77 -0.77 0.00 0.32 -4.92 105.19 104.71 3it7 n GLY 74 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3it7 n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3it7 s TRP 75 N -2.34 2.82 0.18 1.61 0.52 -1.26 -1.44 118.94 119.03 3it7 s TRP 75 Ca 0.00 1.43 -0.13 0.00 0.02 0.00 0.00 56.10 57.43 3it7 s TRP 75 Cb 0.00 -3.63 0.01 0.00 -1.15 0.00 0.00 33.47 28.70 3it7 s TRP 75 CO 0.00 -2.01 0.39 0.00 0.02 0.00 0.00 176.95 175.35 3it7 s ALA 76 N -1.30 -0.40 0.03 0.98 0.00 0.06 -0.62 121.76 120.51 3it7 s ALA 76 Ca 0.58 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.96 3it7 s ALA 76 Cb -0.37 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 3it7 s ALA 76 CO 0.47 -0.72 -0.09 0.95 0.00 0.00 0.00 175.76 176.37 3it7 s THR 77 N -3.93 0.66 -0.00 0.00 -4.23 -0.38 -0.89 115.64 106.87 3it7 s THR 77 Ca 0.14 -0.81 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 3it7 s THR 77 Cb 0.01 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 3it7 s THR 77 CO -0.01 -0.13 -0.21 0.21 -0.54 0.00 0.00 174.62 173.94 3it7 s ASN 78 N -1.04 3.52 -0.14 3.99 2.47 -0.50 -1.18 114.94 122.07 3it7 s ASN 78 Ca -0.03 -0.40 -0.00 0.00 0.42 0.00 0.00 52.86 52.84 3it7 s ASN 78 Cb -0.07 -0.54 0.03 0.00 -1.45 0.00 0.00 41.25 39.22 3it7 s ASN 78 CO 0.00 0.30 -0.07 -0.31 -3.72 0.00 0.00 177.10 173.31 3it7 s TYR 79 N -0.75 1.60 0.13 0.43 1.51 0.42 -1.39 117.35 119.29 3it7 s TYR 79 Ca 0.12 -0.90 0.06 0.00 -1.01 0.00 0.00 57.07 55.34 3it7 s TYR 79 Cb -0.10 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 3it7 s TYR 79 CO 0.01 -0.56 -0.14 -0.47 -1.11 0.00 0.00 175.55 173.28 3it7 s TYR 80 N 1.67 1.42 -0.95 2.71 5.04 0.36 -1.05 117.35 126.55 3it7 s TYR 80 Ca 0.03 -0.56 -0.02 0.00 -2.44 0.00 0.00 57.07 54.08 3it7 s TYR 80 Cb -0.14 -0.74 0.00 0.00 0.35 0.00 0.00 41.96 41.44 3it7 s TYR 80 CO -0.08 0.15 0.29 0.72 -1.34 0.00 0.00 175.55 175.29 3it7 n HIS 81 N 0.48 -1.05 -1.79 4.97 8.25 -0.24 -1.40 115.22 124.45 3it7 n HIS 81 Ca -0.15 0.25 -0.31 0.00 -0.26 0.00 0.00 57.72 57.25 3it7 n HIS 81 Cb 0.57 -3.02 0.04 0.00 1.12 0.00 0.00 29.99 28.70 3it7 n HIS 81 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3it7 s MET 82 N -5.09 3.09 0.20 -0.41 -1.94 -0.02 -0.25 119.30 114.87 3it7 s MET 82 Ca 0.14 0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 54.70 3it7 s MET 82 Cb -0.06 -2.03 -0.01 0.00 2.01 0.00 0.00 34.83 34.74 3it7 s MET 82 CO 0.18 -0.92 0.35 0.34 -0.01 0.00 0.00 175.02 174.96 3it7 s ASP 83 N -4.14 -0.01 -1.50 3.03 2.15 0.48 -4.07 116.67 112.61 3it7 s ASP 83 Ca 0.57 -0.95 -0.11 0.00 0.43 0.00 0.00 52.55 52.49 3it7 s ASP 83 Cb -0.12 0.50 0.07 0.00 -0.30 0.00 0.00 42.92 43.07 3it7 s ASP 83 CO 0.53 -0.99 0.91 0.00 -0.17 0.00 0.00 175.17 175.46 3it7 n GLN 84 N -0.30 -5.28 -1.75 4.34 6.02 -1.26 -1.40 117.38 117.76 3it7 n GLN 84 Ca -0.04 0.59 -0.42 0.00 -0.01 0.00 0.00 57.00 57.12 3it7 n GLN 84 Cb 0.63 -5.39 -0.03 0.00 1.02 0.00 0.00 30.24 26.47 3it7 n GLN 84 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3it7 s ILE 85 N -3.38 2.73 -0.23 5.09 1.01 -1.26 -4.37 121.20 120.79 3it7 s ILE 85 Ca 0.54 0.13 0.16 0.00 0.00 0.00 0.00 60.65 61.48 3it7 s ILE 85 Cb -0.27 -3.08 0.41 0.00 0.01 0.00 0.00 42.46 39.52 3it7 s ILE 85 CO 0.83 -0.00 1.30 0.00 0.00 0.00 0.00 174.94 177.07 3it7 n GLN 86 N 6.07 2.46 -4.45 2.79 10.64 -0.35 -4.98 117.38 129.56 3it7 n GLN 86 Ca 0.18 -2.61 -0.24 0.00 -1.83 0.00 0.00 57.00 52.49 3it7 n GLN 86 Cb 0.39 -1.64 -0.10 0.00 -0.86 0.00 0.00 30.24 28.03 3it7 n GLN 86 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 3it7 s VAL 87 N -2.55 2.40 0.23 -0.39 -7.23 -1.26 -5.01 120.40 106.59 3it7 s VAL 87 Ca 0.35 -2.30 0.11 0.00 -1.81 0.00 0.00 61.98 58.33 3it7 s VAL 87 Cb 0.28 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 3it7 s VAL 87 CO 0.07 -0.34 -0.20 -0.44 -0.31 0.00 0.00 175.10 173.89 3it7 s SER 88 N -3.28 3.64 0.06 4.85 0.01 -1.26 -4.95 113.70 112.77 3it7 s SER 88 Ca 0.27 -0.90 -0.35 0.00 1.31 0.00 0.00 55.95 56.28 3it7 s SER 88 Cb -0.05 -0.35 -0.14 0.00 0.21 0.00 0.00 66.02 65.68 3it7 s SER 88 CO 0.13 0.08 1.57 0.59 0.41 0.00 0.00 173.24 176.02 3it7 n ASN 89 N -0.20 2.67 0.00 2.44 3.02 -1.26 -1.37 115.26 120.56 3it7 n ASN 89 Ca -0.09 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 3it7 n ASN 89 Cb 0.58 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 3it7 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it7 n GLY 90 N 3.39 1.35 3.76 7.41 0.00 0.94 -5.00 105.19 117.04 3it7 n GLY 90 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3it7 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3it7 s GLN 91 N -0.43 4.36 -0.09 1.61 0.74 -0.47 -4.69 119.66 120.69 3it7 s GLN 91 Ca 0.00 2.18 -0.20 0.00 0.05 0.00 0.00 55.36 57.39 3it7 s GLN 91 Cb 0.00 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 3it7 s GLN 91 CO 0.00 -0.24 0.57 -1.14 -0.55 0.00 0.00 175.29 173.93 3it7 s GLN 92 N -1.06 4.37 0.23 1.67 2.00 -1.26 -0.84 119.66 124.76 3it7 s GLN 92 Ca 0.53 0.63 0.04 0.00 -2.00 0.00 0.00 55.36 54.56 3it7 s GLN 92 Cb -0.39 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 29.94 3it7 s GLN 92 CO 0.47 0.15 -0.01 0.14 -0.50 0.00 0.00 175.29 175.54 3it7 s VAL 93 N 0.58 1.09 0.37 1.34 -7.23 -0.48 -4.99 120.40 111.07 3it7 s VAL 93 Ca 0.31 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.51 3it7 s VAL 93 Cb -0.16 -2.33 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 3it7 s VAL 93 CO 0.14 -0.34 -0.04 -0.44 -0.31 0.00 0.00 175.10 174.10 3it7 s SER 94 N -3.31 3.67 0.23 4.85 0.01 -1.26 -1.43 113.70 116.46 3it7 s SER 94 Ca 0.28 -1.28 -0.29 0.00 1.31 0.00 0.00 55.95 55.97 3it7 s SER 94 Cb 0.05 -0.35 -0.15 0.00 0.21 0.00 0.00 66.02 65.78 3it7 s SER 94 CO 0.09 -0.33 0.91 0.00 0.41 0.00 0.00 173.24 174.31 3it7 n ALA 95 N -0.85 -1.16 -0.95 1.44 0.00 -1.24 -1.69 120.51 116.06 3it7 n ALA 95 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3it7 n ALA 95 Cb 0.65 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3it7 n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3it7 n ASP 96 N 1.60 -0.98 -4.68 0.00 2.03 0.39 -4.95 116.55 109.96 3it7 n ASP 96 Ca 0.13 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 3it7 n ASP 96 Cb 0.28 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 40.15 3it7 n ASP 96 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3it7 s THR 97 N -3.09 4.04 0.23 5.18 2.01 -0.68 -4.76 115.64 118.57 3it7 s THR 97 Ca 0.00 1.37 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 3it7 s THR 97 Cb 0.00 -3.88 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 3it7 s THR 97 CO 0.00 -0.02 1.49 -0.75 -0.69 0.00 0.00 174.62 174.66 3it7 s LYS 98 N 2.46 4.23 -0.15 4.92 2.20 -1.26 -0.87 119.74 131.27 3it7 s LYS 98 Ca 0.59 2.36 0.15 0.00 -0.36 0.00 0.00 55.97 58.71 3it7 s LYS 98 Cb -0.27 -3.11 -0.21 0.00 -1.51 0.00 0.00 37.83 32.73 3it7 s LYS 98 CO 0.23 -0.50 0.10 1.28 -0.36 0.00 0.00 175.35 176.10 3it7 n LEU 99 N 2.71 0.00 0.00 5.43 4.77 0.09 -4.77 117.00 125.24 3it7 n LEU 99 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3it7 n LEU 99 Cb 0.39 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3it7 n LEU 99 CO 0.61 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3it7 n GLY 100 N 1.92 -0.40 3.52 -0.72 0.00 -1.18 -1.21 105.19 107.10 3it7 n GLY 100 Ca -0.24 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 3it7 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3it7 s VAL 101 N -3.90 1.73 0.29 1.61 -7.23 -0.49 -0.23 120.40 112.19 3it7 s VAL 101 Ca 0.00 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 57.89 3it7 s VAL 101 Cb 0.00 -2.76 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 3it7 s VAL 101 CO 0.00 -0.10 0.84 -0.72 -0.31 0.00 0.00 175.10 174.80 3it7 s TYR 102 N -2.93 3.61 0.32 2.82 -0.85 -1.13 -0.39 117.35 118.81 3it7 s TYR 102 Ca 0.34 1.55 -0.29 0.00 -0.52 0.00 0.00 57.07 58.15 3it7 s TYR 102 Cb 0.07 -2.76 -0.10 0.00 0.38 0.00 0.00 41.96 39.56 3it7 s TYR 102 CO 0.16 0.22 1.20 0.00 -1.52 0.00 0.00 175.55 175.61 3it7 s ALA 103 N -1.67 3.42 -1.41 9.51 0.00 0.65 -4.56 121.76 127.70 3it7 s ALA 103 Ca 0.49 1.08 0.25 0.00 0.00 0.00 0.00 51.96 53.78 3it7 s ALA 103 Cb -0.16 -3.40 0.54 0.00 0.00 0.00 0.00 23.12 20.10 3it7 s ALA 103 CO 0.21 -0.43 1.43 0.41 0.00 0.00 0.00 175.76 177.38 3it7 n GLY 104 N 0.94 -0.87 3.09 0.00 0.00 -1.26 -4.39 105.19 102.70 3it7 n GLY 104 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 3it7 n GLY 104 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3it7 s ASN 105 N -2.74 0.70 0.17 1.61 0.01 -1.26 -0.20 114.94 113.24 3it7 s ASN 105 Ca 0.17 -0.82 -0.17 0.00 -0.71 0.00 0.00 52.86 51.33 3it7 s ASN 105 Cb 0.18 0.12 0.10 0.00 0.41 0.00 0.00 41.25 42.06 3it7 s ASN 105 CO 0.62 -0.43 1.66 0.40 -1.51 0.00 0.00 177.10 177.84 3it7 h ILE 106 N 3.63 0.54 -0.63 0.60 2.04 -1.98 0.96 117.51 122.67 3it7 h ILE 106 Ca -0.34 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3it7 h ILE 106 Cb 1.17 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3it7 h ILE 106 CO 0.56 0.00 0.40 0.78 0.00 0.00 0.00 178.15 179.89 3it7 h ASN 107 N -0.04 0.66 0.34 1.72 2.35 -1.97 -1.21 115.58 117.43 3it7 h ASN 107 Ca 0.20 -0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.62 3it7 h ASN 107 Cb 0.34 -0.15 0.03 0.00 0.05 0.00 0.00 38.32 38.59 3it7 h ASN 107 CO -0.44 0.47 -1.45 0.71 -1.65 0.00 0.00 177.43 175.07 3it7 h THR 108 N 0.79 1.30 -0.03 2.81 1.35 -1.90 -3.28 112.91 113.96 3it7 h THR 108 Ca 0.25 -2.77 -0.09 0.00 -0.55 0.00 0.00 66.41 63.24 3it7 h THR 108 Cb -0.02 3.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 3it7 h THR 108 CO -0.09 0.83 -0.41 0.00 -0.25 0.00 0.00 175.52 175.61 3it7 h ALA 109 N 0.25 1.27 -1.31 6.62 0.00 -0.72 -3.25 119.26 122.12 3it7 h ALA 109 Ca -0.24 -0.38 -0.63 0.00 0.00 0.00 0.00 54.91 53.66 3it7 h ALA 109 Cb 2.13 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 19.46 3it7 h ALA 109 CO 0.25 0.53 -0.31 1.28 0.00 0.00 0.00 179.25 181.01 3it7 n LEU 110 N -4.04 5.43 0.28 0.00 4.77 -0.47 -4.26 117.00 118.70 3it7 n LEU 110 Ca -0.02 -5.06 0.19 0.00 -0.03 0.00 0.00 56.01 51.09 3it7 n LEU 110 Cb 0.45 -0.59 0.91 0.00 -2.33 0.00 0.00 43.42 41.86 3it7 n LEU 110 CO 0.40 2.10 1.05 0.00 -1.33 0.00 0.00 177.39 179.61 3it7 n GLU 112 N -2.91 2.06 0.00 0.00 1.02 -1.26 -5.01 120.64 114.53 3it7 n GLU 112 Ca -0.01 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 3it7 n GLU 112 Cb 0.16 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3it7 n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3it7 n GLY 113 N 1.12 0.35 0.00 0.62 0.00 -0.43 -5.14 105.19 101.71 3it7 n GLY 113 Ca 0.14 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3it7 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3it7 n GLY 114 N 0.46 -0.36 3.38 -0.02 0.00 -1.26 -4.91 105.19 102.48 3it7 n GLY 114 Ca 0.00 -2.23 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 3it7 n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3it7 s SER 115 N -4.00 3.13 0.02 1.61 0.01 -1.26 -4.96 113.70 108.25 3it7 s SER 115 Ca 0.00 -0.83 -0.28 0.00 1.31 0.00 0.00 55.95 56.15 3it7 s SER 115 Cb 0.00 -0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.10 3it7 s SER 115 CO 0.00 0.08 0.69 -0.55 0.41 0.00 0.00 173.24 173.88 3it7 s SER 116 N -2.49 -0.58 0.14 2.44 0.15 -1.26 -5.07 113.70 107.03 3it7 s SER 116 Ca 0.17 0.38 0.06 0.00 0.70 0.00 0.00 55.95 57.25 3it7 s SER 116 Cb -0.08 0.53 -0.13 0.00 -1.71 0.00 0.00 66.02 64.63 3it7 s SER 116 CO 0.08 -0.72 1.32 0.71 1.20 0.00 0.00 173.24 175.83 3it7 h THR 117 N 2.52 1.64 0.00 6.45 1.35 -2.01 -3.50 112.91 119.37 3it7 h THR 117 Ca -0.28 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.42 3it7 h THR 117 Cb 1.21 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.37 3it7 h THR 117 CO 0.37 0.91 0.00 0.61 -0.25 0.00 0.00 175.52 177.16 3it7 n GLY 118 N 1.18 -2.39 3.69 5.82 0.00 -1.26 -4.75 105.19 107.48 3it7 n GLY 118 Ca -0.01 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3it7 n GLY 118 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3it7 s PRO 119 N -2.00 4.13 -0.03 1.61 0.02 -1.26 -4.98 135.00 132.50 3it7 s PRO 119 Ca 0.00 2.62 -0.29 0.00 0.02 0.00 0.00 61.00 63.34 3it7 s PRO 119 Cb 0.00 -3.61 0.11 0.00 0.02 0.00 0.00 34.50 31.02 3it7 s PRO 119 CO 0.00 -0.85 0.92 -3.38 -0.33 0.00 0.00 177.00 173.36 3it7 s HIS 120 N 2.80 -0.32 0.02 6.54 -3.43 -1.26 -4.49 115.29 115.15 3it7 s HIS 120 Ca 0.82 0.20 -0.21 0.00 -0.80 0.00 0.00 55.06 55.06 3it7 s HIS 120 Cb -0.46 0.54 -0.06 0.00 -1.43 0.00 0.00 32.58 31.17 3it7 s HIS 120 CO 0.37 -0.51 0.61 -1.17 -2.00 0.00 0.00 174.74 172.04 3it7 s LEU 121 N -2.45 4.44 -0.32 5.38 2.96 0.23 -4.62 118.68 124.31 3it7 s LEU 121 Ca 0.05 1.21 -0.10 0.00 -0.22 0.00 0.00 54.13 55.08 3it7 s LEU 121 Cb -0.01 -2.95 -0.00 0.00 0.50 0.00 0.00 46.19 43.72 3it7 s LEU 121 CO -0.09 0.13 0.17 -2.28 -1.32 0.00 0.00 176.35 172.96 3it7 s HIS 122 N -0.36 3.19 -0.09 5.38 5.65 -0.49 -1.22 115.29 127.34 3it7 s HIS 122 Ca 0.31 -0.59 0.04 0.00 0.25 0.00 0.00 55.06 55.07 3it7 s HIS 122 Cb -0.19 -2.37 -0.01 0.00 -1.18 0.00 0.00 32.58 28.83 3it7 s HIS 122 CO 0.18 -0.47 -0.22 0.12 -0.65 0.00 0.00 174.74 173.70 3it7 s PHE 123 N 1.61 2.58 0.05 3.88 5.36 -0.48 -0.48 117.98 130.50 3it7 s PHE 123 Ca 0.04 -0.87 0.03 0.00 -0.96 0.00 0.00 56.93 55.18 3it7 s PHE 123 Cb -0.17 -1.70 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 3it7 s PHE 123 CO 0.07 -0.31 -0.10 -1.12 -1.46 0.00 0.00 175.22 172.29 3it7 s SER 124 N 0.18 1.15 -0.13 6.13 0.01 -0.49 -0.92 113.70 119.63 3it7 s SER 124 Ca -0.13 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 3it7 s SER 124 Cb -0.16 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 3it7 s SER 124 CO 0.07 -0.14 0.07 -0.22 0.41 0.00 0.00 173.24 173.44 3it7 s LEU 125 N -1.53 3.96 0.08 2.44 2.96 0.54 -1.41 118.68 125.72 3it7 s LEU 125 Ca -0.06 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 3it7 s LEU 125 Cb -0.09 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3it7 s LEU 125 CO 0.01 0.32 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.51 3it7 s LEU 126 N -0.51 2.37 -0.01 -0.68 1.02 -0.07 -1.98 118.68 118.83 3it7 s LEU 126 Ca 0.11 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.50 3it7 s LEU 126 Cb -0.12 -0.24 0.02 0.00 0.02 0.00 0.00 46.19 45.87 3it7 s LEU 126 CO 0.02 -0.27 0.02 -0.47 0.02 0.00 0.00 176.35 175.67 3it7 s TYR 127 N -2.27 0.07 -1.58 0.29 5.04 -0.13 -0.76 117.35 118.01 3it7 s TYR 127 Ca 0.02 0.07 -0.04 0.00 -2.44 0.00 0.00 57.07 54.68 3it7 s TYR 127 Cb -0.04 -0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.09 3it7 s TYR 127 CO -0.01 -0.07 0.54 -1.71 -1.34 0.00 0.00 175.55 172.97 3it7 n ASN 128 N 3.82 -6.08 0.00 4.32 5.15 -0.52 -1.62 115.26 120.34 3it7 n ASN 128 Ca -0.23 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 3it7 n ASN 128 Cb 0.53 -4.93 0.00 0.00 -0.53 0.00 0.00 39.78 34.85 3it7 n ASN 128 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3it7 n GLY 129 N -1.47 1.32 3.66 8.20 0.00 -1.26 -5.01 105.19 110.63 3it7 n GLY 129 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3it7 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it7 s ALA 130 N -3.22 3.23 0.19 4.61 0.00 -0.64 -5.09 121.76 120.85 3it7 s ALA 130 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 3it7 s ALA 130 Cb 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.70 3it7 s ALA 130 CO 0.00 0.63 1.42 -0.06 0.00 0.00 0.00 175.76 177.74 3it7 s PHE 131 N -1.02 3.13 0.20 0.00 0.40 -1.26 -0.95 117.98 118.48 3it7 s PHE 131 Ca 0.18 1.00 0.07 0.00 -0.60 0.00 0.00 56.93 57.57 3it7 s PHE 131 Cb -0.11 -3.75 -0.05 0.00 0.51 0.00 0.00 43.02 39.62 3it7 s PHE 131 CO 0.08 -2.52 -0.12 0.14 0.70 0.00 0.00 175.22 173.50 3it7 s VAL 132 N 0.44 1.55 0.42 -0.44 -7.23 -0.84 -4.81 120.40 109.50 3it7 s VAL 132 Ca 0.61 -2.16 -0.26 0.00 -1.81 0.00 0.00 61.98 58.37 3it7 s VAL 132 Cb -0.40 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 3it7 s VAL 132 CO 0.37 -0.59 1.36 -0.55 -0.31 0.00 0.00 175.10 175.38 3it7 s SER 133 N -3.29 6.12 0.40 4.85 0.15 -1.26 -3.88 113.70 116.78 3it7 s SER 133 Ca 0.22 2.77 0.26 0.00 0.70 0.00 0.00 55.95 59.90 3it7 s SER 133 Cb 0.01 -2.64 0.68 0.00 -1.71 0.00 0.00 66.02 62.36 3it7 s SER 133 CO 0.06 -0.99 1.72 -0.07 1.20 0.00 0.00 173.24 175.16 3it7 h LEU 134 N 2.53 0.00 -9.01 3.45 3.38 -1.50 -3.43 115.31 110.73 3it7 h LEU 134 Ca -0.50 0.00 -0.81 0.00 0.09 0.00 0.00 57.88 56.66 3it7 h LEU 134 Cb 1.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.01 3it7 h LEU 134 CO 0.62 0.00 0.83 1.67 0.09 0.00 0.00 178.44 181.65 3it7 n GLN 135 N -2.85 0.53 -0.82 1.13 -0.06 -1.26 -0.45 117.38 113.61 3it7 n GLN 135 Ca 0.04 0.19 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 3it7 n GLN 135 Cb 0.44 -1.79 0.00 0.00 -4.06 0.00 0.00 30.24 24.84 3it7 n GLN 135 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3it7 n GLY 136 N 4.31 1.25 3.77 1.69 0.00 -0.52 -4.37 105.19 111.33 3it7 n GLY 136 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 3it7 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it7 s ALA 137 N -3.69 2.90 -0.11 4.61 0.00 0.41 -4.52 121.76 121.36 3it7 s ALA 137 Ca 0.00 0.93 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 3it7 s ALA 137 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3it7 s ALA 137 CO 0.00 -0.72 -0.03 -1.12 0.00 0.00 0.00 175.76 173.89 3it7 s SER 138 N -1.42 4.94 -0.27 0.00 0.01 -1.26 -1.16 113.70 114.53 3it7 s SER 138 Ca 0.66 -0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.92 3it7 s SER 138 Cb -0.28 -1.52 0.08 0.00 0.21 0.00 0.00 66.02 64.50 3it7 s SER 138 CO 0.34 0.29 0.01 -0.36 0.41 0.00 0.00 173.24 173.93 3it7 s PHE 139 N -0.37 2.32 0.00 2.43 0.40 0.19 -4.39 117.98 118.56 3it7 s PHE 139 Ca 0.06 -1.88 0.00 0.00 -0.60 0.00 0.00 56.93 54.51 3it7 s PHE 139 Cb -0.12 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.61 3it7 s PHE 139 CO 0.02 -0.82 0.00 0.41 0.70 0.00 0.00 175.22 175.53 3it7 n GLY 140 N 4.68 3.53 0.05 4.36 0.00 0.19 -1.57 105.19 116.42 3it7 n GLY 140 Ca -0.06 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.04 3it7 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3it7 n PRO 141 N 14.00 0.61 -3.09 1.61 -0.04 -1.26 -4.55 135.00 142.28 3it7 n PRO 141 Ca 0.00 -0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 62.98 3it7 n PRO 141 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 3it7 n PRO 141 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3it7 s TYR 142 N -2.45 3.60 -0.21 0.54 2.02 -0.61 -0.84 117.35 119.40 3it7 s TYR 142 Ca 0.31 1.23 -0.08 0.00 -0.37 0.00 0.00 57.07 58.16 3it7 s TYR 142 Cb 0.20 -2.76 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 3it7 s TYR 142 CO 0.45 0.14 0.08 0.50 -1.57 0.00 0.00 175.55 175.15 3it7 s ARG 143 N 0.59 3.88 0.05 -0.62 3.52 0.42 -0.64 118.95 126.15 3it7 s ARG 143 Ca 0.36 -0.38 -0.23 0.00 -0.13 0.00 0.00 55.73 55.34 3it7 s ARG 143 Cb -0.18 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 3it7 s ARG 143 CO 0.18 0.10 0.70 -1.50 -0.81 0.00 0.00 175.30 173.97 3it7 s ILE 144 N 0.85 4.74 -0.15 4.11 2.07 -0.31 -0.53 121.20 131.97 3it7 s ILE 144 Ca 0.04 1.50 0.01 0.00 -1.41 0.00 0.00 60.65 60.78 3it7 s ILE 144 Cb -0.14 -4.05 -0.00 0.00 0.13 0.00 0.00 42.46 38.40 3it7 s ILE 144 CO 0.02 0.41 -0.16 0.21 -1.91 0.00 0.00 174.94 173.52 3it7 s ASN 145 N -0.30 3.59 0.17 4.50 2.47 0.57 -1.43 114.94 124.51 3it7 s ASN 145 Ca 0.35 -0.48 -0.17 0.00 0.42 0.00 0.00 52.86 52.97 3it7 s ASN 145 Cb -0.20 -1.55 -0.07 0.00 -1.45 0.00 0.00 41.25 37.98 3it7 s ASN 145 CO 0.21 0.09 0.63 -0.69 -3.72 0.00 0.00 177.10 173.62 3it7 s VAL 146 N 0.81 4.71 0.00 -5.21 1.01 -1.26 -2.13 120.40 118.32 3it7 s VAL 146 Ca -0.06 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3it7 s VAL 146 Cb -0.15 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3it7 s VAL 146 CO -0.00 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3it7 n GLY 147 N 0.93 -1.14 0.56 4.51 0.00 -1.26 -4.59 105.19 104.20 3it7 n GLY 147 Ca -0.05 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.41 3it7 n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3it7 n THR 148 N -1.12 0.61 -3.76 2.61 -2.24 -1.26 -4.99 114.28 104.13 3it7 n THR 148 Ca 0.00 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 60.88 3it7 n THR 148 Cb 0.00 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 3it7 n THR 148 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3it7 s SER 149 N -0.97 -0.23 0.11 3.42 1.04 -1.26 -5.06 113.70 110.75 3it7 s SER 149 Ca 0.19 -0.52 -0.34 0.00 0.48 0.00 0.00 55.95 55.77 3it7 s SER 149 Cb 0.11 0.57 -0.13 0.00 0.10 0.00 0.00 66.02 66.66 3it7 s SER 149 CO 0.15 -1.04 1.66 0.59 0.98 0.00 0.00 173.24 175.57 3it7 n ASN 150 N -0.33 3.24 0.00 7.02 3.02 -1.26 -1.41 115.26 125.53 3it7 n ASN 150 Ca -0.10 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 3it7 n ASN 150 Cb 0.62 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3it7 n ASN 150 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3it7 n TYR 151 N 4.19 0.00 -1.69 3.10 4.02 -0.04 -4.96 117.16 121.78 3it7 n TYR 151 Ca 0.18 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.56 3it7 n TYR 151 Cb 0.30 -1.05 -0.05 0.00 -0.02 0.00 0.00 39.34 38.51 3it7 n TYR 151 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3it7 n ASP 152 N -0.47 3.16 -0.05 7.72 2.03 -0.50 -4.25 116.55 124.19 3it7 n ASP 152 Ca 0.00 1.00 0.03 0.00 0.52 0.00 0.00 54.79 56.34 3it7 n ASP 152 Cb 0.24 -1.31 0.04 0.00 -0.72 0.00 0.00 41.12 39.37 3it7 n ASP 152 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3it7 n ASN 153 N 6.30 1.72 -4.67 1.67 0.23 -1.26 -3.98 115.26 115.28 3it7 n ASN 153 Ca 0.24 -2.17 -0.42 0.00 -0.53 0.00 0.00 54.58 51.69 3it7 n ASN 153 Cb 0.25 -0.13 -0.03 0.00 -2.08 0.00 0.00 39.78 37.79 3it7 n ASN 153 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3it7 s ASP 154 N -1.39 6.60 0.06 0.53 -1.08 -1.26 -4.60 116.67 115.53 3it7 s ASP 154 Ca 0.09 2.41 0.19 0.00 -0.52 0.00 0.00 52.55 54.71 3it7 s ASP 154 Cb 0.08 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.77 3it7 s ASP 154 CO 0.01 -0.94 1.58 0.00 0.52 0.00 0.00 175.17 176.34 3it7 h ARG 156 N 0.00 0.00 0.00 0.00 2.43 -2.03 -3.38 114.38 111.41 3it7 h ARG 156 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3it7 h ARG 156 Cb 0.32 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3it7 h ARG 156 CO 0.00 0.10 -1.25 0.54 -1.51 0.00 0.00 179.97 177.85 3it7 n ARG 157 N -3.23 0.10 -3.78 0.20 1.74 -0.22 -5.00 116.66 106.47 3it7 n ARG 157 Ca 0.01 0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.75 3it7 n ARG 157 Cb 0.37 -0.96 -0.12 0.00 -1.02 0.00 0.00 32.46 30.74 3it7 n ARG 157 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3it7 s TYR 158 N -2.09 3.12 0.05 -1.55 5.04 0.85 -4.15 117.35 118.63 3it7 s TYR 158 Ca -0.06 -0.29 -0.28 0.00 -2.44 0.00 0.00 57.07 54.00 3it7 s TYR 158 Cb 0.02 -2.23 0.09 0.00 0.35 0.00 0.00 41.96 40.19 3it7 s TYR 158 CO 0.09 -0.27 0.98 1.52 -1.34 0.00 0.00 175.55 176.53 3it7 s TYR 159 N 1.46 -0.21 -0.17 4.97 -0.85 -0.91 -4.06 117.35 117.58 3it7 s TYR 159 Ca 0.06 0.01 -0.04 0.00 -0.52 0.00 0.00 57.07 56.57 3it7 s TYR 159 Cb -0.15 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 3it7 s TYR 159 CO 0.04 -0.62 -0.02 -0.06 -1.52 0.00 0.00 175.55 173.38 3it7 s PHE 160 N -3.08 3.06 -0.25 -3.49 0.08 -0.24 -0.31 117.98 113.75 3it7 s PHE 160 Ca 0.09 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.80 3it7 s PHE 160 Cb -0.01 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 3it7 s PHE 160 CO -0.03 -0.03 0.12 -0.47 -0.10 0.00 0.00 175.22 174.70 3it7 s TYR 161 N 0.44 3.18 -0.59 0.36 5.04 0.31 -0.07 117.35 126.02 3it7 s TYR 161 Ca -0.02 -0.09 -0.23 0.00 -2.44 0.00 0.00 57.07 54.29 3it7 s TYR 161 Cb -0.14 -2.26 0.05 0.00 0.35 0.00 0.00 41.96 39.97 3it7 s TYR 161 CO 0.02 -0.15 0.92 1.21 -1.34 0.00 0.00 175.55 176.21 3it7 s ASN 162 N 1.36 6.26 0.56 4.32 3.84 0.30 -0.43 114.94 131.14 3it7 s ASN 162 Ca 0.06 -0.66 0.34 0.00 0.21 0.00 0.00 52.86 52.81 3it7 s ASN 162 Cb -0.15 -2.41 1.47 0.00 -0.55 0.00 0.00 41.25 39.61 3it7 s ASN 162 CO 0.05 -1.27 2.02 1.56 -2.79 0.00 0.00 177.10 176.68 3it7 h GLN 163 N 9.38 0.00 0.00 0.43 4.20 -1.29 0.16 115.11 127.98 3it7 h GLN 163 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3it7 h GLN 163 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3it7 h GLN 163 CO 1.11 0.02 -0.10 0.77 -0.67 0.00 0.00 178.83 179.96 3it7 h SER 164 N 0.00 0.00 0.00 1.46 0.02 -1.92 -3.39 113.55 109.73 3it7 h SER 164 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3it7 h SER 164 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3it7 h SER 164 CO 0.00 0.01 -0.40 0.00 -1.14 0.00 0.00 176.83 175.30 3it7 n ALA 165 N -1.95 1.34 -1.25 3.77 0.00 -0.92 -5.02 120.51 116.48 3it7 n ALA 165 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 3it7 n ALA 165 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3it7 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3it7 n GLY 166 N 1.27 0.83 3.67 0.00 0.00 0.51 -5.03 105.19 106.44 3it7 n GLY 166 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 3it7 n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3it7 s THR 167 N -2.24 3.81 -0.10 2.61 -4.23 -1.20 -4.95 115.64 109.34 3it7 s THR 167 Ca 0.00 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3it7 s THR 167 Cb 0.00 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 3it7 s THR 167 CO 0.00 -0.05 -0.07 -0.89 -0.54 0.00 0.00 174.62 173.07 3it7 s THR 168 N -1.62 3.66 -0.13 3.99 2.01 -1.26 -0.54 115.64 121.75 3it7 s THR 168 Ca 0.27 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.81 3it7 s THR 168 Cb -0.10 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.90 3it7 s THR 168 CO 0.19 0.56 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.50 3it7 s HIS 169 N -0.38 2.28 0.41 4.92 3.76 0.89 -4.96 115.29 122.22 3it7 s HIS 169 Ca 0.05 -1.15 0.07 0.00 -0.15 0.00 0.00 55.06 53.88 3it7 s HIS 169 Cb -0.12 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 31.97 3it7 s HIS 169 CO 0.02 -0.56 0.57 0.00 -0.85 0.00 0.00 174.74 173.92 3it7 s ALA 171 N -2.36 2.32 -1.68 0.00 0.00 -1.26 -3.62 121.76 115.16 3it7 s ALA 171 Ca 0.52 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 3it7 s ALA 171 Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3it7 s ALA 171 CO 0.33 -1.59 0.21 1.19 0.00 0.00 0.00 175.76 175.90 3it7 n PHE 172 N -2.15 -1.36 -4.16 0.00 3.01 0.57 -4.96 117.46 108.41 3it7 n PHE 172 Ca 0.14 0.18 -0.15 0.00 1.01 0.00 0.00 57.45 58.63 3it7 n PHE 172 Cb 0.49 -4.10 -0.13 0.00 -0.01 0.00 0.00 39.48 35.73 3it7 n PHE 172 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3it7 s ARG 173 N -5.28 0.55 0.23 -1.08 0.52 -1.24 -5.00 118.95 107.65 3it7 s ARG 173 Ca 0.11 -0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 54.53 3it7 s ARG 173 Cb -0.05 -0.45 -0.14 0.00 0.52 0.00 0.00 34.95 34.83 3it7 s ARG 173 CO 0.13 0.11 1.34 -2.30 0.02 0.00 0.00 175.30 174.60 3it7 n PRO 174 N 2.26 1.83 -4.07 3.54 -0.02 -1.26 -4.28 135.00 133.00 3it7 n PRO 174 Ca -0.17 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.64 3it7 n PRO 174 Cb 0.56 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.63 3it7 n PRO 174 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3it7 s LEU 175 N 0.18 3.34 0.25 2.45 2.96 0.69 -4.89 118.68 123.66 3it7 s LEU 175 Ca 0.68 -1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 52.98 3it7 s LEU 175 Cb -0.69 -1.55 -0.09 0.00 0.50 0.00 0.00 46.19 44.36 3it7 s LEU 175 CO 0.51 -0.17 1.25 -0.47 -1.32 0.00 0.00 176.35 176.14 3it7 s TYR 176 N 1.12 3.30 -0.44 5.38 6.14 -1.26 -3.02 117.35 128.57 3it7 s TYR 176 Ca -0.08 1.41 -0.10 0.00 0.64 0.00 0.00 57.07 58.94 3it7 s TYR 176 Cb -0.19 -3.53 0.09 0.00 0.42 0.00 0.00 41.96 38.75 3it7 s TYR 176 CO -0.06 -1.49 0.29 1.21 0.64 0.00 0.00 175.55 176.15 3it7 s ASN 177 N -0.18 5.70 0.00 4.32 2.47 -0.33 -4.94 114.94 121.98 3it7 s ASN 177 Ca 0.51 -1.59 0.19 0.00 0.42 0.00 0.00 52.86 52.40 3it7 s ASN 177 Cb -0.36 -2.01 0.80 0.00 -1.45 0.00 0.00 41.25 38.23 3it7 s ASN 177 CO 0.43 -0.59 1.56 -0.81 -3.72 0.00 0.00 177.10 173.97 3it7 n PRO 178 N 4.94 1.50 0.00 0.43 -0.04 -1.26 -0.12 135.00 140.46 3it7 n PRO 178 Ca -0.10 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 3it7 n PRO 178 Cb 0.42 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3it7 n PRO 178 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3it7 n GLY 179 N 1.01 -0.72 3.80 0.55 0.00 -1.26 -4.90 105.19 103.67 3it7 n GLY 179 Ca 0.15 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 3it7 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3it7 s LEU 180 N 0.00 3.74 0.17 0.99 1.43 -1.26 -3.93 118.68 119.82 3it7 s LEU 180 Ca 0.00 1.86 -0.10 0.00 -1.03 0.00 0.00 54.13 54.86 3it7 s LEU 180 Cb 0.00 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.61 3it7 s LEU 180 CO 0.00 -0.85 0.50 0.00 0.23 0.00 0.00 176.35 176.23 3it7 s ALA 181 N -2.16 3.63 -2.00 4.21 0.00 -1.26 -4.93 121.76 119.25 3it7 s ALA 181 Ca 0.65 -0.29 0.24 0.00 0.00 0.00 0.00 51.96 52.56 3it7 s ALA 181 Cb -0.15 -2.39 1.42 0.00 0.00 0.00 0.00 23.12 22.00 3it7 s ALA 181 CO 0.25 0.53 1.79 1.28 0.00 0.00 0.00 175.76 179.60