#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it5 s PRO 2 N 0.00 2.96 0.24 0.00 0.02 -1.26 -4.89 135.00 132.07 3it5 s PRO 2 Ca 0.00 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 3it5 s PRO 2 Cb 0.00 -2.14 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 3it5 s PRO 2 CO 0.00 -1.32 1.43 -2.30 -0.33 0.00 0.00 177.00 174.48 3it5 n PRO 3 N -1.29 2.07 0.05 5.54 -0.02 -1.26 -4.65 135.00 135.45 3it5 n PRO 3 Ca 0.12 0.74 0.05 0.00 -2.02 0.00 0.00 63.50 62.39 3it5 n PRO 3 Cb 0.46 -2.41 0.25 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.25 0.20 -0.71 2.55 3.41 -1.26 -1.58 113.62 118.47 3it5 n SER 4 Ca 0.12 0.58 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 3it5 n SER 4 Cb 0.31 -0.61 0.17 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.75 3.07 0.02 4.04 6.94 -1.26 -4.48 115.26 121.84 3it5 n ASN 5 Ca 0.01 -2.07 -0.14 0.00 -0.02 0.00 0.00 54.58 52.36 3it5 n ASN 5 Cb 0.07 -0.27 -0.14 0.00 -2.36 0.00 0.00 39.78 37.08 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 2.17 0.22 -8.36 -4.53 5.85 -1.59 -3.42 115.31 105.66 3it5 h LEU 6 Ca 0.00 -0.39 -0.52 0.00 0.84 0.00 0.00 57.88 57.81 3it5 h LEU 6 Cb 0.80 -0.07 -0.27 0.00 0.37 0.00 0.00 40.66 41.49 3it5 h LEU 6 CO 0.02 1.34 -0.82 -0.04 -0.34 0.00 0.00 178.44 178.60 3it5 s MET 7 N -2.60 1.23 0.49 1.25 -1.94 -1.26 -4.53 119.30 111.93 3it5 s MET 7 Ca -0.09 -0.71 0.06 0.00 -1.71 0.00 0.00 55.69 53.23 3it5 s MET 7 Cb 0.07 -1.24 0.00 0.00 2.01 0.00 0.00 34.83 35.68 3it5 s MET 7 CO 0.82 0.33 0.30 1.14 -0.01 0.00 0.00 175.02 177.60 3it5 s GLN 8 N -0.78 2.28 0.46 2.03 -2.07 -0.05 -0.07 119.66 121.46 3it5 s GLN 8 Ca 0.05 -1.95 -0.23 0.00 -1.82 0.00 0.00 55.36 51.41 3it5 s GLN 8 Cb -0.07 -2.05 -0.08 0.00 -1.09 0.00 0.00 33.01 29.72 3it5 s GLN 8 CO 0.00 -0.41 1.15 -0.51 -1.32 0.00 0.00 175.29 174.20 3it5 s LEU 9 N -4.13 4.01 0.00 2.60 1.43 -1.26 -4.58 118.68 116.75 3it5 s LEU 9 Ca 0.35 2.26 -0.00 0.00 -1.03 0.00 0.00 54.13 55.70 3it5 s LEU 9 Cb -0.00 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 3it5 s LEU 9 CO 0.20 -0.87 1.97 -0.81 0.23 0.00 0.00 176.35 177.07 3it5 n PRO 10 N -0.48 1.00 -4.21 1.29 -0.04 -1.26 -4.74 135.00 126.56 3it5 n PRO 10 Ca 0.07 -0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 3it5 n PRO 10 Cb 0.48 -1.11 -0.10 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.23 1.14 0.25 0.54 -2.14 -1.26 -2.52 118.94 115.19 3it5 s TRP 11 Ca 0.05 -1.30 -0.30 0.00 2.66 0.00 0.00 56.10 57.21 3it5 s TRP 11 Cb 0.02 -0.59 -0.14 0.00 -3.10 0.00 0.00 33.47 29.66 3it5 s TRP 11 CO 0.00 -0.55 1.27 0.54 -2.66 0.00 0.00 176.95 175.56 3it5 n ARG 12 N -0.25 1.77 -1.74 3.25 1.74 -1.26 -4.75 116.66 115.42 3it5 n ARG 12 Ca -0.01 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.28 3it5 n ARG 12 Cb 0.65 -2.19 -0.01 0.00 -1.02 0.00 0.00 32.46 29.90 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 1.49 2.50 -0.27 5.56 7.27 -1.26 -2.56 117.38 130.10 3it5 n GLN 13 Ca 0.11 0.88 0.00 0.00 0.07 0.00 0.00 57.00 58.06 3it5 n GLN 13 Cb 0.31 -2.58 0.00 0.00 2.41 0.00 0.00 30.24 30.38 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 1.05 0.89 3.53 1.69 0.00 0.17 -5.03 105.19 107.48 3it5 n GLY 14 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.69 2.36 -0.07 1.61 2.02 -1.06 -4.89 117.35 114.63 3it5 s TYR 15 Ca 0.00 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 3it5 s TYR 15 Cb 0.00 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.23 3it5 s TYR 15 CO 0.00 0.56 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.36 3it5 s SER 16 N -3.59 1.56 0.34 2.29 0.01 -1.26 -1.92 113.70 111.13 3it5 s SER 16 Ca 0.32 -0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.47 3it5 s SER 16 Cb 0.03 -0.63 -0.06 0.00 0.21 0.00 0.00 66.02 65.57 3it5 s SER 16 CO 0.16 -0.08 -0.02 0.26 0.41 0.00 0.00 173.24 173.97 3it5 s TRP 17 N 1.26 2.50 -0.34 2.43 0.52 -1.21 -4.71 118.94 119.39 3it5 s TRP 17 Ca -0.05 -0.45 -0.14 0.00 0.02 0.00 0.00 56.10 55.49 3it5 s TRP 17 Cb -0.14 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.72 3it5 s TRP 17 CO -0.02 0.51 0.28 -0.65 0.02 0.00 0.00 176.95 177.09 3it5 s GLN 18 N -3.68 3.50 0.46 4.98 -0.21 0.08 -0.72 119.66 124.07 3it5 s GLN 18 Ca 0.34 -0.59 -0.07 0.00 0.02 0.00 0.00 55.36 55.07 3it5 s GLN 18 Cb 0.00 -3.81 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 3it5 s GLN 18 CO 0.18 -0.47 0.79 -1.25 -2.12 0.00 0.00 175.29 172.42 3it5 s PRO 19 N 1.81 3.60 0.44 2.91 0.04 -1.26 -1.70 135.00 140.84 3it5 s PRO 19 Ca 0.08 0.28 0.03 0.00 0.04 0.00 0.00 61.00 61.43 3it5 s PRO 19 Cb -0.17 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.03 3it5 s PRO 19 CO 0.11 -0.17 0.28 0.27 0.04 0.00 0.00 177.00 177.53 3it5 n ASN 20 N -2.01 2.55 -4.75 6.66 6.94 0.24 -0.98 115.26 123.90 3it5 n ASN 20 Ca 0.01 -2.58 -0.36 0.00 -0.02 0.00 0.00 54.58 51.63 3it5 n ASN 20 Cb 0.55 0.02 0.03 0.00 -2.36 0.00 0.00 39.78 38.02 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 -3.65 2.74 0.48 4.83 0.00 -1.26 -4.34 107.32 106.13 3it5 s GLY 21 Ca 0.21 1.01 -0.24 0.00 0.00 0.00 0.00 44.72 45.70 3it5 s GLY 21 CO 0.13 1.40 1.34 0.00 0.00 0.00 0.00 173.10 175.98 3it5 s ALA 22 N -1.59 3.04 0.25 3.20 0.00 -1.26 -4.29 121.76 121.10 3it5 s ALA 22 Ca 0.77 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.86 3it5 s ALA 22 Cb -0.30 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.30 3it5 s ALA 22 CO 0.33 -1.13 0.58 -3.38 0.00 0.00 0.00 175.76 172.16 3it5 s HIS 23 N -1.30 0.04 0.71 0.00 -3.43 0.52 -0.67 115.29 111.17 3it5 s HIS 23 Ca 0.65 -0.43 -0.11 0.00 -0.80 0.00 0.00 55.06 54.37 3it5 s HIS 23 Cb -0.39 0.43 0.02 0.00 -1.43 0.00 0.00 32.58 31.21 3it5 s HIS 23 CO 0.49 -1.07 1.07 -1.54 -2.00 0.00 0.00 174.74 171.68 3it5 s SER 24 N -2.95 5.24 0.38 7.38 1.04 -1.25 -0.18 113.70 123.37 3it5 s SER 24 Ca 0.15 1.55 0.17 0.00 0.48 0.00 0.00 55.95 58.29 3it5 s SER 24 Cb -0.03 -2.40 1.06 0.00 0.10 0.00 0.00 66.02 64.75 3it5 s SER 24 CO 0.05 -1.52 1.77 -1.13 0.98 0.00 0.00 173.24 173.39 3it5 h ASN 25 N -0.77 0.49 0.66 7.02 -1.24 -1.93 0.25 115.58 120.05 3it5 h ASN 25 Ca -0.44 0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.65 3it5 h ASN 25 Cb 1.22 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.28 3it5 h ASN 25 CO 0.57 0.10 -0.44 0.35 -1.29 0.00 0.00 177.43 176.72 3it5 n THR 26 N -4.66 0.07 -0.91 -3.57 -2.24 -1.26 -4.94 114.28 96.77 3it5 n THR 26 Ca 0.25 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3it5 n THR 26 Cb 0.84 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3it5 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3it5 n GLY 27 N 1.47 0.89 0.81 3.38 0.00 0.89 -4.89 105.19 107.74 3it5 n GLY 27 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3it5 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3it5 n SER 28 N 0.00 0.91 -1.89 1.61 3.41 -1.26 -4.70 113.62 111.69 3it5 n SER 28 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3it5 n SER 28 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 2.81 1.13 3.11 5.00 0.00 -1.26 -4.83 105.19 111.16 3it5 n GLY 29 Ca -0.08 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 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 1.06 1.50 0.55 1.61 5.04 -1.26 -4.36 117.35 121.49 3it5 s TYR 30 Ca 0.00 -0.37 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 3it5 s TYR 30 Cb 0.00 -1.00 0.04 0.00 0.35 0.00 0.00 41.96 41.35 3it5 s TYR 30 CO 0.00 -0.11 0.77 -1.25 -1.34 0.00 0.00 175.55 173.62 3it5 s PRO 31 N -0.07 2.47 -1.26 4.97 0.04 -1.26 -5.09 135.00 134.79 3it5 s PRO 31 Ca -0.00 -0.93 -0.15 0.00 0.04 0.00 0.00 61.00 59.95 3it5 s PRO 31 Cb -0.09 -2.52 0.12 0.00 0.04 0.00 0.00 34.50 32.05 3it5 s PRO 31 CO 0.01 -0.75 1.63 0.66 0.04 0.00 0.00 177.00 178.59 3it5 n TYR 32 N -2.33 4.67 0.52 0.56 4.02 -1.26 -3.85 117.16 119.49 3it5 n TYR 32 Ca 0.09 -3.09 0.12 0.00 -0.01 0.00 0.00 57.90 55.01 3it5 n TYR 32 Cb 0.60 -2.39 0.19 0.00 -0.02 0.00 0.00 39.34 37.72 3it5 n TYR 32 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3it5 h SER 33 N 7.19 0.00 -4.04 7.72 4.64 -1.49 -2.11 113.55 125.45 3it5 h SER 33 Ca 0.39 -0.15 -0.44 0.00 -0.47 0.00 0.00 61.79 61.12 3it5 h SER 33 Cb 0.85 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.75 3it5 h SER 33 CO 1.39 0.08 -0.77 -0.44 -0.87 0.00 0.00 176.83 176.22 3it5 s SER 34 N -4.46 2.09 0.01 4.97 0.01 0.74 -1.16 113.70 115.91 3it5 s SER 34 Ca 0.06 -0.79 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 3it5 s SER 34 Cb 0.12 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 3it5 s SER 34 CO 0.71 -0.11 0.04 0.72 0.41 0.00 0.00 173.24 175.01 3it5 s PHE 35 N -1.96 0.18 0.23 2.43 -0.12 -0.73 -0.35 117.98 117.65 3it5 s PHE 35 Ca 0.08 -0.38 0.01 0.00 -0.05 0.00 0.00 56.93 56.60 3it5 s PHE 35 Cb -0.06 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 3it5 s PHE 35 CO 0.03 -0.23 0.40 -0.51 -0.05 0.00 0.00 175.22 174.86 3it5 s ASP 36 N -1.45 6.35 -0.17 1.98 1.01 -1.26 -2.14 116.67 120.99 3it5 s ASP 36 Ca -0.15 0.30 -0.15 0.00 0.71 0.00 0.00 52.55 53.25 3it5 s ASP 36 Cb -0.09 -1.96 0.05 0.00 1.01 0.00 0.00 42.92 41.92 3it5 s ASP 36 CO -0.00 -0.08 0.46 0.00 0.21 0.00 0.00 175.17 175.75 3it5 s ALA 37 N -1.96 -1.13 -0.10 5.23 0.00 -0.65 -0.59 121.76 122.56 3it5 s ALA 37 Ca 0.37 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.52 3it5 s ALA 37 Cb -0.10 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.28 3it5 s ALA 37 CO 0.30 -0.22 0.33 0.45 0.00 0.00 0.00 175.76 176.62 3it5 s SER 38 N 0.34 -0.32 0.14 0.00 0.15 -0.69 -1.16 113.70 112.16 3it5 s SER 38 Ca -0.01 0.56 -0.24 0.00 0.70 0.00 0.00 55.95 56.96 3it5 s SER 38 Cb -0.04 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.89 3it5 s SER 38 CO -0.01 -0.18 1.63 0.22 1.20 0.00 0.00 173.24 176.10 3it5 h TYR 39 N 5.26 -0.70 0.00 3.44 3.20 -1.86 0.26 116.97 126.57 3it5 h TYR 39 Ca -0.27 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.64 3it5 h TYR 39 Cb 1.18 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.79 3it5 h TYR 39 CO 0.43 -0.34 0.00 -0.40 -1.64 0.00 0.00 178.16 176.21 3it5 n ASP 40 N -5.38 0.31 -3.60 -2.11 5.68 -1.26 -4.17 116.55 106.01 3it5 n ASP 40 Ca -0.02 -0.65 -0.28 0.00 -0.50 0.00 0.00 54.79 53.35 3it5 n ASP 40 Cb 0.30 0.34 0.04 0.00 -1.14 0.00 0.00 41.12 40.66 3it5 n ASP 40 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3it5 n TRP 41 N -0.34 -2.04 -2.52 2.11 7.02 -1.26 -5.00 117.44 115.41 3it5 n TRP 41 Ca 0.00 0.55 -0.01 0.00 -1.02 0.00 0.00 57.50 57.02 3it5 n TRP 41 Cb 0.04 -3.52 0.00 0.00 -2.42 0.00 0.00 31.31 25.42 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 -3.88 0.73 -1.80 -0.99 -0.04 -1.26 -4.99 135.00 122.77 3it5 n PRO 42 Ca -0.09 -0.10 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 3it5 n PRO 42 Cb 0.59 -0.02 0.04 0.00 -0.04 0.00 0.00 33.50 34.08 3it5 n PRO 42 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3it5 s ARG 43 N -2.34 2.94 0.80 0.54 3.52 -1.26 -4.06 118.95 119.08 3it5 s ARG 43 Ca 0.02 0.60 -0.14 0.00 -0.13 0.00 0.00 55.73 56.09 3it5 s ARG 43 Cb -0.00 -2.02 0.07 0.00 -1.56 0.00 0.00 34.95 31.44 3it5 s ARG 43 CO 0.01 -1.01 1.15 0.91 -0.81 0.00 0.00 175.30 175.55 3it5 n TRP 44 N -3.02 1.13 -0.98 5.12 7.02 -1.26 -2.88 117.44 122.58 3it5 n TRP 44 Ca 0.07 0.40 0.00 0.00 -1.02 0.00 0.00 57.50 56.95 3it5 n TRP 44 Cb 0.56 -2.10 0.00 0.00 -2.42 0.00 0.00 31.31 27.35 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 0.67 0.71 3.93 6.99 0.00 0.44 -5.03 105.19 112.89 3it5 n GLY 45 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.50 5.24 0.33 1.61 0.01 -1.14 -5.06 113.70 112.20 3it5 s SER 46 Ca 0.00 0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.46 3it5 s SER 46 Cb 0.00 -1.34 -0.10 0.00 0.21 0.00 0.00 66.02 64.79 3it5 s SER 46 CO 0.00 -1.28 1.35 0.00 0.41 0.00 0.00 173.24 173.72 3it5 s ALA 47 N -3.04 3.52 0.30 1.44 0.00 -1.26 -4.74 121.76 117.98 3it5 s ALA 47 Ca 0.57 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.92 3it5 s ALA 47 Cb -0.11 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 3it5 s ALA 47 CO 0.44 -0.71 -0.08 0.95 0.00 0.00 0.00 175.76 176.35 3it5 s THR 48 N -1.01 1.91 0.38 0.00 -4.23 -1.26 -5.01 115.64 106.43 3it5 s THR 48 Ca 0.51 -2.17 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 3it5 s THR 48 Cb -0.41 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 3it5 s THR 48 CO 0.53 -0.28 0.07 -0.31 -0.54 0.00 0.00 174.62 174.09 3it5 s TYR 49 N -2.83 1.95 -0.08 3.99 2.02 -1.26 -4.94 117.35 116.20 3it5 s TYR 49 Ca 0.30 -1.03 -0.30 0.00 -0.37 0.00 0.00 57.07 55.67 3it5 s TYR 49 Cb 0.03 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 3it5 s TYR 49 CO 0.14 -0.01 1.04 -1.12 -1.57 0.00 0.00 175.55 174.02 3it5 s SER 50 N -3.60 7.23 -0.16 2.29 0.01 -1.26 -2.65 113.70 115.56 3it5 s SER 50 Ca 0.28 1.60 -0.16 0.00 1.31 0.00 0.00 55.95 58.99 3it5 s SER 50 Cb 0.06 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 3it5 s SER 50 CO 0.14 -0.44 0.37 -0.69 0.41 0.00 0.00 173.24 173.03 3it5 s VAL 51 N 1.87 5.25 0.25 3.43 1.01 -1.01 -4.10 120.40 127.11 3it5 s VAL 51 Ca 0.50 0.71 0.11 0.00 0.00 0.00 0.00 61.98 63.30 3it5 s VAL 51 Cb -0.20 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3it5 s VAL 51 CO 0.20 0.34 -0.18 0.68 0.00 0.00 0.00 175.10 176.14 3it5 s VAL 52 N 0.68 2.60 0.21 2.92 -7.23 -1.05 -0.39 120.40 118.14 3it5 s VAL 52 Ca 0.20 -2.21 -0.32 0.00 -1.81 0.00 0.00 61.98 57.83 3it5 s VAL 52 Cb -0.14 -2.33 -0.12 0.00 0.56 0.00 0.00 36.38 34.34 3it5 s VAL 52 CO 0.07 -0.31 1.68 0.00 -0.31 0.00 0.00 175.10 176.23 3it5 n ALA 53 N -0.39 2.50 0.41 1.32 0.00 -0.48 -4.34 120.51 119.53 3it5 n ALA 53 Ca -0.07 0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.91 3it5 n ALA 53 Cb 0.59 -2.48 0.44 0.00 0.00 0.00 0.00 19.45 17.99 3it5 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3it5 h ALA 54 N 6.42 1.00 -2.98 0.00 0.00 -1.85 0.59 119.26 122.45 3it5 h ALA 54 Ca -0.44 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.55 3it5 h ALA 54 Cb 1.21 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3it5 h ALA 54 CO 0.93 0.00 0.24 -3.38 0.00 0.00 0.00 179.25 177.04 3it5 s HIS 55 N -3.30 -0.19 0.44 0.00 -3.43 -1.26 -0.87 115.29 106.68 3it5 s HIS 55 Ca 0.06 -0.26 -0.24 0.00 -0.80 0.00 0.00 55.06 53.82 3it5 s HIS 55 Cb 0.09 0.71 -0.08 0.00 -1.43 0.00 0.00 32.58 31.87 3it5 s HIS 55 CO 0.54 -1.22 1.23 0.00 -2.00 0.00 0.00 174.74 173.29 3it5 s ALA 56 N -3.90 3.08 0.00 -1.38 0.00 -1.26 -3.47 121.76 114.84 3it5 s ALA 56 Ca 0.11 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3it5 s ALA 56 Cb -0.06 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3it5 s ALA 56 CO 0.07 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3it5 n GLY 57 N 0.59 -0.55 3.65 0.00 0.00 -0.54 -4.18 105.19 104.16 3it5 n GLY 57 Ca 0.06 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.96 4.46 0.10 2.61 2.01 0.12 -1.05 115.64 120.94 3it5 s THR 58 Ca 0.00 -0.17 -0.25 0.00 0.31 0.00 0.00 61.69 61.58 3it5 s THR 58 Cb 0.00 -2.94 -0.07 0.00 0.01 0.00 0.00 72.50 69.51 3it5 s THR 58 CO 0.00 0.54 0.78 -0.69 -0.69 0.00 0.00 174.62 174.56 3it5 s VAL 59 N -0.27 4.57 -0.18 3.82 1.01 -0.38 -0.46 120.40 128.51 3it5 s VAL 59 Ca 0.07 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.74 3it5 s VAL 59 Cb -0.12 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.15 3it5 s VAL 59 CO 0.02 0.43 -0.17 -0.60 0.00 0.00 0.00 175.10 174.77 3it5 s ARG 60 N -0.51 2.71 -0.69 2.72 6.06 -0.30 -1.68 118.95 127.25 3it5 s ARG 60 Ca 0.38 -0.78 -0.21 0.00 -2.50 0.00 0.00 55.73 52.62 3it5 s ARG 60 Cb -0.22 -2.44 0.09 0.00 0.06 0.00 0.00 34.95 32.43 3it5 s ARG 60 CO 0.25 -0.24 0.95 0.08 -2.50 0.00 0.00 175.30 173.83 3it5 s VAL 61 N 1.34 4.46 0.25 7.11 1.01 -1.26 -1.79 120.40 131.52 3it5 s VAL 61 Ca 0.04 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.47 3it5 s VAL 61 Cb -0.13 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 3it5 s VAL 61 CO -0.12 -1.42 1.57 -0.07 0.00 0.00 0.00 175.10 175.07 3it5 h LEU 62 N 11.00 0.00 -7.77 3.92 3.38 -1.79 -3.48 115.31 120.58 3it5 h LEU 62 Ca -0.22 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.97 3it5 h LEU 62 Cb 1.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 3it5 h LEU 62 CO 1.16 0.66 0.65 -0.94 0.09 0.00 0.00 178.44 180.06 3it5 s SER 63 N -6.82 -0.05 0.42 -0.43 1.04 -1.15 -4.96 113.70 101.76 3it5 s SER 63 Ca -0.01 -0.46 0.25 0.00 0.48 0.00 0.00 55.95 56.21 3it5 s SER 63 Cb 0.12 0.39 1.36 0.00 0.10 0.00 0.00 66.02 68.00 3it5 s SER 63 CO 0.77 -0.76 1.75 0.08 0.98 0.00 0.00 173.24 176.05 3it5 h ARG 64 N 2.00 0.00 0.00 4.02 0.11 -1.95 -2.79 114.38 115.77 3it5 h ARG 64 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 3it5 h ARG 64 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3it5 h ARG 64 CO 0.32 0.00 -0.03 0.00 0.10 0.00 0.00 179.97 180.35 3it5 s GLN 66 N -0.91 0.29 0.01 0.00 0.74 -1.05 -1.12 119.66 117.61 3it5 s GLN 66 Ca 0.04 0.42 -0.00 0.00 0.05 0.00 0.00 55.36 55.87 3it5 s GLN 66 Cb 0.04 0.08 -0.01 0.00 1.10 0.00 0.00 33.01 34.22 3it5 s GLN 66 CO 0.00 -0.07 -0.01 0.08 -0.55 0.00 0.00 175.29 174.75 3it5 s VAL 67 N 0.44 0.04 -0.03 1.34 1.01 -0.50 -2.02 120.40 120.68 3it5 s VAL 67 Ca -0.02 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3it5 s VAL 67 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 3it5 s VAL 67 CO -0.02 -0.18 -0.18 -0.60 0.00 0.00 0.00 175.10 174.12 3it5 s ARG 68 N -0.52 1.65 -0.20 2.72 6.06 -0.74 -0.44 118.95 127.48 3it5 s ARG 68 Ca -0.06 -0.65 -0.02 0.00 -2.50 0.00 0.00 55.73 52.50 3it5 s ARG 68 Cb -0.04 -1.51 0.00 0.00 0.06 0.00 0.00 34.95 33.46 3it5 s ARG 68 CO -0.00 0.33 -0.09 0.08 -2.50 0.00 0.00 175.30 173.11 3it5 s VAL 69 N -0.23 2.96 -0.21 7.11 1.01 -0.30 -1.15 120.40 129.59 3it5 s VAL 69 Ca 0.02 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3it5 s VAL 69 Cb -0.09 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.99 3it5 s VAL 69 CO 0.01 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.55 3it5 s THR 70 N 1.37 2.50 0.46 3.92 2.01 0.39 -1.20 115.64 125.10 3it5 s THR 70 Ca 0.05 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 3it5 s THR 70 Cb -0.14 -2.15 -0.08 0.00 0.01 0.00 0.00 72.50 70.14 3it5 s THR 70 CO -0.06 0.41 0.91 -2.28 -0.69 0.00 0.00 174.62 172.92 3it5 s HIS 71 N 1.32 3.42 0.66 4.92 2.46 -0.40 0.16 115.29 127.84 3it5 s HIS 71 Ca 0.03 1.39 0.40 0.00 0.47 0.00 0.00 55.06 57.36 3it5 s HIS 71 Cb -0.14 -2.71 2.23 0.00 -0.13 0.00 0.00 32.58 31.82 3it5 s HIS 71 CO -0.09 -0.22 2.28 -1.35 -2.47 0.00 0.00 174.74 172.89 3it5 h PRO 72 N 1.31 0.00 0.00 2.88 0.11 -1.86 -1.64 132.00 132.80 3it5 h PRO 72 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3it5 h PRO 72 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3it5 h PRO 72 CO 0.62 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.18 3it5 h SER 73 N 0.00 0.00 0.00 -2.05 0.02 -1.97 -3.46 113.55 106.09 3it5 h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3it5 h SER 73 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3it5 h SER 73 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3it5 n GLY 74 N -0.49 2.93 3.61 -3.77 0.00 -0.61 -4.87 105.19 101.98 3it5 n GLY 74 Ca -0.01 -0.65 -0.50 0.00 0.00 0.00 0.00 46.02 44.86 3it5 n GLY 74 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3it5 n TRP 75 N 0.00 1.71 -3.96 1.61 7.02 -1.26 -1.88 117.44 120.67 3it5 n TRP 75 Ca 0.00 0.54 -0.08 0.00 -1.02 0.00 0.00 57.50 56.94 3it5 n TRP 75 Cb 0.00 -2.38 -0.09 0.00 -2.42 0.00 0.00 31.31 26.42 3it5 n TRP 75 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3it5 s ALA 76 N 0.55 0.08 -0.01 6.99 0.00 -0.30 -1.27 121.76 127.80 3it5 s ALA 76 Ca 0.82 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.05 3it5 s ALA 76 Cb -0.88 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3it5 s ALA 76 CO 0.45 -0.39 -0.18 0.95 0.00 0.00 0.00 175.76 176.59 3it5 s THR 77 N -3.38 1.45 0.03 0.00 -4.23 -0.34 0.26 115.64 109.43 3it5 s THR 77 Ca 0.02 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 3it5 s THR 77 Cb 0.03 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 3it5 s THR 77 CO -0.08 0.41 -0.00 0.21 -0.54 0.00 0.00 174.62 174.62 3it5 s ASN 78 N -0.42 5.07 -0.19 3.99 2.47 0.98 -1.15 114.94 125.69 3it5 s ASN 78 Ca 0.07 -0.08 -0.03 0.00 0.42 0.00 0.00 52.86 53.24 3it5 s ASN 78 Cb -0.07 -1.28 0.06 0.00 -1.45 0.00 0.00 41.25 38.51 3it5 s ASN 78 CO -0.01 0.24 0.03 -0.31 -3.72 0.00 0.00 177.10 173.34 3it5 s TYR 79 N -1.17 0.98 0.37 0.43 1.51 0.42 -1.05 117.35 118.84 3it5 s TYR 79 Ca 0.22 -0.80 0.09 0.00 -1.01 0.00 0.00 57.07 55.56 3it5 s TYR 79 Cb -0.12 -1.01 -0.07 0.00 -0.11 0.00 0.00 41.96 40.66 3it5 s TYR 79 CO 0.13 -0.59 -0.02 -0.47 -1.11 0.00 0.00 175.55 173.49 3it5 s TYR 80 N 1.87 2.48 -1.18 2.71 5.04 -0.02 -1.41 117.35 126.84 3it5 s TYR 80 Ca -0.01 -0.54 -0.06 0.00 -2.44 0.00 0.00 57.07 54.02 3it5 s TYR 80 Cb -0.17 -1.56 0.01 0.00 0.35 0.00 0.00 41.96 40.59 3it5 s TYR 80 CO -0.08 0.50 1.03 0.72 -1.34 0.00 0.00 175.55 176.37 3it5 n HIS 81 N -0.91 -2.46 -3.04 4.97 8.25 -1.06 -2.61 115.22 118.36 3it5 n HIS 81 Ca -0.05 0.89 -0.23 0.00 -0.26 0.00 0.00 57.72 58.08 3it5 n HIS 81 Cb 0.64 -4.63 0.01 0.00 1.12 0.00 0.00 29.99 27.13 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 -5.99 3.14 0.13 -0.41 -1.94 -0.28 -1.46 119.30 112.50 3it5 s MET 82 Ca 0.42 -0.45 -0.16 0.00 -1.71 0.00 0.00 55.69 53.79 3it5 s MET 82 Cb -0.19 -2.57 0.03 0.00 2.01 0.00 0.00 34.83 34.11 3it5 s MET 82 CO 0.65 -0.20 0.40 0.34 -0.01 0.00 0.00 175.02 176.20 3it5 s ASP 83 N -4.19 -0.21 -1.38 3.03 2.15 0.63 -4.15 116.67 112.55 3it5 s ASP 83 Ca 0.47 -0.36 -0.03 0.00 0.43 0.00 0.00 52.55 53.05 3it5 s ASP 83 Cb -0.10 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.02 3it5 s ASP 83 CO 0.38 -0.87 0.70 0.00 -0.17 0.00 0.00 175.17 175.21 3it5 n GLN 84 N -0.23 -4.67 -1.77 4.34 6.02 -1.26 -1.63 117.38 118.17 3it5 n GLN 84 Ca -0.15 0.57 -0.42 0.00 -0.01 0.00 0.00 57.00 56.98 3it5 n GLN 84 Cb 0.64 -5.11 -0.03 0.00 1.02 0.00 0.00 30.24 26.75 3it5 n GLN 84 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3it5 s ILE 85 N -3.64 2.80 -0.17 5.09 1.01 -1.26 -4.33 121.20 120.70 3it5 s ILE 85 Ca 0.16 0.19 0.16 0.00 0.00 0.00 0.00 60.65 61.16 3it5 s ILE 85 Cb -0.08 -3.12 0.42 0.00 0.01 0.00 0.00 42.46 39.69 3it5 s ILE 85 CO 0.83 -0.00 1.30 0.00 0.00 0.00 0.00 174.94 177.07 3it5 n GLN 86 N 6.09 2.00 -4.43 2.79 10.64 -0.59 -4.98 117.38 128.89 3it5 n GLN 86 Ca 0.18 -2.80 -0.21 0.00 -1.83 0.00 0.00 57.00 52.33 3it5 n GLN 86 Cb 0.40 -1.68 -0.10 0.00 -0.86 0.00 0.00 30.24 27.99 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 -2.93 1.71 0.32 -0.39 -7.23 -1.26 -4.98 120.40 105.64 3it5 s VAL 87 Ca 0.38 -2.14 0.09 0.00 -1.81 0.00 0.00 61.98 58.49 3it5 s VAL 87 Cb 0.32 -2.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.77 3it5 s VAL 87 CO 0.04 -0.31 -0.09 -0.44 -0.31 0.00 0.00 175.10 173.99 3it5 s SER 88 N -3.45 3.39 0.15 4.85 0.01 -1.26 -4.90 113.70 112.49 3it5 s SER 88 Ca 0.29 -1.18 -0.32 0.00 1.31 0.00 0.00 55.95 56.05 3it5 s SER 88 Cb 0.03 -0.28 -0.12 0.00 0.21 0.00 0.00 66.02 65.86 3it5 s SER 88 CO 0.12 -0.24 1.76 0.59 0.41 0.00 0.00 173.24 175.89 3it5 n ASN 89 N -0.71 3.85 0.00 2.44 3.02 -1.26 -2.06 115.26 120.54 3it5 n ASN 89 Ca -0.05 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 3it5 n ASN 89 Cb 0.63 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 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 4.03 1.33 3.66 7.41 0.00 -0.68 -5.01 105.19 115.93 3it5 n GLY 90 Ca 0.17 0.00 -0.43 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 -0.35 4.17 0.20 1.61 0.74 -0.87 -4.75 119.66 120.40 3it5 s GLN 91 Ca 0.00 1.89 -0.30 0.00 0.05 0.00 0.00 55.36 57.00 3it5 s GLN 91 Cb 0.00 -3.89 -0.08 0.00 1.10 0.00 0.00 33.01 30.14 3it5 s GLN 91 CO 0.00 -0.83 0.95 -0.65 -0.55 0.00 0.00 175.29 174.21 3it5 s GLN 92 N 3.86 4.81 0.12 1.67 -1.52 -1.26 -1.25 119.66 126.08 3it5 s GLN 92 Ca 0.65 1.49 -0.00 0.00 -1.95 0.00 0.00 55.36 55.54 3it5 s GLN 92 Cb -0.27 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.17 3it5 s GLN 92 CO 0.23 0.42 0.02 0.14 -0.25 0.00 0.00 175.29 175.85 3it5 s VAL 93 N -0.85 0.25 0.35 1.09 -7.23 -0.21 -4.98 120.40 108.82 3it5 s VAL 93 Ca 0.43 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 3it5 s VAL 93 Cb -0.25 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 3it5 s VAL 93 CO 0.32 -0.61 0.11 -0.44 -0.31 0.00 0.00 175.10 174.17 3it5 s SER 94 N -3.04 4.49 0.21 4.85 0.01 -1.26 -1.47 113.70 117.49 3it5 s SER 94 Ca 0.20 -0.89 -0.31 0.00 1.31 0.00 0.00 55.95 56.25 3it5 s SER 94 Cb 0.07 -0.63 -0.15 0.00 0.21 0.00 0.00 66.02 65.53 3it5 s SER 94 CO -0.01 -0.32 1.18 0.00 0.41 0.00 0.00 173.24 174.50 3it5 n ALA 95 N -1.10 -0.26 -0.78 1.44 0.00 -1.23 -2.04 120.51 116.54 3it5 n ALA 95 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3it5 n ALA 95 Cb 0.62 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.87 -2.35 -4.64 0.00 2.03 0.20 -4.94 116.55 108.71 3it5 n ASP 96 Ca 0.13 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 3it5 n ASP 96 Cb 0.28 -0.39 -0.04 0.00 -0.72 0.00 0.00 41.12 40.25 3it5 n ASP 96 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3it5 s THR 97 N -2.00 4.78 0.02 5.18 2.01 -0.87 -4.81 115.64 119.96 3it5 s THR 97 Ca 0.00 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 3it5 s THR 97 Cb 0.00 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.26 3it5 s THR 97 CO 0.00 -0.14 1.86 -0.75 -0.69 0.00 0.00 174.62 174.90 3it5 s LYS 98 N 2.97 4.15 0.09 4.92 2.20 -1.26 -1.38 119.74 131.43 3it5 s LYS 98 Ca 0.37 2.48 0.19 0.00 -0.36 0.00 0.00 55.97 58.65 3it5 s LYS 98 Cb -0.15 -4.05 -0.11 0.00 -1.51 0.00 0.00 37.83 32.00 3it5 s LYS 98 CO 0.08 -0.91 0.83 1.28 -0.36 0.00 0.00 175.35 176.28 3it5 n LEU 99 N 7.22 0.76 0.00 5.43 4.77 0.48 -4.72 117.00 130.94 3it5 n LEU 99 Ca 0.19 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3it5 n LEU 99 Cb 0.41 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3it5 n LEU 99 CO 0.66 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3it5 n GLY 100 N 1.33 -0.32 3.18 -0.72 0.00 -1.18 -1.54 105.19 105.94 3it5 n GLY 100 Ca -0.07 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.35 0.62 0.46 1.61 -7.23 -0.65 -2.40 120.40 110.46 3it5 s VAL 101 Ca 0.00 -1.94 -0.20 0.00 -1.81 0.00 0.00 61.98 58.03 3it5 s VAL 101 Cb 0.00 -1.83 -0.10 0.00 0.56 0.00 0.00 36.38 35.01 3it5 s VAL 101 CO 0.00 -0.73 0.96 -0.72 -0.31 0.00 0.00 175.10 174.30 3it5 s TYR 102 N -3.68 3.35 0.23 2.82 -0.85 -1.09 -0.27 117.35 117.87 3it5 s TYR 102 Ca 0.16 1.57 -0.30 0.00 -0.52 0.00 0.00 57.07 57.98 3it5 s TYR 102 Cb 0.06 -2.83 -0.09 0.00 0.38 0.00 0.00 41.96 39.48 3it5 s TYR 102 CO -0.02 -0.19 1.14 0.00 -1.52 0.00 0.00 175.55 174.95 3it5 s ALA 103 N -2.31 3.41 -2.22 9.51 0.00 -0.54 -4.58 121.76 125.02 3it5 s ALA 103 Ca 0.61 0.91 0.22 0.00 0.00 0.00 0.00 51.96 53.70 3it5 s ALA 103 Cb -0.09 -3.36 0.46 0.00 0.00 0.00 0.00 23.12 20.12 3it5 s ALA 103 CO 0.19 -0.25 1.41 0.41 0.00 0.00 0.00 175.76 177.51 3it5 n GLY 104 N 1.68 1.93 2.94 0.00 0.00 -1.26 -4.43 105.19 106.05 3it5 n GLY 104 Ca 0.01 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.32 0.83 0.57 1.61 2.20 -1.26 -0.42 114.94 117.15 3it5 s ASN 105 Ca 0.40 -0.12 0.27 0.00 -0.94 0.00 0.00 52.86 52.46 3it5 s ASN 105 Cb 0.22 -0.24 1.65 0.00 -2.00 0.00 0.00 41.25 40.89 3it5 s ASN 105 CO 0.31 0.02 2.19 -0.29 -2.94 0.00 0.00 177.10 176.38 3it5 h ILE 106 N 5.51 0.62 0.18 0.54 2.10 -1.97 -0.67 117.51 123.82 3it5 h ILE 106 Ca -0.33 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.60 3it5 h ILE 106 Cb 1.17 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 3it5 h ILE 106 CO 0.49 0.00 -0.09 0.78 -1.08 0.00 0.00 178.15 178.25 3it5 h ASN 107 N 0.00 -0.21 -0.22 2.19 4.21 -1.96 -1.62 115.58 117.97 3it5 h ASN 107 Ca 0.03 -0.18 -0.10 0.00 1.21 0.00 0.00 56.30 57.26 3it5 h ASN 107 Cb 0.16 0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.42 3it5 h ASN 107 CO -0.00 0.07 -0.26 0.74 -1.29 0.00 0.00 177.43 176.69 3it5 h THR 108 N -0.50 1.32 -1.15 2.81 2.02 -1.89 -3.19 112.91 112.34 3it5 h THR 108 Ca -0.03 -1.44 0.33 0.00 0.77 0.00 0.00 66.41 66.04 3it5 h THR 108 Cb 0.38 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 3it5 h THR 108 CO 0.04 0.45 0.82 0.00 0.37 0.00 0.00 175.52 177.20 3it5 h ALA 109 N 0.65 3.03 -1.12 6.16 0.00 -1.02 -1.57 119.26 125.39 3it5 h ALA 109 Ca 0.03 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3it5 h ALA 109 Cb 0.82 0.08 -0.42 0.00 0.00 0.00 0.00 17.79 18.28 3it5 h ALA 109 CO 0.06 -1.37 -0.84 1.28 0.00 0.00 0.00 179.25 178.38 3it5 n LEU 110 N -4.22 4.17 0.26 0.00 4.77 -0.62 -4.17 117.00 117.18 3it5 n LEU 110 Ca 0.25 -4.72 0.10 0.00 -0.03 0.00 0.00 56.01 51.60 3it5 n LEU 110 Cb 1.19 -0.25 0.67 0.00 -2.33 0.00 0.00 43.42 42.70 3it5 n LEU 110 CO 0.39 2.03 1.00 0.00 -1.33 0.00 0.00 177.39 179.48 3it5 n GLU 112 N -4.13 1.83 0.00 0.00 1.02 -1.26 -5.07 120.64 113.03 3it5 n GLU 112 Ca -0.03 -3.16 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 3it5 n GLU 112 Cb 0.17 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 -2.04 0.00 0.62 0.00 -0.98 -5.11 105.19 96.59 3it5 n GLY 113 Ca 0.28 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.05 -1.76 3.20 -0.02 0.00 -1.26 -4.65 105.19 100.64 3it5 n GLY 114 Ca 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 3it5 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3it5 s SER 115 N -4.00 0.80 -0.28 1.61 1.04 -1.26 -5.04 113.70 106.58 3it5 s SER 115 Ca 0.00 -1.19 -0.22 0.00 0.48 0.00 0.00 55.95 55.03 3it5 s SER 115 Cb 0.00 0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.41 3it5 s SER 115 CO 0.00 -0.64 0.80 -0.55 0.98 0.00 0.00 173.24 173.82 3it5 s SER 116 N -3.11 -0.72 0.29 7.02 0.15 -1.26 -5.04 113.70 111.02 3it5 s SER 116 Ca 0.24 1.30 0.15 0.00 0.70 0.00 0.00 55.95 58.33 3it5 s SER 116 Cb 0.07 1.31 0.27 0.00 -1.71 0.00 0.00 66.02 65.96 3it5 s SER 116 CO 0.03 -0.22 1.54 0.71 1.20 0.00 0.00 173.24 176.50 3it5 h THR 117 N 4.28 1.03 0.00 6.45 1.35 -2.02 -3.49 112.91 120.51 3it5 h THR 117 Ca -0.29 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 3it5 h THR 117 Cb 1.18 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 3it5 h THR 117 CO 0.10 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 3it5 n GLY 118 N 0.82 -1.94 3.68 5.82 0.00 -1.26 -4.91 105.19 107.41 3it5 n GLY 118 Ca 0.01 -1.15 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 3it5 n GLY 118 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3it5 n PRO 119 N -0.44 2.41 -3.63 1.61 -0.02 -1.26 -4.97 135.00 128.71 3it5 n PRO 119 Ca 0.00 0.87 -0.05 0.00 -2.02 0.00 0.00 63.50 62.31 3it5 n PRO 119 Cb 0.00 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 30.76 3it5 n PRO 119 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3it5 s HIS 120 N 2.03 -0.20 -0.23 6.00 -3.43 -1.26 -4.48 115.29 113.71 3it5 s HIS 120 Ca 0.82 0.01 -0.10 0.00 -0.80 0.00 0.00 55.06 54.99 3it5 s HIS 120 Cb -0.61 0.58 -0.05 0.00 -1.43 0.00 0.00 32.58 31.07 3it5 s HIS 120 CO 0.40 -0.60 0.15 -1.17 -2.00 0.00 0.00 174.74 171.51 3it5 s LEU 121 N -2.70 4.13 -0.28 5.38 2.96 -0.31 -4.59 118.68 123.27 3it5 s LEU 121 Ca 0.09 0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.98 3it5 s LEU 121 Cb -0.00 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3it5 s LEU 121 CO -0.03 0.10 0.43 -2.28 -1.32 0.00 0.00 176.35 173.25 3it5 s HIS 122 N 0.85 3.24 -0.12 5.38 5.65 -1.07 -1.63 115.29 127.58 3it5 s HIS 122 Ca 0.08 0.42 -0.00 0.00 0.25 0.00 0.00 55.06 55.81 3it5 s HIS 122 Cb -0.13 -2.67 0.02 0.00 -1.18 0.00 0.00 32.58 28.63 3it5 s HIS 122 CO 0.03 -0.30 -0.09 0.12 -0.65 0.00 0.00 174.74 173.85 3it5 s PHE 123 N 2.18 1.67 0.06 3.88 5.36 -0.91 -0.84 117.98 129.39 3it5 s PHE 123 Ca 0.17 -0.88 0.09 0.00 -0.96 0.00 0.00 56.93 55.36 3it5 s PHE 123 Cb -0.16 -1.33 -0.03 0.00 -0.34 0.00 0.00 43.02 41.16 3it5 s PHE 123 CO 0.10 -0.56 -0.25 -1.12 -1.46 0.00 0.00 175.22 171.93 3it5 s SER 124 N 1.65 3.06 -0.21 6.13 0.01 -0.22 -1.78 113.70 122.34 3it5 s SER 124 Ca 0.05 -0.62 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 3it5 s SER 124 Cb -0.13 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 3it5 s SER 124 CO -0.09 0.22 0.21 -0.22 0.41 0.00 0.00 173.24 173.77 3it5 s LEU 125 N -1.42 4.17 0.33 2.44 2.96 -0.31 -0.02 118.68 126.83 3it5 s LEU 125 Ca 0.11 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3it5 s LEU 125 Cb -0.10 -2.21 -0.07 0.00 0.50 0.00 0.00 46.19 44.32 3it5 s LEU 125 CO 0.03 0.08 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.36 3it5 s LEU 126 N 0.83 2.51 -0.23 -0.68 1.02 0.14 -0.98 118.68 121.30 3it5 s LEU 126 Ca 0.11 -1.28 -0.09 0.00 0.02 0.00 0.00 54.13 52.89 3it5 s LEU 126 Cb -0.13 -0.67 0.10 0.00 0.02 0.00 0.00 46.19 45.51 3it5 s LEU 126 CO 0.03 -0.43 0.51 -0.47 0.02 0.00 0.00 176.35 176.02 3it5 s TYR 127 N -2.98 -0.97 -1.41 0.29 5.04 -0.03 -1.15 117.35 116.15 3it5 s TYR 127 Ca 0.33 1.80 0.00 0.00 -2.44 0.00 0.00 57.07 56.76 3it5 s TYR 127 Cb 0.06 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.86 3it5 s TYR 127 CO 0.15 -0.53 0.00 0.09 -1.34 0.00 0.00 175.55 173.92 3it5 n ASN 128 N 5.22 -4.56 0.00 4.32 3.02 -0.79 -2.26 115.26 120.20 3it5 n ASN 128 Ca -0.12 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3it5 n ASN 128 Cb 0.51 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 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 -0.76 0.71 3.37 7.41 0.00 -1.26 -5.08 105.19 109.58 3it5 n GLY 129 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.36 2.30 0.35 4.61 0.00 -0.96 -5.10 121.76 120.59 3it5 s ALA 130 Ca 0.00 -1.39 -0.28 0.00 0.00 0.00 0.00 51.96 50.29 3it5 s ALA 130 Cb 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 3it5 s ALA 130 CO 0.00 0.52 1.22 -0.06 0.00 0.00 0.00 175.76 177.45 3it5 s PHE 131 N -0.99 3.14 0.20 0.00 0.40 -1.26 -0.85 117.98 118.62 3it5 s PHE 131 Ca 0.13 1.51 0.04 0.00 -0.60 0.00 0.00 56.93 58.01 3it5 s PHE 131 Cb -0.10 -3.52 -0.05 0.00 0.51 0.00 0.00 43.02 39.87 3it5 s PHE 131 CO 0.05 -1.45 -0.04 0.14 0.70 0.00 0.00 175.22 174.61 3it5 s VAL 132 N -1.23 1.10 0.24 -0.44 -7.23 -0.15 -4.87 120.40 107.82 3it5 s VAL 132 Ca 0.51 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 3it5 s VAL 132 Cb -0.35 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 3it5 s VAL 132 CO 0.46 -0.48 1.35 -0.55 -0.31 0.00 0.00 175.10 175.57 3it5 s SER 133 N -3.26 6.79 0.00 4.85 0.15 -1.26 -3.89 113.70 117.08 3it5 s SER 133 Ca 0.24 2.55 0.19 0.00 0.70 0.00 0.00 55.95 59.63 3it5 s SER 133 Cb 0.04 -2.62 0.87 0.00 -1.71 0.00 0.00 66.02 62.60 3it5 s SER 133 CO 0.06 -0.58 1.59 0.18 1.20 0.00 0.00 173.24 175.69 3it5 n LEU 134 N 2.15 0.00 -4.68 3.45 4.77 -0.79 -4.84 117.00 117.06 3it5 n LEU 134 Ca 0.05 0.40 -0.51 0.00 -0.03 0.00 0.00 56.01 55.93 3it5 n LEU 134 Cb 0.42 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3it5 n LEU 134 CO 0.59 -0.15 1.33 1.67 -1.33 0.00 0.00 177.39 179.51 3it5 n GLN 135 N -1.40 1.82 -0.55 3.23 -0.06 -1.26 -1.72 117.38 117.44 3it5 n GLN 135 Ca 0.07 0.66 0.00 0.00 -2.00 0.00 0.00 57.00 55.73 3it5 n GLN 135 Cb 0.19 -2.43 0.00 0.00 -4.06 0.00 0.00 30.24 23.93 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 3.97 1.52 3.77 1.69 0.00 -0.11 -4.98 105.19 111.04 3it5 n GLY 136 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.17 3.43 -0.13 4.61 0.00 -0.70 -4.66 121.76 121.14 3it5 s ALA 137 Ca 0.00 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 3it5 s ALA 137 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3it5 s ALA 137 CO 0.00 -0.44 0.19 -1.12 0.00 0.00 0.00 175.76 174.39 3it5 s SER 138 N -0.71 6.41 -0.29 0.00 0.01 -1.26 -1.50 113.70 116.37 3it5 s SER 138 Ca 0.48 0.48 -0.00 0.00 1.31 0.00 0.00 55.95 58.22 3it5 s SER 138 Cb -0.36 -2.11 0.09 0.00 0.21 0.00 0.00 66.02 63.85 3it5 s SER 138 CO 0.47 0.30 0.06 -0.36 0.41 0.00 0.00 173.24 174.13 3it5 s PHE 139 N -0.51 2.01 0.00 2.43 0.40 0.20 -4.47 117.98 118.04 3it5 s PHE 139 Ca 0.15 -1.81 0.00 0.00 -0.60 0.00 0.00 56.93 54.66 3it5 s PHE 139 Cb -0.13 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.62 3it5 s PHE 139 CO 0.04 -0.84 0.00 0.41 0.70 0.00 0.00 175.22 175.52 3it5 n GLY 140 N 4.76 2.57 0.18 4.36 0.00 0.90 -2.52 105.19 115.44 3it5 n GLY 140 Ca -0.03 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.71 3it5 n GLY 140 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3it5 h PRO 141 N 0.00 0.00 -6.40 1.61 0.13 -1.90 -3.40 132.00 122.05 3it5 h PRO 141 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 3it5 h PRO 141 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3it5 h PRO 141 CO 0.00 0.00 0.52 0.71 -0.23 0.00 0.00 178.00 179.00 3it5 s TYR 142 N -3.35 3.47 -0.20 1.56 2.02 -1.05 -1.50 117.35 118.31 3it5 s TYR 142 Ca 0.05 1.46 -0.08 0.00 -0.37 0.00 0.00 57.07 58.13 3it5 s TYR 142 Cb 0.09 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.32 3it5 s TYR 142 CO 0.52 -0.72 0.09 0.50 -1.57 0.00 0.00 175.55 174.36 3it5 s ARG 143 N 1.39 3.96 -0.05 -0.62 3.52 0.40 -0.62 118.95 126.92 3it5 s ARG 143 Ca 0.55 -0.34 -0.18 0.00 -0.13 0.00 0.00 55.73 55.62 3it5 s ARG 143 Cb -0.24 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 3it5 s ARG 143 CO 0.26 0.16 0.49 -1.50 -0.81 0.00 0.00 175.30 173.91 3it5 s ILE 144 N 0.69 5.05 -0.16 4.11 2.07 -0.56 -0.48 121.20 131.92 3it5 s ILE 144 Ca 0.04 1.01 -0.04 0.00 -1.41 0.00 0.00 60.65 60.25 3it5 s ILE 144 Cb -0.13 -3.82 -0.03 0.00 0.13 0.00 0.00 42.46 38.61 3it5 s ILE 144 CO 0.02 0.43 -0.03 0.21 -1.91 0.00 0.00 174.94 173.66 3it5 s ASN 145 N -0.13 4.86 0.02 4.50 2.47 -0.63 -0.94 114.94 125.09 3it5 s ASN 145 Ca 0.27 -0.12 -0.25 0.00 0.42 0.00 0.00 52.86 53.17 3it5 s ASN 145 Cb -0.17 -1.80 -0.05 0.00 -1.45 0.00 0.00 41.25 37.79 3it5 s ASN 145 CO 0.13 0.16 0.78 -0.69 -3.72 0.00 0.00 177.10 173.77 3it5 s VAL 146 N 0.41 4.80 0.52 -5.21 1.01 -1.26 -2.94 120.40 117.74 3it5 s VAL 146 Ca -0.03 1.66 -0.09 0.00 0.00 0.00 0.00 61.98 63.52 3it5 s VAL 146 Cb -0.14 -4.13 0.13 0.00 0.00 0.00 0.00 36.38 32.24 3it5 s VAL 146 CO 0.03 0.32 0.46 0.61 0.00 0.00 0.00 175.10 176.52 3it5 n GLY 147 N 2.59 -2.60 0.04 4.51 0.00 -1.25 -4.74 105.19 103.73 3it5 n GLY 147 Ca -0.01 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.51 0.19 -4.27 2.61 -2.24 -1.26 -4.93 114.28 100.87 3it5 n THR 148 Ca 0.06 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 3it5 n THR 148 Cb 0.25 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 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 -4.47 1.78 0.12 3.42 1.04 -1.26 -5.05 113.70 109.27 3it5 s SER 149 Ca -0.02 -1.06 -0.34 0.00 0.48 0.00 0.00 55.95 55.01 3it5 s SER 149 Cb 0.13 -0.00 -0.13 0.00 0.10 0.00 0.00 66.02 66.12 3it5 s SER 149 CO 0.85 -0.38 1.64 0.59 0.98 0.00 0.00 173.24 176.93 3it5 n ASN 150 N -0.24 3.21 0.00 7.02 3.02 -1.26 -1.28 115.26 125.72 3it5 n ASN 150 Ca -0.09 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 3it5 n ASN 150 Cb 0.61 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 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 4.09 0.00 -1.68 3.10 4.02 0.16 -4.99 117.16 121.86 3it5 n TYR 151 Ca 0.18 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.62 3it5 n TYR 151 Cb 0.29 -0.76 -0.04 0.00 -0.02 0.00 0.00 39.34 38.81 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 -0.35 3.42 0.00 7.72 2.03 -0.41 -4.28 116.55 124.69 3it5 n ASP 152 Ca 0.00 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.36 3it5 n ASP 152 Cb 0.17 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 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 4.31 0.91 -4.66 1.67 0.23 -1.26 -4.05 115.26 112.41 3it5 n ASN 153 Ca 0.18 -1.42 -0.44 0.00 -0.53 0.00 0.00 54.58 52.36 3it5 n ASN 153 Cb 0.31 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.97 3it5 n ASN 153 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3it5 n ASP 154 N -0.21 3.91 0.08 0.53 -0.08 -1.26 -4.48 116.55 115.03 3it5 n ASP 154 Ca 0.00 0.90 0.08 0.00 -1.51 0.00 0.00 54.79 54.25 3it5 n ASP 154 Cb 0.35 -1.48 0.35 0.00 2.34 0.00 0.00 41.12 42.68 3it5 n ASP 154 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3it5 h ARG 156 N 0.00 0.00 0.00 0.00 3.08 -2.01 -3.39 114.38 112.05 3it5 h ARG 156 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3it5 h ARG 156 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3it5 h ARG 156 CO 0.00 0.68 -1.77 0.54 -1.07 0.00 0.00 179.97 178.35 3it5 n ARG 157 N -3.46 0.34 -4.08 0.04 1.74 -0.10 -4.96 116.66 106.17 3it5 n ARG 157 Ca 0.00 0.08 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 3it5 n ARG 157 Cb 0.74 -1.26 -0.13 0.00 -1.02 0.00 0.00 32.46 30.79 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 -2.27 3.03 0.07 -1.55 5.04 0.68 -3.93 117.35 118.42 3it5 s TYR 158 Ca -0.18 -0.48 -0.26 0.00 -2.44 0.00 0.00 57.07 53.71 3it5 s TYR 158 Cb 0.05 -2.08 0.08 0.00 0.35 0.00 0.00 41.96 40.36 3it5 s TYR 158 CO 0.31 -0.25 0.69 1.52 -1.34 0.00 0.00 175.55 176.48 3it5 s TYR 159 N 1.00 -0.52 -0.34 4.97 -0.85 -1.15 -3.96 117.35 116.51 3it5 s TYR 159 Ca 0.02 0.47 -0.10 0.00 -0.52 0.00 0.00 57.07 56.94 3it5 s TYR 159 Cb -0.14 0.52 0.01 0.00 0.38 0.00 0.00 41.96 42.73 3it5 s TYR 159 CO 0.02 -0.72 0.17 -0.06 -1.52 0.00 0.00 175.55 173.44 3it5 s PHE 160 N -3.01 3.21 -0.36 -3.49 0.08 -0.23 -1.60 117.98 112.58 3it5 s PHE 160 Ca -0.01 -0.81 -0.15 0.00 0.12 0.00 0.00 56.93 56.09 3it5 s PHE 160 Cb -0.01 -2.38 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 3it5 s PHE 160 CO -0.07 -0.56 0.35 -0.47 -0.10 0.00 0.00 175.22 174.37 3it5 s TYR 161 N 1.57 3.21 -0.34 0.36 5.04 0.37 -0.69 117.35 126.87 3it5 s TYR 161 Ca 0.03 -0.13 -0.29 0.00 -2.44 0.00 0.00 57.07 54.24 3it5 s TYR 161 Cb -0.18 -2.66 -0.00 0.00 0.35 0.00 0.00 41.96 39.46 3it5 s TYR 161 CO 0.06 -0.46 1.51 1.21 -1.34 0.00 0.00 175.55 176.53 3it5 s ASN 162 N 1.74 6.31 0.00 4.32 3.84 0.17 -0.45 114.94 130.86 3it5 s ASN 162 Ca 0.10 1.13 0.31 0.00 0.21 0.00 0.00 52.86 54.62 3it5 s ASN 162 Cb -0.17 -2.54 1.62 0.00 -0.55 0.00 0.00 41.25 39.61 3it5 s ASN 162 CO 0.12 -1.40 2.09 0.00 -2.79 0.00 0.00 177.10 175.11 3it5 n GLN 163 N 7.95 0.69 -0.00 0.43 6.02 -0.56 -1.05 117.38 130.85 3it5 n GLN 163 Ca 0.18 -0.05 0.07 0.00 -0.01 0.00 0.00 57.00 57.20 3it5 n GLN 163 Cb 0.47 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.12 3it5 n GLN 163 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3it5 n SER 164 N -1.12 1.34 0.00 1.08 2.88 -1.26 -4.65 113.62 111.90 3it5 n SER 164 Ca 0.18 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 3it5 n SER 164 Cb 0.20 1.50 0.00 0.00 -0.75 0.00 0.00 64.21 65.16 3it5 n SER 164 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3it5 n ALA 165 N -1.84 1.56 -0.99 -1.46 0.00 -1.20 -5.02 120.51 111.55 3it5 n ALA 165 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3it5 n ALA 165 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 1.39 0.52 3.83 0.00 0.00 -0.22 -5.02 105.19 105.69 3it5 n GLY 166 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.19 4.70 -0.13 2.61 -4.23 -1.21 -4.89 115.64 110.30 3it5 s THR 167 Ca 0.00 1.04 -0.05 0.00 -1.18 0.00 0.00 61.69 61.50 3it5 s THR 167 Cb 0.00 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 3it5 s THR 167 CO 0.00 0.16 0.05 -0.89 -0.54 0.00 0.00 174.62 173.41 3it5 s THR 168 N -1.57 4.74 -0.12 3.99 2.01 -1.26 -0.66 115.64 122.77 3it5 s THR 168 Ca 0.43 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3it5 s THR 168 Cb -0.15 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.31 3it5 s THR 168 CO 0.20 0.55 -0.15 -1.00 -0.69 0.00 0.00 174.62 173.53 3it5 s HIS 169 N -0.42 2.08 0.37 4.92 3.76 0.13 -4.98 115.29 121.16 3it5 s HIS 169 Ca 0.09 -1.04 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 3it5 s HIS 169 Cb -0.12 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 3it5 s HIS 169 CO 0.02 -0.54 0.60 0.00 -0.85 0.00 0.00 174.74 173.96 3it5 s ALA 171 N -2.38 3.21 -1.23 0.00 0.00 -1.26 -3.12 121.76 116.98 3it5 s ALA 171 Ca 0.42 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3it5 s ALA 171 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3it5 s ALA 171 CO 0.37 -1.19 0.00 1.19 0.00 0.00 0.00 175.76 176.14 3it5 n PHE 172 N -0.24 -0.33 -4.41 0.00 0.99 -0.15 -4.99 117.46 108.32 3it5 n PHE 172 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.23 3it5 n PHE 172 Cb 0.42 -2.61 -0.12 0.00 -1.00 0.00 0.00 39.48 36.17 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 -3.94 1.53 0.14 -1.08 3.00 -1.18 -5.01 118.95 112.41 3it5 s ARG 173 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 55.73 53.95 3it5 s ARG 173 Cb 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 34.95 32.96 3it5 s ARG 173 CO 0.00 0.41 1.80 -2.14 0.00 0.00 0.00 175.30 175.37 3it5 s PRO 174 N -2.54 4.14 -0.39 3.54 0.02 -1.26 -4.32 135.00 134.18 3it5 s PRO 174 Ca 0.19 2.59 -0.05 0.00 0.02 0.00 0.00 61.00 63.76 3it5 s PRO 174 Cb -0.08 -3.46 0.09 0.00 0.02 0.00 0.00 34.50 31.06 3it5 s PRO 174 CO 0.09 -0.82 0.19 -1.17 -0.33 0.00 0.00 177.00 174.96 3it5 s LEU 175 N 2.33 4.98 0.24 -5.54 2.96 0.10 -4.91 118.68 118.83 3it5 s LEU 175 Ca 0.79 -1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 52.69 3it5 s LEU 175 Cb -0.47 -1.86 -0.10 0.00 0.50 0.00 0.00 46.19 44.26 3it5 s LEU 175 CO 0.35 -0.49 1.48 -0.47 -1.32 0.00 0.00 176.35 175.90 3it5 s TYR 176 N 1.26 3.00 -0.46 5.38 6.14 -1.26 -3.34 117.35 128.07 3it5 s TYR 176 Ca 0.04 0.93 -0.11 0.00 0.64 0.00 0.00 57.07 58.57 3it5 s TYR 176 Cb -0.22 -3.86 0.10 0.00 0.42 0.00 0.00 41.96 38.39 3it5 s TYR 176 CO -0.01 -2.88 0.34 1.21 0.64 0.00 0.00 175.55 174.84 3it5 s ASN 177 N 0.52 5.83 0.21 4.32 2.47 -0.81 -4.94 114.94 122.54 3it5 s ASN 177 Ca 0.62 -1.63 0.25 0.00 0.42 0.00 0.00 52.86 52.52 3it5 s ASN 177 Cb -0.43 -2.06 0.64 0.00 -1.45 0.00 0.00 41.25 37.95 3it5 s ASN 177 CO 0.41 -0.65 1.64 1.55 -3.72 0.00 0.00 177.10 176.33 3it5 h PRO 178 N 8.55 0.00 0.00 0.43 0.13 -1.94 0.52 132.00 139.69 3it5 h PRO 178 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3it5 h PRO 178 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3it5 h PRO 178 CO 0.85 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 3it5 n GLY 179 N 1.30 0.33 3.76 1.56 0.00 -1.26 -4.81 105.19 106.07 3it5 n GLY 179 Ca 0.05 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 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 4.52 0.61 0.99 1.43 -1.26 -3.97 118.68 121.00 3it5 s LEU 180 Ca 0.00 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 3it5 s LEU 180 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 3it5 s LEU 180 CO 0.00 -0.25 1.03 0.00 0.23 0.00 0.00 176.35 177.36 3it5 s ALA 181 N -1.13 3.06 -2.89 4.21 0.00 -1.26 -4.95 121.76 118.80 3it5 s ALA 181 Ca 0.46 -0.04 0.23 0.00 0.00 0.00 0.00 51.96 52.61 3it5 s ALA 181 Cb -0.34 -3.09 0.18 0.00 0.00 0.00 0.00 23.12 19.87 3it5 s ALA 181 CO 0.44 -0.68 1.23 1.28 0.00 0.00 0.00 175.76 178.03