#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nx5 s SER 2 N 0.00 7.24 0.19 1.61 0.01 -1.26 -3.90 113.70 117.59 2nx5 s SER 2 Ca 0.00 1.89 0.04 0.00 1.31 0.00 0.00 55.95 59.19 2nx5 s SER 2 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2nx5 s SER 2 CO 0.00 -0.14 -0.06 -1.00 0.41 0.00 0.00 173.24 172.44 2nx5 s HIS 3 N -1.61 1.42 -0.06 2.43 4.02 -0.00 -4.98 115.29 116.51 2nx5 s HIS 3 Ca 0.51 -0.81 -0.19 0.00 1.02 0.00 0.00 55.06 55.59 2nx5 s HIS 3 Cb -0.20 -0.76 0.04 0.00 -1.02 0.00 0.00 32.58 30.64 2nx5 s HIS 3 CO 0.25 0.05 0.43 -1.54 1.02 0.00 0.00 174.74 174.95 2nx5 s SER 4 N -3.24 -0.37 -0.09 1.40 1.04 -1.26 0.84 113.70 112.03 2nx5 s SER 4 Ca 0.22 0.44 0.01 0.00 0.48 0.00 0.00 55.95 57.09 2nx5 s SER 4 Cb 0.04 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2nx5 s SER 4 CO 0.04 -0.41 -0.10 -0.32 0.98 0.00 0.00 173.24 173.43 2nx5 s MET 5 N -0.90 2.99 0.02 4.02 0.00 -1.00 -0.32 119.30 124.10 2nx5 s MET 5 Ca -0.10 -0.62 0.02 0.00 0.00 0.00 0.00 55.69 54.99 2nx5 s MET 5 Cb -0.04 -2.59 -0.02 0.00 0.00 0.00 0.00 34.83 32.19 2nx5 s MET 5 CO 0.05 0.47 -0.06 1.03 0.00 0.00 0.00 175.02 176.51 2nx5 s ARG 6 N -0.30 0.43 0.00 4.11 1.81 -0.13 -2.22 118.95 122.65 2nx5 s ARG 6 Ca 0.03 -0.54 0.08 0.00 -1.72 0.00 0.00 55.73 53.59 2nx5 s ARG 6 Cb -0.13 -0.24 -0.02 0.00 -0.45 0.00 0.00 34.95 34.11 2nx5 s ARG 6 CO 0.03 0.05 -0.24 0.71 -0.68 0.00 0.00 175.30 175.16 2nx5 s TYR 7 N -0.98 2.17 -0.09 -0.53 1.51 -0.62 0.10 117.35 118.92 2nx5 s TYR 7 Ca -0.07 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 2nx5 s TYR 7 Cb -0.07 -1.37 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 2nx5 s TYR 7 CO 0.00 0.01 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.22 2nx5 s PHE 8 N -0.64 2.00 -0.02 2.71 0.40 0.61 -2.52 117.98 120.53 2nx5 s PHE 8 Ca 0.10 -0.84 0.06 0.00 -0.60 0.00 0.00 56.93 55.64 2nx5 s PHE 8 Cb -0.09 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 2nx5 s PHE 8 CO -0.00 -0.39 -0.18 0.71 0.70 0.00 0.00 175.22 176.06 2nx5 s TYR 9 N 0.67 2.58 -0.05 0.36 2.02 0.17 -1.29 117.35 121.81 2nx5 s TYR 9 Ca -0.13 -0.24 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2nx5 s TYR 9 Cb -0.16 -1.55 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 2nx5 s TYR 9 CO 0.04 0.16 0.03 0.99 -1.57 0.00 0.00 175.55 175.19 2nx5 s THR 10 N -0.76 0.13 -0.28 -0.71 2.01 0.25 -1.87 115.64 114.40 2nx5 s THR 10 Ca 0.12 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.38 2nx5 s THR 10 Cb -0.10 -0.31 0.07 0.00 0.01 0.00 0.00 72.50 72.16 2nx5 s THR 10 CO 0.02 0.20 -0.06 0.00 -0.69 0.00 0.00 174.62 174.09 2nx5 s ALA 11 N 1.82 2.68 -0.33 7.40 0.00 -0.75 0.39 121.76 132.97 2nx5 s ALA 11 Ca 0.01 -1.93 -0.09 0.00 0.00 0.00 0.00 51.96 49.95 2nx5 s ALA 11 Cb -0.12 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.28 2nx5 s ALA 11 CO -0.03 -1.32 0.15 -1.64 0.00 0.00 0.00 175.76 172.92 2nx5 s MET 12 N 1.09 3.05 0.23 0.00 -1.94 0.55 -2.32 119.30 119.96 2nx5 s MET 12 Ca -0.04 -0.91 -0.30 0.00 -1.71 0.00 0.00 55.69 52.73 2nx5 s MET 12 Cb -0.20 -3.58 -0.09 0.00 2.01 0.00 0.00 34.83 32.98 2nx5 s MET 12 CO -0.05 -0.54 1.03 -1.54 -0.01 0.00 0.00 175.02 173.90 2nx5 s SER 13 N 1.55 7.43 -0.40 3.03 1.04 -0.51 -0.97 113.70 124.87 2nx5 s SER 13 Ca 0.03 2.07 0.06 0.00 0.48 0.00 0.00 55.95 58.60 2nx5 s SER 13 Cb -0.18 -2.61 0.22 0.00 0.10 0.00 0.00 66.02 63.55 2nx5 s SER 13 CO 0.05 -0.03 0.46 -2.11 0.98 0.00 0.00 173.24 172.59 2nx5 n ARG 14 N 1.66 0.51 -1.74 4.02 1.85 -1.26 -3.86 116.66 117.83 2nx5 n ARG 14 Ca -0.00 -3.16 -0.42 0.00 -1.00 0.00 0.00 57.85 53.27 2nx5 n ARG 14 Cb 0.46 -1.39 -0.01 0.00 -1.05 0.00 0.00 32.46 30.47 2nx5 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2nx5 n PRO 15 N 1.98 2.47 -0.83 2.89 -0.02 -1.26 -0.75 135.00 139.47 2nx5 n PRO 15 Ca 0.24 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 2nx5 n PRO 15 Cb 0.51 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2nx5 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nx5 n GLY 16 N 0.87 1.25 0.37 -1.23 0.00 -1.26 -4.82 105.19 100.37 2nx5 n GLY 16 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2nx5 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nx5 n ARG 17 N -2.00 1.21 0.00 1.61 1.74 0.07 -5.12 116.66 114.17 2nx5 n ARG 17 Ca 0.00 -2.67 0.00 0.00 -0.77 0.00 0.00 57.85 54.41 2nx5 n ARG 17 Cb 0.00 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2nx5 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nx5 n GLY 18 N -1.10 -0.12 3.82 -0.13 0.00 -1.24 -4.96 105.19 101.47 2nx5 n GLY 18 Ca 0.15 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 2nx5 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nx5 s GLU 19 N 0.00 4.20 0.23 1.61 0.41 -1.26 -4.67 118.70 119.22 2nx5 s GLU 19 Ca 0.00 0.89 -0.32 0.00 -0.41 0.00 0.00 54.97 55.13 2nx5 s GLU 19 Cb 0.00 -2.61 -0.13 0.00 -1.78 0.00 0.00 34.13 29.62 2nx5 s GLU 19 CO 0.00 0.23 1.58 -2.30 -0.49 0.00 0.00 175.26 174.28 2nx5 n PRO 20 N 0.11 2.45 -3.15 0.39 -0.02 -1.26 -4.81 135.00 128.72 2nx5 n PRO 20 Ca 0.02 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 61.98 2nx5 n PRO 20 Cb 0.52 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 2nx5 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2nx5 s ARG 21 N 0.19 4.25 -0.18 -0.52 3.52 -0.15 -4.86 118.95 121.21 2nx5 s ARG 21 Ca 0.71 0.60 -0.09 0.00 -0.13 0.00 0.00 55.73 56.82 2nx5 s ARG 21 Cb -0.57 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.23 2nx5 s ARG 21 CO 0.43 -0.15 0.11 0.12 -0.81 0.00 0.00 175.30 174.99 2nx5 s PHE 22 N 1.61 3.39 -0.07 5.12 5.36 -1.26 -0.33 117.98 131.80 2nx5 s PHE 22 Ca 0.29 0.29 0.02 0.00 -0.96 0.00 0.00 56.93 56.56 2nx5 s PHE 22 Cb -0.16 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 2nx5 s PHE 22 CO 0.11 0.33 -0.12 0.42 -1.46 0.00 0.00 175.22 174.50 2nx5 s ILE 23 N 0.09 1.10 -0.09 3.12 1.01 0.16 -1.35 121.20 125.25 2nx5 s ILE 23 Ca 0.08 -0.46 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 2nx5 s ILE 23 Cb -0.12 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.36 2nx5 s ILE 23 CO -0.00 0.35 -0.06 0.00 0.00 0.00 0.00 174.94 175.22 2nx5 s ALA 24 N 0.71 1.13 0.07 9.38 0.00 -0.27 -0.58 121.76 132.19 2nx5 s ALA 24 Ca -0.14 -0.40 0.10 0.00 0.00 0.00 0.00 51.96 51.52 2nx5 s ALA 24 Cb -0.16 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 2nx5 s ALA 24 CO 0.03 -0.34 -0.26 0.14 0.00 0.00 0.00 175.76 175.33 2nx5 s VAL 25 N 1.59 2.15 0.08 0.00 -7.23 -0.41 0.04 120.40 116.62 2nx5 s VAL 25 Ca 0.02 -1.51 0.09 0.00 -1.81 0.00 0.00 61.98 58.77 2nx5 s VAL 25 Cb -0.13 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 2nx5 s VAL 25 CO -0.06 0.26 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.93 2nx5 s GLY 26 N -1.53 1.56 0.01 2.32 0.00 -0.56 -0.28 107.32 108.83 2nx5 s GLY 26 Ca 0.12 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.54 2nx5 s GLY 26 CO 0.03 -1.25 -0.07 -0.19 0.00 0.00 0.00 173.10 171.63 2nx5 s TYR 27 N -0.97 0.59 -0.26 1.90 1.51 0.12 -2.38 117.35 117.85 2nx5 s TYR 27 Ca 0.14 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 2nx5 s TYR 27 Cb -0.10 -0.37 0.05 0.00 -0.11 0.00 0.00 41.96 41.43 2nx5 s TYR 27 CO 0.06 -0.03 -0.09 0.08 -1.11 0.00 0.00 175.55 174.46 2nx5 s VAL 28 N -0.56 2.37 0.00 0.71 1.01 0.16 -0.95 120.40 123.15 2nx5 s VAL 28 Ca -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2nx5 s VAL 28 Cb -0.05 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2nx5 s VAL 28 CO 0.00 -0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.57 2nx5 n ASP 29 N 4.49 0.00 -0.27 3.32 8.00 0.56 -0.82 116.55 131.84 2nx5 n ASP 29 Ca -0.14 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.40 2nx5 n ASP 29 Cb 0.43 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.63 2nx5 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nx5 n ASP 30 N 9.64 2.53 -4.42 -2.24 8.00 -1.26 -4.94 116.55 123.85 2nx5 n ASP 30 Ca 0.00 -2.40 -0.39 0.00 0.71 0.00 0.00 54.79 52.70 2nx5 n ASP 30 Cb 0.00 -0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 2nx5 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2nx5 s THR 31 N -1.71 4.63 0.13 -3.53 2.01 0.00 -5.07 115.64 112.10 2nx5 s THR 31 Ca 0.18 -0.57 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 2nx5 s THR 31 Cb 0.14 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 2nx5 s THR 31 CO 0.05 -0.05 1.38 -1.58 -0.69 0.00 0.00 174.62 173.74 2nx5 s GLN 32 N 1.60 4.33 0.00 4.92 0.74 -1.26 -0.67 119.66 129.32 2nx5 s GLN 32 Ca 0.04 2.09 0.00 0.00 0.05 0.00 0.00 55.36 57.53 2nx5 s GLN 32 Cb -0.18 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.70 2nx5 s GLN 32 CO 0.07 -0.42 0.00 1.97 -0.55 0.00 0.00 175.29 176.36 2nx5 n PHE 33 N 3.72 0.00 -3.93 1.67 -1.74 -1.00 -3.67 117.46 112.50 2nx5 n PHE 33 Ca 0.11 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.90 2nx5 n PHE 33 Cb 0.42 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.31 2nx5 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2nx5 s VAL 34 N -1.30 0.09 -0.08 1.97 -7.23 -1.25 -1.37 120.40 111.23 2nx5 s VAL 34 Ca 0.00 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.34 2nx5 s VAL 34 Cb 0.00 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.67 2nx5 s VAL 34 CO 0.00 -0.41 0.26 0.00 -0.31 0.00 0.00 175.10 174.65 2nx5 s ARG 35 N -1.27 0.36 -0.03 4.82 1.70 -0.45 -1.50 118.95 122.58 2nx5 s ARG 35 Ca -0.14 0.26 0.02 0.00 -0.47 0.00 0.00 55.73 55.40 2nx5 s ARG 35 Cb -0.08 0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.48 2nx5 s ARG 35 CO -0.00 -0.06 -0.08 0.12 -1.08 0.00 0.00 175.30 174.20 2nx5 s PHE 36 N -0.12 0.90 -0.05 5.89 2.19 0.11 -1.62 117.98 125.28 2nx5 s PHE 36 Ca -0.02 -0.24 0.02 0.00 0.33 0.00 0.00 56.93 57.01 2nx5 s PHE 36 Cb -0.03 -0.68 0.02 0.00 -1.31 0.00 0.00 43.02 41.02 2nx5 s PHE 36 CO 0.01 -0.13 -0.07 0.34 1.83 0.00 0.00 175.22 177.20 2nx5 s ASP 37 N 0.39 1.15 0.31 6.13 2.15 -1.26 -1.12 116.67 124.42 2nx5 s ASP 37 Ca -0.06 -0.17 0.06 0.00 0.43 0.00 0.00 52.55 52.80 2nx5 s ASP 37 Cb -0.10 -0.53 0.51 0.00 -0.30 0.00 0.00 42.92 42.50 2nx5 s ASP 37 CO 0.01 -0.02 1.76 0.77 -0.17 0.00 0.00 175.17 177.52 2nx5 h SER 38 N 7.02 0.34 -0.29 -0.34 4.64 -1.60 -3.17 113.55 120.15 2nx5 h SER 38 Ca -0.36 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 2nx5 h SER 38 Cb 1.16 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2nx5 h SER 38 CO 0.48 0.62 0.01 0.44 -0.87 0.00 0.00 176.83 177.50 2nx5 h ASP 39 N 0.30 0.57 -2.57 4.97 3.45 -1.96 -3.45 116.42 117.73 2nx5 h ASP 39 Ca 0.04 -0.11 -0.60 0.00 0.43 0.00 0.00 57.03 56.79 2nx5 h ASP 39 Cb 0.65 -0.15 0.15 0.00 -0.56 0.00 0.00 39.33 39.42 2nx5 h ASP 39 CO 0.05 0.64 -0.35 0.00 -1.57 0.00 0.00 179.24 178.00 2nx5 n ALA 40 N -2.47 -1.26 -0.09 3.45 0.00 -1.20 -4.89 120.51 114.05 2nx5 n ALA 40 Ca 0.02 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 2nx5 n ALA 40 Cb 0.26 -1.81 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 2nx5 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nx5 h ALA 41 N 0.72 -0.18 -3.32 0.00 0.00 -1.92 -3.22 119.26 111.33 2nx5 h ALA 41 Ca -0.42 0.09 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 2nx5 h ALA 41 Cb 1.39 0.65 -0.39 0.00 0.00 0.00 0.00 17.79 19.43 2nx5 h ALA 41 CO 0.51 -0.72 -0.55 -1.54 0.00 0.00 0.00 179.25 176.94 2nx5 s SER 42 N -5.05 4.57 -0.76 0.00 1.04 -1.26 -5.05 113.70 107.19 2nx5 s SER 42 Ca -0.15 -2.98 -0.24 0.00 0.48 0.00 0.00 55.95 53.07 2nx5 s SER 42 Cb 0.13 -1.70 -0.16 0.00 0.10 0.00 0.00 66.02 64.39 2nx5 s SER 42 CO 0.68 -0.27 2.40 -2.65 0.98 0.00 0.00 173.24 174.38 2nx5 n PRO 43 N 3.20 0.54 -4.34 4.02 -0.02 -1.22 -4.88 135.00 132.30 2nx5 n PRO 43 Ca 0.06 -0.39 -0.19 0.00 -2.02 0.00 0.00 63.50 60.96 2nx5 n PRO 43 Cb 0.34 -2.95 -0.10 0.00 -0.02 0.00 0.00 33.50 30.76 2nx5 n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2nx5 s ARG 44 N 8.44 1.31 -0.03 -0.52 1.70 -1.26 -4.95 118.95 123.63 2nx5 s ARG 44 Ca 1.06 -1.54 -0.30 0.00 -0.47 0.00 0.00 55.73 54.48 2nx5 s ARG 44 Cb -0.38 -1.17 -0.04 0.00 -0.57 0.00 0.00 34.95 32.79 2nx5 s ARG 44 CO 0.26 0.21 1.20 0.99 -1.08 0.00 0.00 175.30 176.87 2nx5 s THR 45 N -2.71 4.21 -0.06 4.99 2.01 -1.26 -4.63 115.64 118.19 2nx5 s THR 45 Ca 0.20 1.55 0.04 0.00 0.31 0.00 0.00 61.69 63.80 2nx5 s THR 45 Cb -0.02 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2nx5 s THR 45 CO 0.07 0.03 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.25 2nx5 s GLU 46 N 1.96 2.64 0.60 4.92 2.02 -0.64 -4.98 118.70 125.22 2nx5 s GLU 46 Ca 0.57 -0.75 -0.13 0.00 0.02 0.00 0.00 54.97 54.68 2nx5 s GLU 46 Cb -0.26 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 2nx5 s GLU 46 CO 0.24 0.51 1.03 -1.25 0.02 0.00 0.00 175.26 175.80 2nx5 s PRO 47 N -0.44 3.53 0.00 0.39 0.04 -1.26 -1.35 135.00 135.91 2nx5 s PRO 47 Ca 0.05 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2nx5 s PRO 47 Cb -0.12 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2nx5 s PRO 47 CO 0.02 -0.63 0.00 0.54 0.04 0.00 0.00 177.00 176.97 2nx5 n ARG 48 N -2.36 2.95 -4.73 4.56 5.12 -0.47 -4.88 116.66 116.87 2nx5 n ARG 48 Ca 0.07 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.75 2nx5 n ARG 48 Cb 0.54 -0.33 -0.15 0.00 -1.16 0.00 0.00 32.46 31.35 2nx5 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2nx5 s ALA 49 N -0.31 1.32 0.37 7.54 0.00 -1.24 -4.83 121.76 124.61 2nx5 s ALA 49 Ca 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 51.96 51.37 2nx5 s ALA 49 Cb 0.00 -0.33 0.87 0.00 0.00 0.00 0.00 23.12 23.66 2nx5 s ALA 49 CO 0.00 0.32 1.89 -1.35 0.00 0.00 0.00 175.76 176.62 2nx5 h PRO 50 N 5.69 0.61 0.00 0.00 0.11 -1.97 -1.27 132.00 135.17 2nx5 h PRO 50 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2nx5 h PRO 50 Cb 1.16 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2nx5 h PRO 50 CO 0.48 0.40 0.00 0.11 -0.21 0.00 0.00 178.00 178.79 2nx5 h TRP 51 N 0.63 0.00 0.00 0.65 5.08 -1.97 -2.89 115.95 117.45 2nx5 h TRP 51 Ca 0.42 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.39 2nx5 h TRP 51 Cb 0.72 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.88 2nx5 h TRP 51 CO -0.00 0.00 -0.91 1.51 -1.28 0.00 0.00 178.44 177.76 2nx5 n ILE 52 N -2.83 0.47 0.89 0.12 0.13 -0.48 -4.12 119.36 113.55 2nx5 n ILE 52 Ca -0.01 -0.43 0.09 0.00 -1.10 0.00 0.00 62.75 61.31 2nx5 n ILE 52 Cb 0.17 -0.20 0.47 0.00 -0.84 0.00 0.00 39.64 39.24 2nx5 n ILE 52 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2nx5 n GLU 53 N -2.41 0.30 0.00 9.51 1.02 -1.09 -3.03 120.64 124.94 2nx5 n GLU 53 Ca 0.01 0.10 0.13 0.00 -0.02 0.00 0.00 57.16 57.38 2nx5 n GLU 53 Cb 0.50 -1.50 0.37 0.00 -0.02 0.00 0.00 31.44 30.79 2nx5 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nx5 n GLN 54 N -1.25 1.47 -2.72 3.49 10.64 -1.26 -4.92 117.38 122.83 2nx5 n GLN 54 Ca 0.09 -0.96 -0.41 0.00 -1.83 0.00 0.00 57.00 53.89 2nx5 n GLN 54 Cb 0.13 -1.48 -0.04 0.00 -0.86 0.00 0.00 30.24 27.99 2nx5 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2nx5 s GLU 55 N -2.20 4.66 0.94 2.61 0.41 -1.17 -5.03 118.70 118.92 2nx5 s GLU 55 Ca 0.31 1.44 -0.11 0.00 -0.41 0.00 0.00 54.97 56.20 2nx5 s GLU 55 Cb 0.20 -3.40 0.16 0.00 -1.78 0.00 0.00 34.13 29.31 2nx5 s GLU 55 CO 0.41 0.14 1.12 0.20 -0.49 0.00 0.00 175.26 176.64 2nx5 s GLY 56 N 0.27 1.66 0.28 -1.39 0.00 -1.26 -4.83 107.32 102.05 2nx5 s GLY 56 Ca 0.48 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.65 2nx5 s GLY 56 CO 0.29 0.90 1.72 -2.55 0.00 0.00 0.00 173.10 173.46 2nx5 h PRO 57 N -1.91 0.47 -0.90 2.90 0.11 -2.00 0.37 132.00 131.05 2nx5 h PRO 57 Ca -0.46 -0.03 0.25 0.00 0.11 0.00 0.00 66.00 65.87 2nx5 h PRO 57 Cb 1.27 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 2nx5 h PRO 57 CO 0.44 0.31 0.25 1.49 -0.21 0.00 0.00 178.00 180.29 2nx5 h GLU 58 N 0.48 0.19 -0.44 1.05 4.57 -1.99 0.77 114.58 119.21 2nx5 h GLU 58 Ca 0.51 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.71 2nx5 h GLU 58 Cb 0.88 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 2nx5 h GLU 58 CO -0.46 0.13 0.25 -0.92 -1.18 0.00 0.00 179.01 176.83 2nx5 h TYR 59 N 0.20 0.47 -0.17 0.92 3.20 -1.24 -1.72 116.97 118.62 2nx5 h TYR 59 Ca 0.58 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 62.29 2nx5 h TYR 59 Cb 1.19 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 2nx5 h TYR 59 CO -0.25 0.26 -0.60 -1.49 -1.64 0.00 0.00 178.16 174.43 2nx5 h TRP 60 N 0.50 0.74 -0.65 -3.82 4.06 -0.92 -1.13 115.95 114.73 2nx5 h TRP 60 Ca 0.18 -0.28 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 2nx5 h TRP 60 Cb 0.04 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 2nx5 h TRP 60 CO -0.08 1.04 0.24 -0.44 -3.56 0.00 0.00 178.44 175.63 2nx5 h ASP 61 N 0.43 0.90 -0.28 -3.49 5.19 -1.05 -1.03 116.42 117.08 2nx5 h ASP 61 Ca -0.00 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.16 2nx5 h ASP 61 Cb 1.17 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.44 2nx5 h ASP 61 CO 0.11 0.82 -0.26 -0.09 -3.12 0.00 0.00 179.24 176.71 2nx5 h ARG 62 N 0.95 0.67 -0.07 3.56 2.43 -0.98 -0.96 114.38 119.99 2nx5 h ARG 62 Ca 0.22 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2nx5 h ARG 62 Cb 0.22 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2nx5 h ARG 62 CO -0.02 0.95 -0.01 -0.91 -1.51 0.00 0.00 179.97 178.47 2nx5 h ASN 63 N 0.41 0.13 -0.60 -3.80 2.35 -1.11 -2.51 115.58 110.44 2nx5 h ASN 63 Ca 0.05 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2nx5 h ASN 63 Cb 0.82 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 2nx5 h ASN 63 CO 0.06 0.46 0.38 0.74 -1.65 0.00 0.00 177.43 177.42 2nx5 h THR 64 N -0.20 1.17 -0.20 2.81 2.02 -1.25 -1.26 112.91 116.00 2nx5 h THR 64 Ca 0.02 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 66.89 2nx5 h THR 64 Cb 0.40 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 2nx5 h THR 64 CO 0.01 0.17 -0.15 -0.61 0.37 0.00 0.00 175.52 175.31 2nx5 h GLN 65 N 0.82 -0.15 -0.65 6.66 4.15 -1.18 0.09 115.11 124.85 2nx5 h GLN 65 Ca 0.22 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 2nx5 h GLN 65 Cb -0.05 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2nx5 h GLN 65 CO -0.04 -0.10 0.40 0.82 -1.93 0.00 0.00 178.83 177.98 2nx5 h ILE 66 N -0.16 1.18 -0.10 2.39 2.04 -1.15 -1.09 117.51 120.62 2nx5 h ILE 66 Ca 0.12 -0.39 -0.19 0.00 1.00 0.00 0.00 64.86 65.40 2nx5 h ILE 66 Cb 0.33 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2nx5 h ILE 66 CO -0.29 0.19 -0.74 -0.26 0.00 0.00 0.00 178.15 177.05 2nx5 h PHE 67 N 0.88 0.68 0.00 1.37 0.04 -0.85 0.29 116.94 119.35 2nx5 h PHE 67 Ca 0.23 -0.30 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2nx5 h PHE 67 Cb -0.04 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 2nx5 h PHE 67 CO -0.02 1.08 -0.30 0.87 -0.60 0.00 0.00 178.31 179.34 2nx5 h LYS 68 N 0.35 0.00 -0.06 1.51 1.57 -0.92 -0.40 116.57 118.62 2nx5 h LYS 68 Ca -0.04 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.50 2nx5 h LYS 68 Cb 1.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.65 2nx5 h LYS 68 CO 0.13 0.30 -0.92 1.15 -0.57 0.00 0.00 179.45 179.54 2nx5 h THR 69 N 0.00 1.30 -0.46 -0.16 2.02 -0.80 -3.23 112.91 111.58 2nx5 h THR 69 Ca -0.00 -2.16 -0.08 0.00 0.77 0.00 0.00 66.41 64.94 2nx5 h THR 69 Cb 0.55 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 2nx5 h THR 69 CO 0.04 0.67 -0.03 0.78 0.37 0.00 0.00 175.52 177.35 2nx5 h ASN 70 N 0.42 0.76 -0.42 4.18 4.21 -0.11 -3.02 115.58 121.61 2nx5 h ASN 70 Ca -0.09 -0.19 0.09 0.00 1.21 0.00 0.00 56.30 57.31 2nx5 h ASN 70 Cb 1.56 -0.20 -0.09 0.00 -1.12 0.00 0.00 38.32 38.47 2nx5 h ASN 70 CO 0.18 0.84 -0.17 0.74 -1.29 0.00 0.00 177.43 177.73 2nx5 h THR 71 N 0.73 0.45 0.05 2.81 2.02 -1.09 0.64 112.91 118.52 2nx5 h THR 71 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 2nx5 h THR 71 Cb 0.48 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2nx5 h THR 71 CO 0.02 0.00 -0.03 1.56 0.37 0.00 0.00 175.52 177.45 2nx5 h GLN 72 N -0.09 -0.07 -0.74 6.66 1.08 -1.59 -2.41 115.11 117.96 2nx5 h GLN 72 Ca 0.20 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.48 2nx5 h GLN 72 Cb 0.40 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 2nx5 h GLN 72 CO -0.48 0.03 0.42 1.15 -0.95 0.00 0.00 178.83 179.00 2nx5 h THR 73 N -0.15 0.96 0.00 -0.54 2.02 -1.29 0.08 112.91 113.98 2nx5 h THR 73 Ca -0.01 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 2nx5 h THR 73 Cb 0.13 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2nx5 h THR 73 CO 0.01 0.14 -0.56 1.88 0.37 0.00 0.00 175.52 177.36 2nx5 h TYR 74 N 0.75 0.00 -0.55 3.16 -1.99 -0.87 -0.03 116.97 117.44 2nx5 h TYR 74 Ca 0.34 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.96 2nx5 h TYR 74 Cb 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 2nx5 h TYR 74 CO -0.07 0.56 -0.08 0.00 -0.00 0.00 0.00 178.16 178.57 2nx5 h ARG 75 N 0.00 1.02 -0.62 4.88 3.08 -0.81 -0.36 114.38 121.57 2nx5 h ARG 75 Ca -0.01 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 2nx5 h ARG 75 Cb 1.09 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 2nx5 h ARG 75 CO 0.07 1.05 0.34 1.49 -1.07 0.00 0.00 179.97 181.85 2nx5 h GLU 76 N 0.90 0.87 -0.65 0.04 4.81 -0.66 -2.59 114.58 117.30 2nx5 h GLU 76 Ca 0.14 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2nx5 h GLU 76 Cb 0.65 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2nx5 h GLU 76 CO 0.04 0.67 0.10 0.77 -0.73 0.00 0.00 179.01 179.86 2nx5 h SER 77 N 0.85 1.03 0.38 1.04 0.02 -0.89 -0.95 113.55 115.03 2nx5 h SER 77 Ca 0.22 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2nx5 h SER 77 Cb 0.05 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 2nx5 h SER 77 CO -0.03 1.03 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.48 2nx5 h LEU 78 N 0.99 0.00 0.21 5.07 3.38 -0.85 0.16 115.31 124.27 2nx5 h LEU 78 Ca 0.20 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 2nx5 h LEU 78 Cb 0.44 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.21 2nx5 h LEU 78 CO 0.01 0.14 -1.62 0.03 0.09 0.00 0.00 178.44 177.09 2nx5 h ARG 79 N 0.00 0.44 0.07 1.13 3.08 -1.24 -3.15 114.38 114.71 2nx5 h ARG 79 Ca -0.00 -0.75 0.02 0.00 0.07 0.00 0.00 59.98 59.32 2nx5 h ARG 79 Cb 0.36 0.28 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 2nx5 h ARG 79 CO 0.02 1.35 -0.24 -0.91 -1.07 0.00 0.00 179.97 179.12 2nx5 h ASN 80 N 0.12 -0.68 -0.55 7.04 -0.26 -0.27 -1.54 115.58 119.45 2nx5 h ASN 80 Ca -0.30 0.09 -0.10 0.00 -0.56 0.00 0.00 56.30 55.43 2nx5 h ASN 80 Cb 2.12 0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 39.63 2nx5 h ASN 80 CO 0.22 -0.32 -0.03 -0.07 -1.06 0.00 0.00 177.43 176.18 2nx5 h LEU 81 N -0.41 0.99 -1.30 1.61 3.38 -0.87 -0.40 115.31 118.31 2nx5 h LEU 81 Ca 0.04 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2nx5 h LEU 81 Cb 0.46 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2nx5 h LEU 81 CO -0.17 1.06 0.48 -0.09 0.09 0.00 0.00 178.44 179.81 2nx5 h ARG 82 N 0.92 0.91 0.00 1.13 2.43 -1.50 -1.70 114.38 116.58 2nx5 h ARG 82 Ca 0.16 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2nx5 h ARG 82 Cb 0.57 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2nx5 h ARG 82 CO 0.03 0.60 -0.43 0.78 -1.51 0.00 0.00 179.97 179.45 2nx5 h GLY 83 N 0.94 0.00 0.40 2.80 0.00 -0.48 -1.46 103.07 105.27 2nx5 h GLY 83 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 2nx5 h GLY 83 CO -0.07 0.00 -0.00 -0.97 0.00 0.00 0.00 176.54 175.50 2nx5 h TYR 84 N 0.00 -0.01 -0.00 5.60 0.05 -0.19 -3.24 116.97 119.17 2nx5 h TYR 84 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2nx5 h TYR 84 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2nx5 h TYR 84 CO 0.00 0.58 -0.04 0.66 -1.05 0.00 0.00 178.16 178.31 2nx5 n TYR 85 N -4.81 0.00 -3.82 4.88 4.01 -0.93 -4.92 117.16 111.57 2nx5 n TYR 85 Ca -0.09 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.38 2nx5 n TYR 85 Cb 0.30 -0.22 0.03 0.00 -0.31 0.00 0.00 39.34 39.15 2nx5 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2nx5 n ASN 86 N -1.13 -3.93 -4.87 7.72 3.02 -1.02 -5.01 115.26 110.04 2nx5 n ASN 86 Ca 0.15 -0.77 -0.31 0.00 -0.03 0.00 0.00 54.58 53.63 2nx5 n ASN 86 Cb 0.24 -4.06 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 2nx5 n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2nx5 s GLN 87 N -6.40 3.80 0.62 3.52 -0.21 -0.58 -5.04 119.66 115.37 2nx5 s GLN 87 Ca 0.47 0.63 -0.14 0.00 0.02 0.00 0.00 55.36 56.34 2nx5 s GLN 87 Cb -0.23 -2.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 2nx5 s GLN 87 CO 0.81 -0.17 1.05 -1.54 -2.12 0.00 0.00 175.29 173.33 2nx5 s SER 88 N -3.27 5.80 0.35 5.90 1.04 -1.26 -4.75 113.70 117.51 2nx5 s SER 88 Ca 0.54 1.70 0.24 0.00 0.48 0.00 0.00 55.95 58.91 2nx5 s SER 88 Cb -0.10 -2.51 1.29 0.00 0.10 0.00 0.00 66.02 64.79 2nx5 s SER 88 CO 0.34 -1.16 1.73 -0.33 0.98 0.00 0.00 173.24 174.80 2nx5 h GLU 89 N 0.10 0.00 0.17 4.02 4.39 -1.97 -3.17 114.58 118.13 2nx5 h GLU 89 Ca -0.46 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 58.92 2nx5 h GLU 89 Cb 1.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 2nx5 h GLU 89 CO 0.58 0.00 -1.53 0.00 -1.16 0.00 0.00 179.01 176.90 2nx5 h ALA 90 N 2.01 0.12 -2.77 3.43 0.00 -1.98 -3.44 119.26 116.64 2nx5 h ALA 90 Ca 0.00 -1.03 -0.53 0.00 0.00 0.00 0.00 54.91 53.34 2nx5 h ALA 90 Cb 0.01 0.26 0.14 0.00 0.00 0.00 0.00 17.79 18.20 2nx5 h ALA 90 CO 0.00 0.99 0.43 0.20 0.00 0.00 0.00 179.25 180.87 2nx5 s GLY 91 N -4.87 2.51 -0.35 0.00 0.00 -1.20 -4.63 107.32 98.77 2nx5 s GLY 91 Ca -0.10 0.94 -0.13 0.00 0.00 0.00 0.00 44.72 45.43 2nx5 s GLY 91 CO 0.88 1.34 0.25 -0.56 0.00 0.00 0.00 173.10 175.01 2nx5 s SER 92 N -1.87 6.04 0.17 1.64 0.01 -1.26 -4.68 113.70 113.76 2nx5 s SER 92 Ca 0.76 -0.54 0.11 0.00 1.31 0.00 0.00 55.95 57.58 2nx5 s SER 92 Cb -0.30 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2nx5 s SER 92 CO 0.41 -0.28 -0.21 -1.00 0.41 0.00 0.00 173.24 172.57 2nx5 s HIS 93 N 1.71 2.39 -0.06 2.43 3.76 -1.25 -4.98 115.29 119.30 2nx5 s HIS 93 Ca 0.06 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 2nx5 s HIS 93 Cb -0.18 -1.21 0.02 0.00 1.11 0.00 0.00 32.58 32.32 2nx5 s HIS 93 CO 0.10 0.46 -0.06 0.42 -0.85 0.00 0.00 174.74 174.81 2nx5 s ILE 94 N -1.50 0.67 -0.21 0.60 1.01 -1.26 -1.42 121.20 119.09 2nx5 s ILE 94 Ca 0.20 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 2nx5 s ILE 94 Cb -0.09 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2nx5 s ILE 94 CO 0.10 0.26 0.07 -0.63 0.00 0.00 0.00 174.94 174.74 2nx5 s ILE 95 N 1.02 4.67 -0.01 2.92 1.01 -0.98 -1.28 121.20 128.56 2nx5 s ILE 95 Ca -0.09 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.54 2nx5 s ILE 95 Cb -0.14 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2nx5 s ILE 95 CO -0.00 0.41 -0.14 -1.10 0.00 0.00 0.00 174.94 174.11 2nx5 s GLN 96 N 0.80 2.35 -0.02 2.79 -0.21 -0.39 -1.81 119.66 123.18 2nx5 s GLN 96 Ca 0.04 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2nx5 s GLN 96 Cb -0.13 -2.33 0.02 0.00 1.00 0.00 0.00 33.01 31.57 2nx5 s GLN 96 CO 0.02 0.59 0.00 0.50 -2.12 0.00 0.00 175.29 174.29 2nx5 s ARG 97 N -1.12 0.19 -0.07 2.91 3.52 -0.78 -1.17 118.95 122.43 2nx5 s ARG 97 Ca 0.14 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.83 2nx5 s ARG 97 Cb -0.11 -0.36 0.02 0.00 -1.56 0.00 0.00 34.95 32.94 2nx5 s ARG 97 CO 0.04 -0.11 -0.09 0.00 -0.81 0.00 0.00 175.30 174.32 2nx5 s MET 98 N 0.84 1.41 0.07 5.12 0.23 -0.43 0.42 119.30 126.97 2nx5 s MET 98 Ca -0.08 -0.29 -0.01 0.00 -1.03 0.00 0.00 55.69 54.28 2nx5 s MET 98 Cb -0.11 -1.28 -0.04 0.00 -1.53 0.00 0.00 34.83 31.87 2nx5 s MET 98 CO -0.02 -0.06 -0.00 1.52 -2.03 0.00 0.00 175.02 174.43 2nx5 s TYR 99 N 0.95 0.60 0.00 3.16 1.13 -1.05 -0.25 117.35 121.89 2nx5 s TYR 99 Ca -0.10 -1.10 0.00 0.00 -1.41 0.00 0.00 57.07 54.46 2nx5 s TYR 99 Cb -0.15 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 2nx5 s TYR 99 CO 0.00 -0.42 0.00 0.41 -2.51 0.00 0.00 175.55 173.03 2nx5 n GLY 100 N 0.05 -0.16 3.17 5.49 0.00 -0.32 -1.59 105.19 111.84 2nx5 n GLY 100 Ca -0.12 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 2nx5 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nx5 s ASP 102 N 0.13 6.83 -0.12 0.00 1.11 -0.02 -2.38 116.67 122.21 2nx5 s ASP 102 Ca -0.08 0.99 -0.00 0.00 0.18 0.00 0.00 52.55 53.63 2nx5 s ASP 102 Cb -0.14 -2.28 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 2nx5 s ASP 102 CO 0.04 0.22 -0.13 -0.76 1.18 0.00 0.00 175.17 175.72 2nx5 s LEU 103 N -0.58 2.74 0.88 1.23 1.43 0.25 0.15 118.68 124.77 2nx5 s LEU 103 Ca 0.25 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 2nx5 s LEU 103 Cb -0.17 -1.61 0.12 0.00 0.03 0.00 0.00 46.19 44.55 2nx5 s LEU 103 CO 0.14 0.18 1.11 -0.83 0.23 0.00 0.00 176.35 177.18 2nx5 s GLY 104 N 0.26 1.60 0.00 -3.19 0.00 0.00 -0.82 107.32 105.17 2nx5 s GLY 104 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2nx5 s GLY 104 CO 0.05 0.19 0.70 -1.05 0.00 0.00 0.00 173.10 172.99 2nx5 n PRO 105 N -3.71 0.00 -2.82 2.90 -0.02 -1.25 -1.73 135.00 128.37 2nx5 n PRO 105 Ca 0.07 0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.67 2nx5 n PRO 105 Cb 0.57 -1.66 0.02 0.00 -0.02 0.00 0.00 33.50 32.41 2nx5 n PRO 105 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2nx5 n ASP 106 N -1.20 1.05 0.00 2.55 5.75 -1.26 -3.60 116.55 119.85 2nx5 n ASP 106 Ca 0.00 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.97 2nx5 n ASP 106 Cb 0.16 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2nx5 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nx5 n GLY 107 N 0.03 2.02 3.90 6.12 0.00 -0.71 -5.01 105.19 111.54 2nx5 n GLY 107 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2nx5 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nx5 s ARG 108 N -0.08 3.65 -0.07 1.61 1.81 -1.26 -4.86 118.95 119.75 2nx5 s ARG 108 Ca 0.00 -0.00 -0.30 0.00 -1.72 0.00 0.00 55.73 53.71 2nx5 s ARG 108 Cb 0.00 -2.71 -0.05 0.00 -0.45 0.00 0.00 34.95 31.73 2nx5 s ARG 108 CO 0.00 0.32 1.63 -1.17 -0.68 0.00 0.00 175.30 175.40 2nx5 s LEU 109 N -3.17 4.29 -0.13 2.53 2.96 -1.26 -0.81 118.68 123.09 2nx5 s LEU 109 Ca 0.43 2.18 -0.17 0.00 -0.22 0.00 0.00 54.13 56.35 2nx5 s LEU 109 Cb -0.11 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.90 2nx5 s LEU 109 CO 0.27 -0.93 0.39 0.25 -1.32 0.00 0.00 176.35 175.01 2nx5 h LEU 110 N 10.28 0.00 -7.13 -0.68 5.85 0.10 -3.46 115.31 120.27 2nx5 h LEU 110 Ca -0.38 -0.54 0.14 0.00 0.84 0.00 0.00 57.88 57.94 2nx5 h LEU 110 Cb 1.17 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.06 2nx5 h LEU 110 CO 0.96 0.85 0.53 0.00 -0.34 0.00 0.00 178.44 180.43 2nx5 s ARG 111 N -1.99 0.83 -0.11 1.25 1.70 -1.19 -4.98 118.95 114.46 2nx5 s ARG 111 Ca -0.13 -0.35 0.01 0.00 -0.47 0.00 0.00 55.73 54.80 2nx5 s ARG 111 Cb -0.01 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 2nx5 s ARG 111 CO 0.41 -0.37 -0.16 0.20 -1.08 0.00 0.00 175.30 174.29 2nx5 s GLY 112 N -2.56 1.48 -0.02 3.88 0.00 -1.26 -0.84 107.32 107.99 2nx5 s GLY 112 Ca 0.07 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 43.91 2nx5 s GLY 112 CO -0.06 -0.28 -0.14 0.30 0.00 0.00 0.00 173.10 172.91 2nx5 s HIS 113 N 0.25 2.69 -0.27 1.90 0.09 0.45 -4.85 115.29 115.54 2nx5 s HIS 113 Ca -0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 55.06 54.77 2nx5 s HIS 113 Cb -0.16 -1.59 0.16 0.00 -0.00 0.00 0.00 32.58 30.99 2nx5 s HIS 113 CO 0.06 0.22 0.46 0.34 -0.00 0.00 0.00 174.74 175.82 2nx5 s ASP 114 N -0.95 -0.35 -0.04 1.40 2.15 -1.26 -1.17 116.67 116.45 2nx5 s ASP 114 Ca 0.13 0.29 0.05 0.00 0.43 0.00 0.00 52.55 53.45 2nx5 s ASP 114 Cb -0.11 1.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.99 2nx5 s ASP 114 CO 0.02 -0.30 -0.20 -1.10 -0.17 0.00 0.00 175.17 173.42 2nx5 s GLN 115 N 2.66 1.98 0.00 4.34 -0.21 0.66 -1.27 119.66 127.81 2nx5 s GLN 115 Ca 0.14 -0.73 0.05 0.00 0.02 0.00 0.00 55.36 54.84 2nx5 s GLN 115 Cb -0.14 -1.75 -0.01 0.00 1.00 0.00 0.00 33.01 32.10 2nx5 s GLN 115 CO -0.21 0.34 -0.16 -1.12 -2.12 0.00 0.00 175.29 172.02 2nx5 s SER 116 N -0.16 1.89 0.03 5.90 0.01 0.22 -1.31 113.70 120.28 2nx5 s SER 116 Ca -0.01 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.94 2nx5 s SER 116 Cb -0.11 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 2nx5 s SER 116 CO 0.02 0.17 -0.07 0.00 0.41 0.00 0.00 173.24 173.76 2nx5 s ALA 117 N -0.48 0.54 -0.17 1.44 0.00 -0.31 -0.67 121.76 122.11 2nx5 s ALA 117 Ca 0.06 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2nx5 s ALA 117 Cb -0.07 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2nx5 s ALA 117 CO -0.00 -0.00 -0.19 -0.47 0.00 0.00 0.00 175.76 175.10 2nx5 s TYR 118 N -1.16 2.64 -1.51 0.00 5.04 -0.06 -1.26 117.35 121.04 2nx5 s TYR 118 Ca -0.08 -1.55 -0.05 0.00 -2.44 0.00 0.00 57.07 52.95 2nx5 s TYR 118 Cb -0.09 -1.85 0.02 0.00 0.35 0.00 0.00 41.96 40.39 2nx5 s TYR 118 CO 0.00 -0.78 0.48 -0.25 -1.34 0.00 0.00 175.55 173.67 2nx5 n ASP 119 N 4.65 -5.54 -0.03 4.32 8.00 -0.40 -2.33 116.55 125.22 2nx5 n ASP 119 Ca -0.20 -0.25 -0.00 0.00 0.71 0.00 0.00 54.79 55.05 2nx5 n ASP 119 Cb 0.50 -4.51 -0.00 0.00 -0.02 0.00 0.00 41.12 37.08 2nx5 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nx5 n GLY 120 N -1.36 0.41 3.06 0.44 0.00 -1.26 -5.03 105.19 101.44 2nx5 n GLY 120 Ca -0.11 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 2nx5 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nx5 s LYS 121 N -2.16 2.18 -0.38 1.61 1.02 -0.98 -5.09 119.74 115.92 2nx5 s LYS 121 Ca 0.00 -0.55 -0.45 0.00 0.02 0.00 0.00 55.97 54.98 2nx5 s LYS 121 Cb 0.00 -1.84 -0.20 0.00 -0.52 0.00 0.00 37.83 35.27 2nx5 s LYS 121 CO 0.00 -0.04 1.48 -0.25 -0.92 0.00 0.00 175.35 175.62 2nx5 n ASP 122 N 4.12 0.95 -0.00 2.83 8.00 -1.26 -0.89 116.55 130.30 2nx5 n ASP 122 Ca -0.19 1.18 -0.00 0.00 0.71 0.00 0.00 54.79 56.48 2nx5 n ASP 122 Cb 0.51 -0.89 -0.00 0.00 -0.02 0.00 0.00 41.12 40.72 2nx5 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nx5 n TYR 123 N 3.44 0.00 -3.86 1.24 9.36 0.16 -4.72 117.16 122.79 2nx5 n TYR 123 Ca 0.28 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.39 2nx5 n TYR 123 Cb -0.03 -0.03 -0.11 0.00 -0.63 0.00 0.00 39.34 38.54 2nx5 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2nx5 s ILE 124 N -1.13 0.05 -0.08 2.97 2.07 -0.77 -1.45 121.20 122.86 2nx5 s ILE 124 Ca -0.02 -0.38 -0.07 0.00 -1.41 0.00 0.00 60.65 58.77 2nx5 s ILE 124 Cb 0.00 -0.32 0.02 0.00 0.13 0.00 0.00 42.46 42.30 2nx5 s ILE 124 CO 0.02 -0.21 0.21 0.00 -1.91 0.00 0.00 174.94 173.06 2nx5 s ALA 125 N -0.69 -0.52 0.25 1.50 0.00 -0.97 -0.61 121.76 120.71 2nx5 s ALA 125 Ca -0.08 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 2nx5 s ALA 125 Cb -0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 2nx5 s ALA 125 CO 0.01 -0.11 1.16 -1.17 0.00 0.00 0.00 175.76 175.65 2nx5 s LEU 126 N 0.04 4.50 0.80 0.00 2.96 -0.40 -0.48 118.68 126.09 2nx5 s LEU 126 Ca -0.01 2.31 -0.11 0.00 -0.22 0.00 0.00 54.13 56.09 2nx5 s LEU 126 Cb -0.02 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 43.12 2nx5 s LEU 126 CO 0.00 -0.27 1.10 0.20 -1.32 0.00 0.00 176.35 176.06 2nx5 s ASN 127 N -0.46 4.48 0.29 3.68 0.01 -0.03 -4.68 114.94 118.23 2nx5 s ASN 127 Ca 0.48 1.33 -0.00 0.00 -0.71 0.00 0.00 52.86 53.96 2nx5 s ASN 127 Cb -0.33 -2.07 0.49 0.00 0.41 0.00 0.00 41.25 39.76 2nx5 s ASN 127 CO 0.41 -1.98 1.91 -0.08 -1.51 0.00 0.00 177.10 175.85 2nx5 h GLU 128 N -1.10 1.04 0.00 -0.60 4.81 -1.89 -0.98 114.58 115.87 2nx5 h GLU 128 Ca -0.47 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2nx5 h GLU 128 Cb 1.27 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2nx5 h GLU 128 CO 0.59 0.69 0.00 -0.40 -0.73 0.00 0.00 179.01 179.16 2nx5 n ASP 129 N -4.48 0.00 -2.68 1.04 5.68 -1.26 -4.87 116.55 109.98 2nx5 n ASP 129 Ca 0.13 -0.28 -0.17 0.00 -0.50 0.00 0.00 54.79 53.98 2nx5 n ASP 129 Cb 0.17 -0.13 -0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2nx5 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2nx5 n LEU 130 N -1.13 -1.53 0.00 -2.12 4.77 -0.37 -4.77 117.00 111.86 2nx5 n LEU 130 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2nx5 n LEU 130 Cb 0.09 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 2nx5 n LEU 130 CO 0.11 -0.04 -0.15 -1.20 -1.33 0.00 0.00 177.39 174.78 2nx5 n SER 131 N -2.02 1.48 -4.23 -1.43 7.64 -1.26 -4.57 113.62 109.24 2nx5 n SER 131 Ca -0.13 -0.08 -0.13 0.00 1.01 0.00 0.00 58.87 59.54 2nx5 n SER 131 Cb 0.61 0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 64.16 2nx5 n SER 131 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2nx5 s SER 132 N -0.75 1.40 0.09 6.43 1.04 -1.26 -4.87 113.70 115.79 2nx5 s SER 132 Ca 0.00 -1.08 0.09 0.00 0.48 0.00 0.00 55.95 55.44 2nx5 s SER 132 Cb 0.00 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2nx5 s SER 132 CO 0.00 -0.47 -0.21 0.26 0.98 0.00 0.00 173.24 173.80 2nx5 s TRP 133 N -3.54 2.46 -0.38 5.02 0.52 -1.26 -0.86 118.94 120.91 2nx5 s TRP 133 Ca 0.19 -0.31 -0.07 0.00 0.02 0.00 0.00 56.10 55.93 2nx5 s TRP 133 Cb 0.05 -1.35 0.06 0.00 -1.15 0.00 0.00 33.47 31.08 2nx5 s TRP 133 CO 0.01 0.31 0.17 0.99 0.02 0.00 0.00 176.95 178.45 2nx5 s THR 134 N -1.03 3.85 -0.07 2.01 2.01 0.36 -4.91 115.64 117.86 2nx5 s THR 134 Ca 0.15 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 60.64 2nx5 s THR 134 Cb -0.10 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2nx5 s THR 134 CO 0.07 -0.37 0.37 0.00 -0.69 0.00 0.00 174.62 174.00 2nx5 s ALA 135 N 1.37 3.65 -0.03 7.40 0.00 -1.26 -2.29 121.76 130.59 2nx5 s ALA 135 Ca 0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 2nx5 s ALA 135 Cb -0.21 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2nx5 s ALA 135 CO 0.01 0.32 0.40 0.00 0.00 0.00 0.00 175.76 176.49 2nx5 h ALA 136 N 5.55 -0.37 -3.55 0.00 0.00 -1.53 -3.47 119.26 115.89 2nx5 h ALA 136 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2nx5 h ALA 136 Cb 1.20 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2nx5 h ALA 136 CO 0.67 -0.35 0.00 -0.40 0.00 0.00 0.00 179.25 179.17 2nx5 n ASP 137 N -3.83 1.23 0.13 0.00 5.68 -1.26 -5.02 116.55 113.49 2nx5 n ASP 137 Ca -0.03 -0.55 -0.01 0.00 -0.50 0.00 0.00 54.79 53.70 2nx5 n ASP 137 Cb 0.10 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.20 2nx5 n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2nx5 h THR 138 N 0.34 1.37 -0.68 2.12 1.35 -2.00 -2.93 112.91 112.48 2nx5 h THR 138 Ca 0.00 -2.32 -0.08 0.00 -0.55 0.00 0.00 66.41 63.47 2nx5 h THR 138 Cb 0.00 2.28 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 2nx5 h THR 138 CO 0.00 0.64 0.13 0.00 -0.25 0.00 0.00 175.52 176.04 2nx5 h ALA 139 N 1.35 0.93 0.00 6.62 0.00 -1.96 -2.99 119.26 123.21 2nx5 h ALA 139 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2nx5 h ALA 139 Cb 1.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2nx5 h ALA 139 CO 0.08 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.92 2nx5 h ALA 140 N 1.08 0.97 0.00 0.00 0.00 -1.87 -2.88 119.26 116.56 2nx5 h ALA 140 Ca 0.21 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2nx5 h ALA 140 Cb 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2nx5 h ALA 140 CO 0.01 0.10 -0.22 1.96 0.00 0.00 0.00 179.25 181.10 2nx5 h GLN 141 N 0.00 0.00 -0.01 0.00 4.20 -1.37 0.13 115.11 118.05 2nx5 h GLN 141 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2nx5 h GLN 141 Cb 0.83 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 2nx5 h GLN 141 CO 0.01 0.22 -0.01 0.82 -0.67 0.00 0.00 178.83 179.20 2nx5 h ILE 142 N 0.00 1.39 -0.92 2.54 2.04 -1.42 -2.26 117.51 118.89 2nx5 h ILE 142 Ca -0.00 -1.18 0.12 0.00 1.00 0.00 0.00 64.86 64.80 2nx5 h ILE 142 Cb 0.98 2.17 -0.08 0.00 -0.74 0.00 0.00 36.82 39.15 2nx5 h ILE 142 CO 0.03 0.31 0.55 0.74 0.00 0.00 0.00 178.15 179.78 2nx5 h THR 143 N -0.46 0.88 0.03 -0.27 2.02 -1.40 -2.33 112.91 111.39 2nx5 h THR 143 Ca 0.00 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 2nx5 h THR 143 Cb 0.51 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2nx5 h THR 143 CO 0.00 0.16 -0.02 -0.61 0.37 0.00 0.00 175.52 175.43 2nx5 h GLN 144 N 0.86 -0.04 0.00 6.66 4.15 -0.67 -1.52 115.11 124.56 2nx5 h GLN 144 Ca 0.46 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.78 2nx5 h GLN 144 Cb 0.49 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2nx5 h GLN 144 CO -0.28 0.01 -0.50 0.07 -1.93 0.00 0.00 178.83 176.21 2nx5 h ARG 145 N -0.08 0.00 -0.44 1.69 0.11 -1.22 -0.62 114.38 113.82 2nx5 h ARG 145 Ca -0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 2nx5 h ARG 145 Cb 0.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 2nx5 h ARG 145 CO 0.01 0.50 -0.10 0.87 0.10 0.00 0.00 179.97 181.35 2nx5 h LYS 146 N 0.00 0.84 0.00 0.08 1.57 -1.36 -2.36 116.57 115.34 2nx5 h LYS 146 Ca -0.00 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 2nx5 h LYS 146 Cb 1.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2nx5 h LYS 146 CO 0.06 0.95 -0.33 -1.49 -0.57 0.00 0.00 179.45 178.07 2nx5 h TRP 147 N 0.67 0.00 0.00 -1.35 6.55 -0.90 -1.95 115.95 118.97 2nx5 h TRP 147 Ca 0.11 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 59.76 2nx5 h TRP 147 Cb 0.63 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.95 2nx5 h TRP 147 CO 0.05 0.33 -0.76 0.93 -1.05 0.00 0.00 178.44 177.94 2nx5 h GLU 148 N 0.00 0.51 0.00 0.49 5.08 -1.11 0.91 114.58 120.46 2nx5 h GLU 148 Ca -0.00 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 2nx5 h GLU 148 Cb 0.85 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2nx5 h GLU 148 CO 0.04 1.18 -0.09 0.00 -1.00 0.00 0.00 179.01 179.14 2nx5 h ALA 149 N 0.34 1.05 -0.02 3.43 0.00 -1.29 -2.01 119.26 120.77 2nx5 h ALA 149 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2nx5 h ALA 149 Cb 1.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2nx5 h ALA 149 CO 0.15 0.12 -0.23 0.00 0.00 0.00 0.00 179.25 179.29 2nx5 n ALA 150 N -2.17 3.01 -3.55 0.00 0.00 -0.74 -5.01 120.51 112.05 2nx5 n ALA 150 Ca -0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 53.44 52.61 2nx5 n ALA 150 Cb 0.32 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 18.89 2nx5 n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nx5 n ARG 151 N 0.32 -1.36 0.13 0.00 1.74 -0.76 -4.93 116.66 111.81 2nx5 n ARG 151 Ca 0.13 0.71 0.02 0.00 -0.77 0.00 0.00 57.85 57.93 2nx5 n ARG 151 Cb 0.47 -4.29 0.01 0.00 -1.02 0.00 0.00 32.46 27.63 2nx5 n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2nx5 h VAL 152 N -1.21 0.91 -0.74 1.55 2.07 -1.12 -3.31 116.25 114.41 2nx5 h VAL 152 Ca -0.55 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 64.66 2nx5 h VAL 152 Cb 1.30 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 33.48 2nx5 h VAL 152 CO 0.43 0.52 0.37 0.00 0.02 0.00 0.00 177.57 178.91 2nx5 h ALA 153 N 1.47 0.96 -0.55 1.67 0.00 -1.89 -2.52 119.26 118.39 2nx5 h ALA 153 Ca -0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2nx5 h ALA 153 Cb 1.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2nx5 h ALA 153 CO 0.07 0.51 -0.02 0.93 0.00 0.00 0.00 179.25 180.73 2nx5 h GLU 154 N 1.04 0.97 -0.88 0.00 3.07 -1.81 0.87 114.58 117.84 2nx5 h GLU 154 Ca 0.26 -0.30 0.07 0.00 -0.50 0.00 0.00 59.36 58.88 2nx5 h GLU 154 Cb 0.10 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 2nx5 h GLU 154 CO -0.03 0.97 0.54 0.37 -1.40 0.00 0.00 179.01 179.46 2nx5 h GLN 155 N 0.88 0.95 0.19 2.33 4.15 -1.57 0.30 115.11 122.34 2nx5 h GLN 155 Ca 0.16 -0.06 -0.28 0.00 0.77 0.00 0.00 58.65 59.24 2nx5 h GLN 155 Cb 0.55 -0.21 0.03 0.00 0.21 0.00 0.00 27.48 28.06 2nx5 h GLN 155 CO 0.03 0.63 -1.22 -0.07 -1.93 0.00 0.00 178.83 176.27 2nx5 h LEU 156 N 0.98 0.74 -1.84 -2.39 4.07 -1.28 -3.14 115.31 112.45 2nx5 h LEU 156 Ca 0.39 -0.91 -0.03 0.00 0.08 0.00 0.00 57.88 57.41 2nx5 h LEU 156 Cb 0.20 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 2nx5 h LEU 156 CO -0.18 1.59 -0.14 -0.09 -1.08 0.00 0.00 178.44 178.54 2nx5 h ARG 157 N 0.01 0.00 0.00 1.13 2.43 -0.48 0.40 114.38 117.87 2nx5 h ARG 157 Ca -0.21 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.86 2nx5 h ARG 157 Cb 1.95 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 2nx5 h ARG 157 CO 0.23 0.14 -0.48 0.00 -1.51 0.00 0.00 179.97 178.34 2nx5 h ALA 158 N 1.86 0.93 0.03 2.80 0.00 -0.48 -3.12 119.26 121.28 2nx5 h ALA 158 Ca -0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 54.91 54.12 2nx5 h ALA 158 Cb 0.36 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2nx5 h ALA 158 CO 0.02 0.60 -1.95 0.98 0.00 0.00 0.00 179.25 178.91 2nx5 n TYR 159 N -3.57 0.66 0.12 0.00 9.36 0.46 -2.85 117.16 121.34 2nx5 n TYR 159 Ca -0.00 0.22 -0.13 0.00 3.32 0.00 0.00 57.90 61.30 2nx5 n TYR 159 Cb 0.58 -1.07 -0.08 0.00 -0.63 0.00 0.00 39.34 38.13 2nx5 n TYR 159 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2nx5 h LEU 160 N -0.62 -0.26 -0.97 2.98 3.38 -0.52 0.41 115.31 119.72 2nx5 h LEU 160 Ca -0.50 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2nx5 h LEU 160 Cb 1.64 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2nx5 h LEU 160 CO -0.19 0.05 0.00 -0.33 0.09 0.00 0.00 178.44 178.06 2nx5 h GLU 161 N -0.58 0.00 0.00 1.13 5.08 -1.75 -3.32 114.58 115.14 2nx5 h GLU 161 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2nx5 h GLU 161 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2nx5 h GLU 161 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 2nx5 n GLY 162 N -0.30 0.76 0.33 -3.84 0.00 -0.99 -4.73 105.19 96.42 2nx5 n GLY 162 Ca 0.01 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 2nx5 n GLY 162 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nx5 h LEU 163 N 0.00 0.39 0.61 0.99 3.38 -1.48 -2.25 115.31 116.95 2nx5 h LEU 163 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2nx5 h LEU 163 Cb 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2nx5 h LEU 163 CO 0.00 0.25 -0.37 0.00 0.09 0.00 0.00 178.44 178.41 2nx5 h VAL 165 N -0.92 0.68 0.01 0.00 2.07 -1.56 -1.62 116.25 114.91 2nx5 h VAL 165 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 2nx5 h VAL 165 Cb 0.73 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2nx5 h VAL 165 CO 0.09 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 176.91 2nx5 h GLU 166 N -0.02 -0.57 -0.05 1.57 5.08 -1.47 -2.31 114.58 116.81 2nx5 h GLU 166 Ca 0.14 0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2nx5 h GLU 166 Cb 0.24 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2nx5 h GLU 166 CO -0.31 -0.38 -0.42 -1.49 -1.00 0.00 0.00 179.01 175.41 2nx5 h TRP 167 N -0.59 0.12 -0.56 4.33 4.06 -1.26 -2.57 115.95 119.48 2nx5 h TRP 167 Ca 0.04 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 2nx5 h TRP 167 Cb 0.66 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.78 2nx5 h TRP 167 CO -0.43 0.50 0.12 1.25 -3.56 0.00 0.00 178.44 176.33 2nx5 h LEU 168 N 0.09 0.85 -0.25 -4.49 5.85 -1.12 0.07 115.31 116.31 2nx5 h LEU 168 Ca 0.01 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2nx5 h LEU 168 Cb 0.77 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 2nx5 h LEU 168 CO 0.06 0.87 -0.16 0.03 -0.34 0.00 0.00 178.44 178.90 2nx5 h ARG 169 N 0.79 -0.14 -0.92 1.25 2.47 -1.15 0.12 114.38 116.81 2nx5 h ARG 169 Ca 0.17 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.94 2nx5 h ARG 169 Cb 0.36 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.65 2nx5 h ARG 169 CO 0.00 -0.09 0.59 -0.09 0.56 0.00 0.00 179.97 180.95 2nx5 h ARG 170 N -0.14 1.10 -0.20 0.04 2.43 -1.05 -0.23 114.38 116.33 2nx5 h ARG 170 Ca 0.14 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.04 2nx5 h ARG 170 Cb 0.35 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2nx5 h ARG 170 CO -0.34 0.73 -0.66 1.88 -1.51 0.00 0.00 179.97 180.07 2nx5 h TYR 171 N 1.14 0.99 0.00 2.20 0.05 -0.61 -1.32 116.97 119.43 2nx5 h TYR 171 Ca 0.37 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2nx5 h TYR 171 Cb 0.04 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.61 2nx5 h TYR 171 CO -0.01 1.21 0.00 -0.07 -1.05 0.00 0.00 178.16 178.24 2nx5 h LEU 172 N 0.55 0.00 0.04 3.88 3.38 0.00 -1.83 115.31 121.34 2nx5 h LEU 172 Ca -0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 2nx5 h LEU 172 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2nx5 h LEU 172 CO 0.14 0.00 -1.27 -0.08 0.09 0.00 0.00 178.44 177.32 2nx5 h GLU 173 N 0.00 0.09 0.14 1.13 4.57 -0.95 -3.25 114.58 116.31 2nx5 h GLU 173 Ca 0.00 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.05 2nx5 h GLU 173 Cb 0.29 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2nx5 h GLU 173 CO 0.00 1.07 -0.27 -0.91 -1.18 0.00 0.00 179.01 177.72 2nx5 h ASN 174 N -0.71 -0.77 -1.41 1.04 4.21 -1.08 -3.05 115.58 113.81 2nx5 h ASN 174 Ca -0.32 0.09 -0.70 0.00 1.21 0.00 0.00 56.30 56.58 2nx5 h ASN 174 Cb 1.47 0.29 -0.30 0.00 -1.12 0.00 0.00 38.32 38.66 2nx5 h ASN 174 CO -0.09 -0.37 0.75 0.61 -1.29 0.00 0.00 177.43 177.04 2nx5 n GLY 175 N -1.39 5.78 0.35 2.83 0.00 -0.70 -4.75 105.19 107.30 2nx5 n GLY 175 Ca -0.07 -2.43 0.17 0.00 0.00 0.00 0.00 46.02 43.69 2nx5 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2nx5 h LYS 176 N 2.44 0.00 0.00 1.61 2.10 -1.57 -2.33 116.57 118.83 2nx5 h LYS 176 Ca 0.56 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 59.01 2nx5 h LYS 176 Cb 0.55 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.86 2nx5 h LYS 176 CO 1.44 0.00 -0.93 0.93 -2.00 0.00 0.00 179.45 178.89 2nx5 h GLU 177 N 0.00 0.00 0.00 0.07 5.08 -1.88 -2.66 114.58 115.19 2nx5 h GLU 177 Ca 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2nx5 h GLU 177 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2nx5 h GLU 177 CO -0.00 0.93 -1.43 0.25 -1.00 0.00 0.00 179.01 177.75 2nx5 n THR 178 N -3.43 0.00 -0.04 1.13 -2.24 -1.10 -4.20 114.28 104.40 2nx5 n THR 178 Ca -0.00 -0.30 -0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2nx5 n THR 178 Cb 0.88 0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 2nx5 n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2nx5 n LEU 179 N -1.85 0.00 -0.05 3.22 4.77 -0.90 -4.67 117.00 117.53 2nx5 n LEU 179 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 2nx5 n LEU 179 Cb 0.37 0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 2nx5 n LEU 179 CO 0.33 0.17 -0.84 1.67 -1.33 0.00 0.00 177.39 177.40 2nx5 n GLN 180 N -2.25 0.69 -2.40 3.23 -0.06 -1.00 -4.86 117.38 110.72 2nx5 n GLN 180 Ca -0.13 0.33 -0.41 0.00 -2.00 0.00 0.00 57.00 54.80 2nx5 n GLN 180 Cb 0.67 -1.69 -0.04 0.00 -4.06 0.00 0.00 30.24 25.12 2nx5 n GLN 180 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 2nx5 s ARG 181 N -2.50 4.57 -0.13 3.69 3.00 -1.24 -5.04 118.95 121.29 2nx5 s ARG 181 Ca -0.26 1.88 -0.04 0.00 -1.00 0.00 0.00 55.73 56.31 2nx5 s ARG 181 Cb 0.07 -3.18 -0.03 0.00 0.00 0.00 0.00 34.95 31.81 2nx5 s ARG 181 CO 0.69 0.09 -0.00 0.00 0.00 0.00 0.00 175.30 176.08 2nx5 s ALA 182 N -0.94 3.19 -0.16 6.12 0.00 -1.26 -4.79 121.76 123.92 2nx5 s ALA 182 Ca 0.47 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 2nx5 s ALA 182 Cb -0.33 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2nx5 s ALA 182 CO 0.42 0.35 1.22 -0.51 0.00 0.00 0.00 175.76 177.23 2nx5 s ASP 183 N -0.10 6.99 0.33 0.00 1.11 -1.15 -4.67 116.67 119.18 2nx5 s ASP 183 Ca 0.04 1.66 -0.28 0.00 0.18 0.00 0.00 52.55 54.15 2nx5 s ASP 183 Cb -0.13 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.23 2nx5 s ASP 183 CO 0.02 -0.72 1.20 -2.84 1.18 0.00 0.00 175.17 174.01 2nx5 s PRO 184 N 3.25 4.38 0.00 8.23 0.02 -1.26 -3.46 135.00 146.16 2nx5 s PRO 184 Ca 0.53 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 63.22 2nx5 s PRO 184 Cb -0.21 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 2nx5 s PRO 184 CO 0.14 -0.08 1.20 -2.14 -0.33 0.00 0.00 177.00 175.79 2nx5 s PRO 185 N -1.81 4.39 -0.57 5.54 0.02 -1.26 -4.57 135.00 136.74 2nx5 s PRO 185 Ca 0.49 1.72 -0.27 0.00 0.02 0.00 0.00 61.00 62.96 2nx5 s PRO 185 Cb -0.35 -3.46 0.03 0.00 0.02 0.00 0.00 34.50 30.75 2nx5 s PRO 185 CO 0.45 -0.35 1.14 0.15 -0.33 0.00 0.00 177.00 178.06 2nx5 s LYS 186 N 1.65 3.48 -0.11 5.54 1.02 -1.10 -4.94 119.74 125.28 2nx5 s LYS 186 Ca 0.57 0.15 -0.02 0.00 0.02 0.00 0.00 55.97 56.70 2nx5 s LYS 186 Cb -0.27 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 32.99 2nx5 s LYS 186 CO 0.26 -1.64 -0.05 0.95 -0.92 0.00 0.00 175.35 173.96 2nx5 s THR 187 N 4.74 3.86 -0.25 2.17 -4.23 -1.26 -3.66 115.64 117.00 2nx5 s THR 187 Ca 0.40 -0.40 -0.21 0.00 -1.18 0.00 0.00 61.69 60.31 2nx5 s THR 187 Cb -0.08 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.19 2nx5 s THR 187 CO 0.24 0.55 0.66 -1.38 -0.54 0.00 0.00 174.62 174.15 2nx5 s HIS 188 N -0.29 -0.80 -0.16 3.99 -3.43 -1.23 -5.06 115.29 108.31 2nx5 s HIS 188 Ca 0.05 1.84 -0.11 0.00 -0.80 0.00 0.00 55.06 56.04 2nx5 s HIS 188 Cb -0.13 0.34 -0.05 0.00 -1.43 0.00 0.00 32.58 31.32 2nx5 s HIS 188 CO 0.02 -0.39 0.21 0.08 -2.00 0.00 0.00 174.74 172.66 2nx5 s VAL 189 N 0.69 5.37 0.11 -5.38 1.01 -1.26 -3.15 120.40 117.79 2nx5 s VAL 189 Ca -0.03 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2nx5 s VAL 189 Cb -0.05 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2nx5 s VAL 189 CO -0.04 0.47 0.04 0.42 0.00 0.00 0.00 175.10 175.99 2nx5 s THR 190 N -0.00 4.16 -0.10 3.92 -4.23 -1.08 -4.67 115.64 113.64 2nx5 s THR 190 Ca 0.13 -1.02 -0.20 0.00 -1.18 0.00 0.00 61.69 59.42 2nx5 s THR 190 Cb -0.12 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 2nx5 s THR 190 CO 0.02 0.05 0.55 -2.28 -0.54 0.00 0.00 174.62 172.43 2nx5 s HIS 191 N -1.46 3.54 -0.41 3.99 2.46 -1.26 -3.80 115.29 118.34 2nx5 s HIS 191 Ca 0.28 1.02 0.04 0.00 0.47 0.00 0.00 55.06 56.87 2nx5 s HIS 191 Cb -0.11 -2.64 0.17 0.00 -0.13 0.00 0.00 32.58 29.87 2nx5 s HIS 191 CO 0.20 0.15 0.39 -1.58 -2.47 0.00 0.00 174.74 171.44 2nx5 s HIS 192 N 0.63 0.39 -0.01 3.88 5.04 -1.24 -5.05 115.29 118.94 2nx5 s HIS 192 Ca 0.30 -1.74 -0.30 0.00 -1.54 0.00 0.00 55.06 51.78 2nx5 s HIS 192 Cb -0.16 -0.64 -0.05 0.00 0.04 0.00 0.00 32.58 31.77 2nx5 s HIS 192 CO 0.13 -0.92 1.33 -2.14 -2.34 0.00 0.00 174.74 170.80 2nx5 s PRO 193 N 0.52 4.31 -0.14 2.88 0.02 -1.26 -2.71 135.00 138.62 2nx5 s PRO 193 Ca 0.28 1.87 -0.00 0.00 0.02 0.00 0.00 61.00 63.17 2nx5 s PRO 193 Cb -0.03 -3.54 -0.09 0.00 0.02 0.00 0.00 34.50 30.87 2nx5 s PRO 193 CO -0.12 -0.51 -0.14 1.33 -0.33 0.00 0.00 177.00 177.23 2nx5 n VAL 194 N 4.56 0.82 -4.09 3.83 0.24 -1.26 -4.95 118.33 117.49 2nx5 n VAL 194 Ca 0.12 -0.30 -0.10 0.00 -2.04 0.00 0.00 64.34 62.02 2nx5 n VAL 194 Cb 0.44 -1.12 -0.11 0.00 -1.47 0.00 0.00 33.84 31.59 2nx5 n VAL 194 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2nx5 s SER 195 N -5.55 0.78 0.00 -1.34 0.15 -0.31 -5.01 113.70 102.43 2nx5 s SER 195 Ca -0.20 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2nx5 s SER 195 Cb 0.05 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2nx5 s SER 195 CO 0.32 -0.38 0.82 -0.90 1.20 0.00 0.00 173.24 174.30 2nx5 n ASP 196 N 0.76 0.17 0.00 5.45 3.85 -1.26 -3.28 116.55 122.23 2nx5 n ASP 196 Ca -0.18 -1.81 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 2nx5 n ASP 196 Cb 0.58 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 2nx5 n ASP 196 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 2nx5 n HIS 197 N -0.40 0.00 -4.06 2.11 8.25 -1.26 -5.06 115.22 114.80 2nx5 n HIS 197 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2nx5 n HIS 197 Cb 0.04 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.04 2nx5 n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nx5 s GLU 198 N -1.71 0.52 0.38 -0.41 2.02 -1.20 -3.76 118.70 114.53 2nx5 s GLU 198 Ca 0.00 -0.78 0.08 0.00 0.02 0.00 0.00 54.97 54.29 2nx5 s GLU 198 Cb 0.00 -0.23 -0.04 0.00 0.10 0.00 0.00 34.13 33.96 2nx5 s GLU 198 CO 0.00 0.03 0.21 0.00 0.02 0.00 0.00 175.26 175.52 2nx5 s ALA 199 N -1.56 3.66 -0.10 5.21 0.00 0.29 -1.16 121.76 128.11 2nx5 s ALA 199 Ca -0.09 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 49.93 2nx5 s ALA 199 Cb -0.09 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2nx5 s ALA 199 CO -0.00 -0.09 -0.08 0.99 0.00 0.00 0.00 175.76 176.57 2nx5 s THR 200 N -2.49 1.01 -0.25 0.00 2.01 -1.10 -1.51 115.64 113.31 2nx5 s THR 200 Ca 0.41 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 2nx5 s THR 200 Cb -0.00 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 2nx5 s THR 200 CO 0.24 0.36 0.16 -0.76 -0.69 0.00 0.00 174.62 173.93 2nx5 s LEU 201 N 1.51 4.07 -0.30 4.42 1.43 -0.89 -3.62 118.68 125.30 2nx5 s LEU 201 Ca 0.01 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2nx5 s LEU 201 Cb -0.13 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 44.04 2nx5 s LEU 201 CO -0.06 0.04 -0.01 -0.60 0.23 0.00 0.00 176.35 175.96 2nx5 s ARG 202 N 1.20 2.39 -0.15 1.70 3.52 -1.25 -2.18 118.95 124.20 2nx5 s ARG 202 Ca 0.07 -1.29 -0.25 0.00 -0.13 0.00 0.00 55.73 54.13 2nx5 s ARG 202 Cb -0.14 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2nx5 s ARG 202 CO 0.06 -0.63 0.82 0.00 -0.81 0.00 0.00 175.30 174.74 2nx5 s TRP 204 N 1.90 3.12 -0.21 0.00 0.52 -1.19 -2.49 118.94 120.59 2nx5 s TRP 204 Ca 0.39 0.09 -0.07 0.00 0.02 0.00 0.00 56.10 56.52 2nx5 s TRP 204 Cb -0.17 -1.66 0.10 0.00 -1.15 0.00 0.00 33.47 30.59 2nx5 s TRP 204 CO 0.14 0.49 0.45 0.00 0.02 0.00 0.00 176.95 178.04 2nx5 s ALA 205 N -1.17 -1.26 0.05 0.98 0.00 -0.51 -3.52 121.76 116.32 2nx5 s ALA 205 Ca 0.22 1.60 -0.10 0.00 0.00 0.00 0.00 51.96 53.68 2nx5 s ALA 205 Cb -0.12 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.63 2nx5 s ALA 205 CO 0.13 -0.77 0.22 -0.48 0.00 0.00 0.00 175.76 174.86 2nx5 s LEU 206 N 2.64 1.27 -0.08 0.00 2.34 -1.24 -0.25 118.68 123.36 2nx5 s LEU 206 Ca -0.02 -0.38 -0.00 0.00 0.06 0.00 0.00 54.13 53.79 2nx5 s LEU 206 Cb -0.12 1.06 0.00 0.00 -0.56 0.00 0.00 46.19 46.57 2nx5 s LEU 206 CO -0.13 -0.60 0.06 0.61 -1.06 0.00 0.00 176.35 175.23 2nx5 n GLY 207 N 0.53 0.65 3.28 -3.48 0.00 -0.51 -2.70 105.19 102.96 2nx5 n GLY 207 Ca -0.18 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 2nx5 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nx5 s PHE 208 N -3.02 1.69 -0.03 1.61 -0.71 -1.13 -4.53 117.98 111.85 2nx5 s PHE 208 Ca 0.02 -0.45 -0.01 0.00 -1.04 0.00 0.00 56.93 55.45 2nx5 s PHE 208 Cb -0.01 -0.90 0.02 0.00 -1.21 0.00 0.00 43.02 40.92 2nx5 s PHE 208 CO 0.04 0.21 0.07 -0.47 -1.34 0.00 0.00 175.22 173.73 2nx5 s TYR 209 N -1.46 -0.06 0.00 3.49 6.14 -1.22 -0.50 117.35 123.74 2nx5 s TYR 209 Ca 0.08 0.23 0.00 0.00 0.64 0.00 0.00 57.07 58.02 2nx5 s TYR 209 Cb -0.09 -0.10 0.00 0.00 0.42 0.00 0.00 41.96 42.20 2nx5 s TYR 209 CO 0.04 -0.09 0.00 -0.35 0.64 0.00 0.00 175.55 175.80 2nx5 n PRO 210 N 3.76 -0.00 0.00 4.97 -0.04 -1.26 -2.91 135.00 139.52 2nx5 n PRO 210 Ca -0.22 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.35 2nx5 n PRO 210 Cb 0.54 0.00 0.52 0.00 -0.04 0.00 0.00 33.50 34.52 2nx5 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nx5 n ALA 211 N -3.00 2.07 -2.51 0.55 0.00 -1.26 -4.76 120.51 111.60 2nx5 n ALA 211 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 2nx5 n ALA 211 Cb 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 2nx5 n ALA 211 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2nx5 s GLU 212 N -2.71 4.15 -0.03 0.00 2.56 -1.26 -4.98 118.70 116.44 2nx5 s GLU 212 Ca 0.17 1.42 -0.29 0.00 0.00 0.00 0.00 54.97 56.27 2nx5 s GLU 212 Cb 0.14 -3.75 0.09 0.00 2.00 0.00 0.00 34.13 32.61 2nx5 s GLU 212 CO 0.35 -0.80 0.75 -1.50 -0.56 0.00 0.00 175.26 173.50 2nx5 s ILE 213 N 3.62 0.00 -0.06 -3.70 2.07 -1.26 -4.59 121.20 117.28 2nx5 s ILE 213 Ca 0.51 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 2nx5 s ILE 213 Cb -0.18 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.44 2nx5 s ILE 213 CO 0.14 0.00 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.24 2nx5 s THR 214 N -1.88 0.61 -0.20 4.00 2.01 -1.10 -5.03 115.64 114.04 2nx5 s THR 214 Ca -0.05 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 2nx5 s THR 214 Cb -0.00 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 2nx5 s THR 214 CO 0.02 0.27 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.39 2nx5 s LEU 215 N 1.35 2.88 0.13 4.42 1.43 -1.26 -2.64 118.68 124.98 2nx5 s LEU 215 Ca -0.04 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2nx5 s LEU 215 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2nx5 s LEU 215 CO -0.03 0.03 -0.20 0.42 0.23 0.00 0.00 176.35 176.80 2nx5 s THR 216 N 1.19 1.82 -0.15 5.49 -4.23 -1.05 -4.94 115.64 113.76 2nx5 s THR 216 Ca 0.02 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.83 2nx5 s THR 216 Cb -0.14 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 71.98 2nx5 s THR 216 CO -0.02 -0.14 -0.18 0.26 -0.54 0.00 0.00 174.62 174.00 2nx5 s TRP 217 N -1.50 2.74 -0.16 3.99 0.52 -1.26 -1.35 118.94 121.93 2nx5 s TRP 217 Ca 0.11 -1.18 -0.06 0.00 0.02 0.00 0.00 56.10 54.99 2nx5 s TRP 217 Cb -0.08 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 2nx5 s TRP 217 CO 0.05 -0.54 0.03 -0.65 0.02 0.00 0.00 176.95 175.86 2nx5 s GLN 218 N 0.85 3.74 -1.21 4.98 -0.21 -0.25 -0.20 119.66 127.37 2nx5 s GLN 218 Ca -0.05 -0.38 -0.15 0.00 0.02 0.00 0.00 55.36 54.80 2nx5 s GLN 218 Cb -0.15 -3.08 0.15 0.00 1.00 0.00 0.00 33.01 30.92 2nx5 s GLN 218 CO -0.01 0.35 1.47 0.50 -2.12 0.00 0.00 175.29 175.48 2nx5 s ARG 219 N 0.11 4.04 -0.98 2.91 3.52 0.18 -2.44 118.95 126.30 2nx5 s ARG 219 Ca 0.03 -2.42 -0.10 0.00 -0.13 0.00 0.00 55.73 53.11 2nx5 s ARG 219 Cb -0.13 -5.14 -0.02 0.00 -1.56 0.00 0.00 34.95 28.11 2nx5 s ARG 219 CO 0.01 -1.85 0.77 -0.25 -0.81 0.00 0.00 175.30 173.17 2nx5 n ASP 220 N 6.19 -6.18 0.00 -2.12 8.00 -1.21 -3.70 116.55 117.54 2nx5 n ASP 220 Ca 0.38 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 55.17 2nx5 n ASP 220 Cb 0.44 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 2nx5 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nx5 n GLY 221 N -1.61 2.56 3.77 0.44 0.00 -1.26 -5.03 105.19 104.06 2nx5 n GLY 221 Ca -0.09 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 2nx5 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nx5 s GLU 222 N 0.00 4.26 0.28 1.61 2.12 -1.24 -4.91 118.70 120.82 2nx5 s GLU 222 Ca 0.00 0.66 -0.29 0.00 0.36 0.00 0.00 54.97 55.69 2nx5 s GLU 222 Cb 0.00 -3.33 -0.09 0.00 0.26 0.00 0.00 34.13 30.97 2nx5 s GLU 222 CO 0.00 0.41 1.07 -0.51 -0.54 0.00 0.00 175.26 175.69 2nx5 s ASP 223 N -0.28 7.30 -1.31 -1.70 1.01 -1.26 0.47 116.67 120.90 2nx5 s ASP 223 Ca 0.29 2.21 -0.09 0.00 0.71 0.00 0.00 52.55 55.67 2nx5 s ASP 223 Cb -0.18 -2.62 0.14 0.00 1.01 0.00 0.00 42.92 41.27 2nx5 s ASP 223 CO 0.16 -0.11 2.01 0.00 0.21 0.00 0.00 175.17 177.44 2nx5 n GLN 224 N 1.17 3.71 -1.26 8.23 6.02 0.72 -4.79 117.38 131.18 2nx5 n GLN 224 Ca -0.01 -3.41 -0.37 0.00 -0.01 0.00 0.00 57.00 53.21 2nx5 n GLN 224 Cb 0.45 -2.91 -0.03 0.00 1.02 0.00 0.00 30.24 28.78 2nx5 n GLN 224 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2nx5 n THR 225 N 3.23 3.99 0.16 5.09 -1.04 -1.26 -3.50 114.28 120.95 2nx5 n THR 225 Ca 0.45 -2.45 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 2nx5 n THR 225 Cb 0.34 -2.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.30 2nx5 n THR 225 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2nx5 n GLN 226 N 3.88 0.00 0.00 -2.82 -0.06 -1.26 -4.92 117.38 112.20 2nx5 n GLN 226 Ca 0.72 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.74 2nx5 n GLN 226 Cb 0.23 0.00 0.13 0.00 -4.06 0.00 0.00 30.24 26.54 2nx5 n GLN 226 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2nx5 n ASP 227 N -3.19 0.00 -4.51 1.69 9.92 -1.23 -4.59 116.55 114.64 2nx5 n ASP 227 Ca 0.00 -0.12 -0.43 0.00 -0.53 0.00 0.00 54.79 53.70 2nx5 n ASP 227 Cb 0.00 -0.01 -0.07 0.00 -0.64 0.00 0.00 41.12 40.40 2nx5 n ASP 227 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2nx5 s THR 228 N -2.03 4.81 -0.66 -3.53 -4.23 -1.24 -3.54 115.64 105.22 2nx5 s THR 228 Ca 0.07 0.04 -0.27 0.00 -1.18 0.00 0.00 61.69 60.35 2nx5 s THR 228 Cb 0.03 -4.23 0.02 0.00 1.34 0.00 0.00 72.50 69.65 2nx5 s THR 228 CO 0.05 -0.65 1.43 -0.70 -0.54 0.00 0.00 174.62 174.21 2nx5 s GLU 229 N 2.85 3.11 -0.15 3.99 2.12 0.72 -4.87 118.70 126.47 2nx5 s GLU 229 Ca 0.22 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.66 2nx5 s GLU 229 Cb -0.15 -4.20 -0.02 0.00 0.26 0.00 0.00 34.13 30.02 2nx5 s GLU 229 CO 0.18 -2.20 -0.09 -1.17 -0.54 0.00 0.00 175.26 171.43 2nx5 s LEU 230 N 6.48 2.87 0.35 2.70 2.96 -1.26 0.17 118.68 132.95 2nx5 s LEU 230 Ca 0.46 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 2nx5 s LEU 230 Cb -0.10 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2nx5 s LEU 230 CO 0.19 0.14 0.50 0.68 -1.32 0.00 0.00 176.35 176.54 2nx5 s VAL 231 N 0.52 4.28 0.23 1.68 -7.23 -1.14 -5.06 120.40 113.68 2nx5 s VAL 231 Ca -0.07 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 2nx5 s VAL 231 Cb -0.15 -3.51 -0.09 0.00 0.56 0.00 0.00 36.38 33.19 2nx5 s VAL 231 CO 0.04 -0.24 0.97 -0.70 -0.31 0.00 0.00 175.10 174.86 2nx5 s GLU 232 N -4.24 4.80 0.17 4.82 2.12 -1.26 -4.76 118.70 120.36 2nx5 s GLU 232 Ca 0.44 1.55 -0.32 0.00 0.36 0.00 0.00 54.97 57.00 2nx5 s GLU 232 Cb -0.10 -3.27 -0.11 0.00 0.26 0.00 0.00 34.13 30.91 2nx5 s GLU 232 CO 0.32 0.42 1.77 0.99 -0.54 0.00 0.00 175.26 178.23 2nx5 s THR 233 N -1.03 2.22 0.04 -1.70 2.01 -1.26 -4.89 115.64 111.03 2nx5 s THR 233 Ca 0.42 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.52 2nx5 s THR 233 Cb -0.27 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 2nx5 s THR 233 CO 0.33 0.00 -0.19 0.00 -0.69 0.00 0.00 174.62 174.08 2nx5 s ARG 234 N 1.81 2.05 0.17 4.92 1.70 -0.61 -4.94 118.95 124.05 2nx5 s ARG 234 Ca 0.77 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 54.75 2nx5 s ARG 234 Cb -0.48 -2.17 -0.08 0.00 -0.57 0.00 0.00 34.95 31.65 2nx5 s ARG 234 CO 0.34 0.54 1.22 -1.25 -1.08 0.00 0.00 175.30 175.07 2nx5 s PRO 235 N -1.40 4.46 0.27 3.89 0.04 -1.26 -0.05 135.00 140.95 2nx5 s PRO 235 Ca 0.14 1.90 0.11 0.00 0.04 0.00 0.00 61.00 63.19 2nx5 s PRO 235 Cb -0.10 -3.25 0.34 0.00 0.04 0.00 0.00 34.50 31.52 2nx5 s PRO 235 CO 0.05 -0.15 1.60 0.00 0.04 0.00 0.00 177.00 178.53 2nx5 h ALA 236 N 5.52 0.93 0.00 8.56 0.00 -0.90 -3.47 119.26 129.91 2nx5 h ALA 236 Ca -0.44 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2nx5 h ALA 236 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2nx5 h ALA 236 CO 0.76 0.78 0.00 0.41 0.00 0.00 0.00 179.25 181.21 2nx5 n GLY 237 N 0.33 1.15 2.31 0.00 0.00 -1.26 -4.99 105.19 102.73 2nx5 n GLY 237 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2nx5 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nx5 n ASP 238 N 0.00 4.06 0.00 1.61 5.75 -1.26 -4.92 116.55 121.78 2nx5 n ASP 238 Ca 0.00 -3.38 0.00 0.00 -0.01 0.00 0.00 54.79 51.40 2nx5 n ASP 238 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 2nx5 n ASP 238 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2nx5 n ARG 239 N -0.59 -0.51 -4.45 0.11 0.63 -1.26 -5.00 116.66 105.59 2nx5 n ARG 239 Ca 0.34 0.13 -0.24 0.00 -0.92 0.00 0.00 57.85 57.16 2nx5 n ARG 239 Cb 0.86 -3.58 -0.10 0.00 0.45 0.00 0.00 32.46 30.09 2nx5 n ARG 239 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2nx5 s THR 240 N -2.02 2.60 0.30 5.15 -4.23 -1.26 -4.75 115.64 111.42 2nx5 s THR 240 Ca 0.00 -2.32 0.08 0.00 -1.18 0.00 0.00 61.69 58.27 2nx5 s THR 240 Cb 0.00 -2.41 -0.06 0.00 1.34 0.00 0.00 72.50 71.38 2nx5 s THR 240 CO 0.00 -0.38 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.25 2nx5 s PHE 241 N -2.49 2.14 0.05 3.99 0.40 0.34 -0.21 117.98 122.19 2nx5 s PHE 241 Ca 0.30 -0.59 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 2nx5 s PHE 241 Cb -0.05 -1.19 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 2nx5 s PHE 241 CO 0.16 0.44 -0.07 -0.65 0.70 0.00 0.00 175.22 175.79 2nx5 s GLN 242 N -3.66 0.55 -0.07 0.44 -0.21 0.93 -1.42 119.66 116.22 2nx5 s GLN 242 Ca 0.30 -0.84 -0.31 0.00 0.02 0.00 0.00 55.36 54.54 2nx5 s GLN 242 Cb 0.02 -0.24 0.08 0.00 1.00 0.00 0.00 33.01 33.88 2nx5 s GLN 242 CO 0.14 0.03 0.74 0.21 -2.12 0.00 0.00 175.29 174.29 2nx5 s LYS 243 N -1.93 0.97 -0.15 2.91 2.20 0.65 -1.58 119.74 122.81 2nx5 s LYS 243 Ca -0.07 0.24 -0.17 0.00 -0.36 0.00 0.00 55.97 55.60 2nx5 s LYS 243 Cb -0.08 0.46 0.04 0.00 -1.51 0.00 0.00 37.83 36.75 2nx5 s LYS 243 CO -0.01 -0.30 0.46 1.67 -0.36 0.00 0.00 175.35 176.82 2nx5 s TRP 244 N -1.18 -0.49 -0.07 4.03 1.48 -1.26 -1.42 118.94 120.03 2nx5 s TRP 244 Ca -0.09 1.14 0.05 0.00 -1.06 0.00 0.00 56.10 56.14 2nx5 s TRP 244 Cb -0.00 0.18 -0.01 0.00 -1.16 0.00 0.00 33.47 32.48 2nx5 s TRP 244 CO 0.08 -0.29 -0.23 0.00 -4.06 0.00 0.00 176.95 172.45 2nx5 s ALA 245 N -0.02 2.23 -0.04 2.67 0.00 -1.04 -2.90 121.76 122.67 2nx5 s ALA 245 Ca -0.02 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2nx5 s ALA 245 Cb -0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2nx5 s ALA 245 CO 0.02 0.39 -0.25 0.00 0.00 0.00 0.00 175.76 175.92 2nx5 s ALA 246 N -0.08 2.11 -0.04 0.00 0.00 0.13 -1.47 121.76 122.41 2nx5 s ALA 246 Ca -0.06 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2nx5 s ALA 246 Cb -0.14 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.38 2nx5 s ALA 246 CO 0.04 0.45 -0.07 0.54 0.00 0.00 0.00 175.76 176.72 2nx5 s VAL 247 N -0.33 0.69 -0.57 0.00 0.11 -0.92 0.26 120.40 119.63 2nx5 s VAL 247 Ca 0.02 -0.26 -0.24 0.00 -2.93 0.00 0.00 61.98 58.56 2nx5 s VAL 247 Cb -0.12 -0.66 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2nx5 s VAL 247 CO 0.02 0.24 0.96 -0.69 -3.33 0.00 0.00 175.10 172.30 2nx5 s VAL 248 N 0.54 4.35 0.04 2.04 1.01 -1.23 -2.09 120.40 125.06 2nx5 s VAL 248 Ca -0.08 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2nx5 s VAL 248 Cb -0.12 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 2nx5 s VAL 248 CO 0.01 -1.18 -0.15 0.68 0.00 0.00 0.00 175.10 174.45 2nx5 s VAL 249 N 4.04 3.00 0.62 2.92 -7.23 -0.57 -4.94 120.40 118.25 2nx5 s VAL 249 Ca 0.30 -1.14 -0.19 0.00 -1.81 0.00 0.00 61.98 59.14 2nx5 s VAL 249 Cb -0.13 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 2nx5 s VAL 249 CO 0.18 0.31 1.30 -2.84 -0.31 0.00 0.00 175.10 173.75 2nx5 s PRO 250 N -1.55 2.70 0.26 4.82 0.02 -1.26 -0.55 135.00 139.44 2nx5 s PRO 250 Ca 0.16 2.09 -0.30 0.00 0.02 0.00 0.00 61.00 62.97 2nx5 s PRO 250 Cb -0.11 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 2nx5 s PRO 250 CO 0.07 -1.49 1.47 0.45 -0.33 0.00 0.00 177.00 177.16 2nx5 s SER 251 N -1.31 6.60 0.00 2.53 0.15 -1.25 -2.97 113.70 117.45 2nx5 s SER 251 Ca 0.80 2.73 0.00 0.00 0.70 0.00 0.00 55.95 60.18 2nx5 s SER 251 Cb -0.38 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 2nx5 s SER 251 CO 0.41 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2nx5 n GLY 252 N 2.14 2.64 3.19 9.45 0.00 -1.26 -4.91 105.19 116.44 2nx5 n GLY 252 Ca 0.07 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2nx5 n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nx5 n GLU 253 N 0.00 3.03 -0.01 1.61 1.02 -1.16 -4.45 120.64 120.68 2nx5 n GLU 253 Ca 0.00 -2.97 0.03 0.00 -0.02 0.00 0.00 57.16 54.21 2nx5 n GLU 253 Cb 0.00 -3.40 -0.07 0.00 -0.02 0.00 0.00 31.44 27.95 2nx5 n GLU 253 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2nx5 n GLU 254 N 7.35 0.60 0.00 3.49 1.02 -1.26 -4.52 120.64 127.31 2nx5 n GLU 254 Ca 0.50 -0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.70 2nx5 n GLU 254 Cb 0.43 -1.22 0.40 0.00 -0.02 0.00 0.00 31.44 31.03 2nx5 n GLU 254 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2nx5 n GLN 255 N -1.89 0.94 -0.09 3.49 1.13 -1.26 -3.75 117.38 115.95 2nx5 n GLN 255 Ca -0.03 -0.55 -0.14 0.00 -1.94 0.00 0.00 57.00 54.33 2nx5 n GLN 255 Cb 0.31 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.14 2nx5 n GLN 255 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2nx5 h ARG 256 N 1.34 0.89 -6.17 -1.09 3.08 -1.93 -3.47 114.38 107.04 2nx5 h ARG 256 Ca 0.00 -0.54 -0.56 0.00 0.07 0.00 0.00 59.98 58.95 2nx5 h ARG 256 Cb 0.50 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 2nx5 h ARG 256 CO 0.00 1.18 0.03 0.71 -1.07 0.00 0.00 179.97 180.82 2nx5 s TYR 257 N -4.20 3.72 -0.04 3.04 1.51 -1.25 -3.32 117.35 116.82 2nx5 s TYR 257 Ca -0.11 1.28 0.05 0.00 -1.01 0.00 0.00 57.07 57.28 2nx5 s TYR 257 Cb 0.10 -2.64 -0.00 0.00 -0.11 0.00 0.00 41.96 39.31 2nx5 s TYR 257 CO 0.89 0.38 -0.18 0.95 -1.11 0.00 0.00 175.55 176.48 2nx5 s THR 258 N -0.34 1.49 -0.28 -0.71 -4.23 -1.02 -4.53 115.64 106.02 2nx5 s THR 258 Ca 0.32 -0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 59.97 2nx5 s THR 258 Cb -0.19 -1.28 -0.05 0.00 1.34 0.00 0.00 72.50 72.32 2nx5 s THR 258 CO 0.19 0.43 0.19 0.00 -0.54 0.00 0.00 174.62 174.89 2nx5 s HIS 260 N 1.75 3.40 -0.18 0.00 3.76 -0.46 -1.12 115.29 122.44 2nx5 s HIS 260 Ca 0.07 0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 55.36 2nx5 s HIS 260 Cb -0.16 -2.28 -0.01 0.00 1.11 0.00 0.00 32.58 31.24 2nx5 s HIS 260 CO 0.11 0.19 -0.07 0.08 -0.85 0.00 0.00 174.74 174.19 2nx5 s VAL 261 N 0.67 3.35 -0.16 -0.90 1.01 -0.47 -2.53 120.40 121.36 2nx5 s VAL 261 Ca 0.11 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2nx5 s VAL 261 Cb -0.13 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.81 2nx5 s VAL 261 CO 0.02 0.47 -0.08 -1.10 0.00 0.00 0.00 175.10 174.41 2nx5 s GLN 262 N 0.90 1.73 0.05 2.72 -0.21 -1.08 -2.74 119.66 121.03 2nx5 s GLN 262 Ca -0.01 -0.53 -0.15 0.00 0.02 0.00 0.00 55.36 54.69 2nx5 s GLN 262 Cb -0.15 -2.01 0.02 0.00 1.00 0.00 0.00 33.01 31.87 2nx5 s GLN 262 CO 0.01 -0.36 0.34 -1.58 -2.12 0.00 0.00 175.29 171.57 2nx5 s HIS 263 N 1.58 -0.15 0.44 0.91 2.46 -1.26 -2.72 115.29 116.55 2nx5 s HIS 263 Ca 0.02 0.04 0.15 0.00 0.47 0.00 0.00 55.06 55.74 2nx5 s HIS 263 Cb -0.14 0.13 1.02 0.00 -0.13 0.00 0.00 32.58 33.45 2nx5 s HIS 263 CO -0.08 -0.53 1.99 1.49 -2.47 0.00 0.00 174.74 175.14 2nx5 h GLU 264 N 3.14 0.00 0.00 2.88 4.81 -1.91 -2.41 114.58 121.08 2nx5 h GLU 264 Ca -0.32 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2nx5 h GLU 264 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2nx5 h GLU 264 CO 0.45 0.19 -0.15 0.78 -0.73 0.00 0.00 179.01 179.55 2nx5 h GLY 265 N 0.59 0.00 -5.91 1.92 0.00 -1.83 -3.43 103.07 94.41 2nx5 h GLY 265 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2nx5 h GLY 265 CO 0.02 0.00 0.05 1.08 0.00 0.00 0.00 176.54 177.69 2nx5 s LEU 266 N -7.11 4.17 0.12 3.11 1.43 -0.91 -4.40 118.68 115.11 2nx5 s LEU 266 Ca -0.02 0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 53.75 2nx5 s LEU 266 Cb 0.12 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 2nx5 s LEU 266 CO 0.60 -0.21 1.59 -0.65 0.23 0.00 0.00 176.35 177.91 2nx5 h PRO 267 N 7.33 0.66 -5.06 1.29 0.11 -1.85 -3.44 132.00 131.04 2nx5 h PRO 267 Ca -0.34 -0.19 -0.52 0.00 0.11 0.00 0.00 66.00 65.06 2nx5 h PRO 267 Cb 1.15 -0.07 -0.31 0.00 0.11 0.00 0.00 31.00 31.88 2nx5 h PRO 267 CO 0.76 0.73 -0.82 0.15 -0.21 0.00 0.00 178.00 178.61 2nx5 s LYS 268 N -5.13 1.52 0.22 1.05 1.02 -1.26 -5.12 119.74 112.04 2nx5 s LYS 268 Ca -0.13 -0.51 -0.32 0.00 0.02 0.00 0.00 55.97 55.04 2nx5 s LYS 268 Cb 0.10 -1.34 -0.14 0.00 -0.52 0.00 0.00 37.83 35.93 2nx5 s LYS 268 CO 0.78 0.20 1.35 -2.30 -0.92 0.00 0.00 175.35 174.46 2nx5 n PRO 269 N 3.21 1.82 -4.40 -1.68 -0.02 -1.26 -4.97 135.00 127.70 2nx5 n PRO 269 Ca -0.18 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 2nx5 n PRO 269 Cb 0.53 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 2nx5 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nx5 s LEU 270 N 0.24 3.39 -0.20 2.45 1.43 -1.11 -4.96 118.68 119.92 2nx5 s LEU 270 Ca 0.69 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.73 2nx5 s LEU 270 Cb -0.70 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2nx5 s LEU 270 CO 0.50 0.27 0.02 -0.89 0.23 0.00 0.00 176.35 176.48 2nx5 s THR 271 N -0.23 4.22 -0.03 5.49 2.01 -1.26 -1.37 115.64 124.47 2nx5 s THR 271 Ca 0.05 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2nx5 s THR 271 Cb -0.13 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.50 2nx5 s THR 271 CO 0.02 0.43 0.00 -0.76 -0.69 0.00 0.00 174.62 173.63 2nx5 s LEU 272 N 0.82 1.18 0.56 4.42 1.02 -0.27 -4.95 118.68 121.45 2nx5 s LEU 272 Ca 0.02 -0.02 0.08 0.00 0.02 0.00 0.00 54.13 54.22 2nx5 s LEU 272 Cb -0.14 -0.20 0.06 0.00 0.02 0.00 0.00 46.19 45.93 2nx5 s LEU 272 CO 0.02 -0.10 0.60 -0.13 0.02 0.00 0.00 176.35 176.76 2nx5 s ARG 273 N 1.00 2.27 0.20 1.70 0.52 -1.26 0.35 118.95 123.73 2nx5 s ARG 273 Ca -0.10 -1.84 -0.30 0.00 -0.52 0.00 0.00 55.73 52.97 2nx5 s ARG 273 Cb -0.13 -2.37 -0.08 0.00 0.52 0.00 0.00 34.95 32.89 2nx5 s ARG 273 CO -0.02 -0.75 1.09 -0.46 0.02 0.00 0.00 175.30 175.18 2nx5 s TRP 274 N -2.73 3.61 -0.22 -0.53 -0.00 -1.26 -4.79 118.94 113.02 2nx5 s TRP 274 Ca 0.48 1.63 -0.10 0.00 -0.00 0.00 0.00 56.10 58.11 2nx5 s TRP 274 Cb -0.04 -3.26 -0.05 0.00 -0.00 0.00 0.00 33.47 30.12 2nx5 s TRP 274 CO 0.30 -0.55 0.13 -1.21 -0.00 0.00 0.00 176.95 175.62 2nx5 s GLU 275 N -0.57 4.05 0.00 5.86 8.01 -1.26 -4.98 118.70 129.81 2nx5 s GLU 275 Ca 0.48 -0.29 0.19 0.00 0.01 0.00 0.00 54.97 55.36 2nx5 s GLU 275 Cb -0.30 -3.44 1.11 0.00 -4.31 0.00 0.00 34.13 27.20 2nx5 s GLU 275 CO 0.36 0.14 1.50 -2.30 0.01 0.00 0.00 175.26 174.97