#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1im3 s SER 2 N 0.00 6.54 0.20 1.61 1.04 -1.26 -3.66 113.70 118.17 1im3 s SER 2 Ca 0.00 1.20 0.03 0.00 0.48 0.00 0.00 55.95 57.67 1im3 s SER 2 Cb 0.00 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1im3 s SER 2 CO 0.00 -0.42 -0.03 -1.00 0.98 0.00 0.00 173.24 172.77 1im3 s HIS 3 N -2.39 1.42 0.02 5.02 3.76 0.25 -4.93 115.29 118.45 1im3 s HIS 3 Ca 0.52 -0.90 -0.09 0.00 -0.15 0.00 0.00 55.06 54.45 1im3 s HIS 3 Cb -0.10 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.79 1im3 s HIS 3 CO 0.31 -0.04 0.18 -1.54 -0.85 0.00 0.00 174.74 172.80 1im3 s SER 4 N -3.25 0.02 -0.06 1.40 1.04 -1.26 0.23 113.70 111.82 1im3 s SER 4 Ca 0.24 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.43 1im3 s SER 4 Cb 0.05 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1im3 s SER 4 CO 0.06 -0.49 -0.19 -0.32 0.98 0.00 0.00 173.24 173.28 1im3 s MET 5 N -2.08 2.10 0.00 4.02 1.75 -0.12 -0.10 119.30 124.87 1im3 s MET 5 Ca -0.09 -0.67 -0.01 0.00 -1.25 0.00 0.00 55.69 53.68 1im3 s MET 5 Cb -0.03 -1.75 -0.01 0.00 2.84 0.00 0.00 34.83 35.88 1im3 s MET 5 CO -0.01 0.22 0.00 1.03 -0.65 0.00 0.00 175.02 175.61 1im3 s ARG 6 N 0.16 0.14 -0.09 4.11 1.81 0.13 -1.37 118.95 123.85 1im3 s ARG 6 Ca -0.08 -0.23 0.03 0.00 -1.72 0.00 0.00 55.73 53.73 1im3 s ARG 6 Cb -0.14 0.05 -0.01 0.00 -0.45 0.00 0.00 34.95 34.41 1im3 s ARG 6 CO 0.04 -0.02 -0.20 0.71 -0.68 0.00 0.00 175.30 175.14 1im3 s TYR 7 N -0.59 2.61 -0.12 -0.53 2.02 -0.40 0.24 117.35 120.57 1im3 s TYR 7 Ca -0.06 -0.70 0.02 0.00 -0.37 0.00 0.00 57.07 55.96 1im3 s TYR 7 Cb -0.04 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1im3 s TYR 7 CO -0.00 -0.21 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.50 1im3 s PHE 8 N 0.03 2.66 -0.08 2.71 0.08 0.68 -2.66 117.98 121.39 1im3 s PHE 8 Ca -0.07 -1.05 0.03 0.00 0.12 0.00 0.00 56.93 55.96 1im3 s PHE 8 Cb -0.15 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1im3 s PHE 8 CO 0.05 -0.44 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.50 1im3 s PHE 9 N 0.51 1.99 -0.10 0.36 0.08 0.19 -1.27 117.98 119.74 1im3 s PHE 9 Ca -0.13 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.16 1im3 s PHE 9 Cb -0.17 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.92 1im3 s PHE 9 CO 0.05 -0.34 -0.14 0.99 -0.10 0.00 0.00 175.22 175.68 1im3 s THR 10 N 0.48 1.42 -0.09 0.64 2.01 -0.55 -0.76 115.64 118.79 1im3 s THR 10 Ca -0.16 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1im3 s THR 10 Cb -0.17 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.05 1im3 s THR 10 CO 0.06 0.43 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.73 1im3 s SER 11 N 0.97 2.24 -0.18 3.53 0.15 0.05 -1.10 113.70 119.35 1im3 s SER 11 Ca -0.07 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.20 1im3 s SER 11 Cb -0.15 -1.00 0.02 0.00 -1.71 0.00 0.00 66.02 63.19 1im3 s SER 11 CO -0.01 0.02 -0.17 -0.69 1.20 0.00 0.00 173.24 173.59 1im3 s VAL 12 N 0.92 1.88 0.55 4.45 1.01 0.00 -0.71 120.40 128.50 1im3 s VAL 12 Ca -0.09 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 1im3 s VAL 12 Cb -0.15 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1im3 s VAL 12 CO 0.00 0.46 1.11 -0.94 0.00 0.00 0.00 175.10 175.73 1im3 s SER 13 N 1.35 5.76 -0.41 3.32 1.04 -0.45 -0.59 113.70 123.73 1im3 s SER 13 Ca 0.04 2.09 0.08 0.00 0.48 0.00 0.00 55.95 58.64 1im3 s SER 13 Cb -0.14 -2.57 0.25 0.00 0.10 0.00 0.00 66.02 63.66 1im3 s SER 13 CO -0.12 -1.19 0.53 0.54 0.98 0.00 0.00 173.24 173.99 1im3 n ARG 14 N -1.41 0.83 -1.64 4.02 1.74 -1.26 -4.19 116.66 114.75 1im3 n ARG 14 Ca 0.11 -3.33 -0.62 0.00 -0.77 0.00 0.00 57.85 53.25 1im3 n ARG 14 Cb 0.51 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 1im3 n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1im3 n PRO 15 N 1.39 0.28 -0.79 5.56 -0.02 -1.26 -0.39 135.00 139.77 1im3 n PRO 15 Ca 0.22 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1im3 n PRO 15 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1im3 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1im3 n GLY 16 N 3.00 0.56 1.69 -1.23 0.00 -1.26 -4.83 105.19 103.12 1im3 n GLY 16 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1im3 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im3 n ARG 17 N -1.99 2.83 0.00 1.61 1.74 0.48 -5.10 116.66 116.23 1im3 n ARG 17 Ca 0.00 -3.83 0.00 0.00 -0.77 0.00 0.00 57.85 53.25 1im3 n ARG 17 Cb 0.00 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1im3 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1im3 n GLY 18 N -0.77 -2.20 3.64 -0.13 0.00 -1.25 -4.93 105.19 99.55 1im3 n GLY 18 Ca 0.33 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 1im3 n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1im3 n GLU 19 N -0.10 0.27 -1.96 1.61 -0.58 -1.26 -4.51 120.64 114.12 1im3 n GLU 19 Ca 0.00 0.16 -0.37 0.00 -0.42 0.00 0.00 57.16 56.53 1im3 n GLU 19 Cb 0.00 -2.30 0.03 0.00 -0.57 0.00 0.00 31.44 28.60 1im3 n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1im3 s PRO 20 N -3.75 3.10 -0.09 3.49 0.02 -1.26 -4.62 135.00 131.88 1im3 s PRO 20 Ca 0.72 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.40 1im3 s PRO 20 Cb -0.31 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 1im3 s PRO 20 CO 0.52 -1.14 1.07 0.50 -0.33 0.00 0.00 177.00 177.62 1im3 s ARG 21 N -3.11 4.39 -0.14 5.54 6.06 0.24 -4.83 118.95 127.11 1im3 s ARG 21 Ca 0.74 1.49 0.02 0.00 -2.50 0.00 0.00 55.73 55.48 1im3 s ARG 21 Cb -0.34 -3.55 0.01 0.00 0.06 0.00 0.00 34.95 31.13 1im3 s ARG 21 CO 0.38 -0.37 -0.21 0.12 -2.50 0.00 0.00 175.30 172.72 1im3 s PHE 22 N 2.12 2.58 -0.11 5.12 5.36 -1.26 -0.82 117.98 130.98 1im3 s PHE 22 Ca 0.51 -1.30 0.01 0.00 -0.96 0.00 0.00 56.93 55.19 1im3 s PHE 22 Cb -0.20 -1.76 0.02 0.00 -0.34 0.00 0.00 43.02 40.73 1im3 s PHE 22 CO 0.19 -0.60 -0.14 0.42 -1.46 0.00 0.00 175.22 173.63 1im3 s ILE 23 N 0.84 1.42 -0.03 3.12 -1.09 -0.26 -1.03 121.20 124.17 1im3 s ILE 23 Ca -0.07 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 57.84 1im3 s ILE 23 Cb -0.15 -1.32 -0.01 0.00 -1.58 0.00 0.00 42.46 39.39 1im3 s ILE 23 CO -0.02 0.43 -0.24 0.00 -1.23 0.00 0.00 174.94 173.88 1im3 s ALA 24 N 1.13 2.03 0.02 9.38 0.00 0.12 -1.48 121.76 132.97 1im3 s ALA 24 Ca -0.04 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1im3 s ALA 24 Cb -0.14 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1im3 s ALA 24 CO -0.04 0.45 -0.05 0.14 0.00 0.00 0.00 175.76 176.27 1im3 s VAL 25 N -0.39 0.36 -0.06 0.00 -7.23 -0.40 -0.97 120.40 111.71 1im3 s VAL 25 Ca 0.04 -0.69 0.05 0.00 -1.81 0.00 0.00 61.98 59.57 1im3 s VAL 25 Cb -0.11 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.41 1im3 s VAL 25 CO 0.01 -0.23 -0.21 -0.83 -0.31 0.00 0.00 175.10 173.53 1im3 s GLY 26 N -0.99 1.37 0.03 2.32 0.00 -0.64 -0.23 107.32 109.19 1im3 s GLY 26 Ca -0.07 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.68 1im3 s GLY 26 CO -0.00 -0.65 -0.16 -0.19 0.00 0.00 0.00 173.10 172.10 1im3 s TYR 27 N -0.28 1.37 -0.20 1.90 1.51 0.14 -0.15 117.35 121.63 1im3 s TYR 27 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1im3 s TYR 27 Cb -0.13 -0.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1im3 s TYR 27 CO 0.03 0.04 -0.15 0.08 -1.11 0.00 0.00 175.55 174.43 1im3 s VAL 28 N -0.73 2.33 0.00 0.71 1.01 -0.28 -0.69 120.40 122.75 1im3 s VAL 28 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1im3 s VAL 28 Cb -0.08 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1im3 s VAL 28 CO 0.01 0.41 0.00 0.47 0.00 0.00 0.00 175.10 175.99 1im3 n ASP 29 N 4.62 0.00 -1.46 3.32 8.00 0.86 -0.56 116.55 131.34 1im3 n ASP 29 Ca -0.19 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.39 1im3 n ASP 29 Cb 0.49 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.90 1im3 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1im3 n ASP 30 N 4.64 4.30 -4.28 -2.24 8.00 -1.26 -4.88 116.55 120.83 1im3 n ASP 30 Ca 0.00 -2.42 -0.35 0.00 0.71 0.00 0.00 54.79 52.73 1im3 n ASP 30 Cb 0.00 -0.55 -0.14 0.00 -0.02 0.00 0.00 41.12 40.41 1im3 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1im3 s THR 31 N -1.87 3.25 0.22 -3.53 2.01 0.28 -5.02 115.64 110.98 1im3 s THR 31 Ca 0.45 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1im3 s THR 31 Cb 0.29 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 1im3 s THR 31 CO 0.21 0.38 1.16 -1.58 -0.69 0.00 0.00 174.62 174.10 1im3 s GLN 32 N 1.45 4.54 0.00 4.92 0.74 -1.26 -1.12 119.66 128.92 1im3 s GLN 32 Ca 0.05 1.85 0.00 0.00 0.05 0.00 0.00 55.36 57.31 1im3 s GLN 32 Cb -0.15 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.74 1im3 s GLN 32 CO -0.04 0.01 0.00 1.97 -0.55 0.00 0.00 175.29 176.68 1im3 n PHE 33 N 2.05 0.00 -3.89 1.67 -1.74 0.78 -4.06 117.46 112.28 1im3 n PHE 33 Ca 0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.82 1im3 n PHE 33 Cb 0.45 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.38 1im3 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1im3 s VAL 34 N -1.13 0.11 0.06 1.97 -7.23 -1.21 -0.84 120.40 112.13 1im3 s VAL 34 Ca 0.00 -1.23 -0.26 0.00 -1.81 0.00 0.00 61.98 58.68 1im3 s VAL 34 Cb 0.00 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.48 1im3 s VAL 34 CO 0.00 -0.48 0.70 0.00 -0.31 0.00 0.00 175.10 175.01 1im3 s ARG 35 N -3.90 1.10 -0.05 4.82 1.04 -0.60 -1.62 118.95 119.74 1im3 s ARG 35 Ca 0.10 -0.23 -0.02 0.00 -1.04 0.00 0.00 55.73 54.54 1im3 s ARG 35 Cb 0.04 0.51 0.03 0.00 -2.04 0.00 0.00 34.95 33.49 1im3 s ARG 35 CO -0.06 -0.44 0.11 0.12 -0.04 0.00 0.00 175.30 174.98 1im3 s PHE 36 N -2.86 -0.12 -0.19 5.89 5.36 -0.14 -0.17 117.98 125.76 1im3 s PHE 36 Ca -0.01 0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1im3 s PHE 36 Cb -0.01 -0.08 0.05 0.00 -0.34 0.00 0.00 43.02 42.64 1im3 s PHE 36 CO -0.06 -0.12 -0.05 0.34 -1.46 0.00 0.00 175.22 173.87 1im3 s ASP 37 N 0.86 3.14 0.60 6.13 -1.08 -1.26 -0.70 116.67 124.36 1im3 s ASP 37 Ca -0.07 -0.82 0.30 0.00 -0.52 0.00 0.00 52.55 51.44 1im3 s ASP 37 Cb -0.09 -0.98 1.65 0.00 -1.46 0.00 0.00 42.92 42.04 1im3 s ASP 37 CO -0.04 -0.20 2.05 0.77 0.52 0.00 0.00 175.17 178.26 1im3 h SER 38 N 8.08 0.00 0.45 -0.34 4.64 -1.47 -0.90 113.55 124.00 1im3 h SER 38 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1im3 h SER 38 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1im3 h SER 38 CO 0.41 0.00 -0.67 0.47 -0.87 0.00 0.00 176.83 176.17 1im3 n ASP 39 N -3.65 0.61 -4.83 4.97 9.92 -1.26 -4.94 116.55 117.37 1im3 n ASP 39 Ca 0.03 -0.32 -0.31 0.00 -0.53 0.00 0.00 54.79 53.66 1im3 n ASP 39 Cb 0.40 0.44 0.04 0.00 -0.64 0.00 0.00 41.12 41.36 1im3 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1im3 s ALA 40 N -3.05 2.74 0.18 2.24 0.00 -0.34 -4.98 121.76 118.55 1im3 s ALA 40 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 1im3 s ALA 40 Cb 0.16 -3.15 0.09 0.00 0.00 0.00 0.00 23.12 20.22 1im3 s ALA 40 CO 0.74 -1.15 1.46 0.00 0.00 0.00 0.00 175.76 176.81 1im3 h ALA 41 N -0.66 0.64 -1.00 0.00 0.00 -1.92 -3.31 119.26 113.00 1im3 h ALA 41 Ca -0.44 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 53.95 1im3 h ALA 41 Cb 1.21 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1im3 h ALA 41 CO 0.58 0.75 0.64 0.66 0.00 0.00 0.00 179.25 181.88 1im3 h SER 42 N 0.28 1.03 -4.30 0.00 4.64 -1.94 -3.46 113.55 109.81 1im3 h SER 42 Ca -0.02 0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 60.91 1im3 h SER 42 Cb 1.26 -0.21 0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1im3 h SER 42 CO 0.12 0.65 -0.58 0.00 -0.87 0.00 0.00 176.83 176.15 1im3 n GLN 43 N -4.51 -4.05 -4.12 4.77 1.13 -1.25 -4.98 117.38 104.37 1im3 n GLN 43 Ca 0.15 0.87 -0.12 0.00 -1.94 0.00 0.00 57.00 55.96 1im3 n GLN 43 Cb 0.19 -5.67 -0.11 0.00 0.11 0.00 0.00 30.24 24.76 1im3 n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1im3 s ARG 44 N -5.59 0.68 0.10 -1.09 0.52 -1.26 -5.03 118.95 107.28 1im3 s ARG 44 Ca 0.25 -1.03 -0.31 0.00 -0.52 0.00 0.00 55.73 54.12 1im3 s ARG 44 Cb -0.11 -0.27 -0.07 0.00 0.52 0.00 0.00 34.95 35.01 1im3 s ARG 44 CO 0.30 0.02 1.35 1.41 0.02 0.00 0.00 175.30 178.41 1im3 s MET 45 N -2.62 4.34 0.11 3.54 -2.45 -1.26 -4.67 119.30 116.29 1im3 s MET 45 Ca 0.00 2.02 0.08 0.00 -1.25 0.00 0.00 55.69 56.54 1im3 s MET 45 Cb -0.03 -3.27 -0.04 0.00 1.25 0.00 0.00 34.83 32.74 1im3 s MET 45 CO -0.02 -0.41 -0.16 -1.21 1.05 0.00 0.00 175.02 174.28 1im3 s GLU 46 N 1.12 1.89 0.27 4.11 2.02 0.76 -4.91 118.70 123.96 1im3 s GLU 46 Ca 0.63 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.19 1im3 s GLU 46 Cb -0.35 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.61 1im3 s GLU 46 CO 0.30 0.49 1.09 -1.25 0.02 0.00 0.00 175.26 175.90 1im3 s PRO 47 N -2.18 4.66 0.00 0.39 0.04 -1.26 -1.56 135.00 135.09 1im3 s PRO 47 Ca 0.19 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1im3 s PRO 47 Cb -0.11 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1im3 s PRO 47 CO 0.11 0.23 0.39 0.54 0.04 0.00 0.00 177.00 178.31 1im3 n ARG 48 N 1.29 -0.08 -4.09 4.56 5.12 -0.02 -4.89 116.66 118.54 1im3 n ARG 48 Ca -0.01 -0.45 -0.15 0.00 -1.93 0.00 0.00 57.85 55.32 1im3 n ARG 48 Cb 0.45 -0.78 -0.14 0.00 -1.16 0.00 0.00 32.46 30.83 1im3 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1im3 s ALA 49 N -0.12 0.34 0.27 7.54 0.00 -1.23 -4.71 121.76 123.86 1im3 s ALA 49 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 1im3 s ALA 49 Cb 0.00 -0.08 0.48 0.00 0.00 0.00 0.00 23.12 23.51 1im3 s ALA 49 CO 0.00 0.08 1.86 -1.35 0.00 0.00 0.00 175.76 176.35 1im3 h PRO 50 N 6.00 1.05 0.00 0.00 0.11 -1.94 -2.65 132.00 134.58 1im3 h PRO 50 Ca -0.27 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1im3 h PRO 50 Cb 1.20 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1im3 h PRO 50 CO 0.50 0.70 0.00 0.11 -0.21 0.00 0.00 178.00 179.10 1im3 h TRP 51 N 1.08 0.00 0.00 0.65 5.08 -1.97 -2.25 115.95 118.54 1im3 h TRP 51 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.43 1im3 h TRP 51 Cb 0.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.48 1im3 h TRP 51 CO -0.00 0.00 -0.58 0.97 -1.28 0.00 0.00 178.44 177.55 1im3 h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.81 -3.31 117.51 118.60 1im3 h ILE 52 Ca 0.00 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1im3 h ILE 52 Cb 0.33 1.21 0.00 0.00 0.47 0.00 0.00 36.82 38.83 1im3 h ILE 52 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 1im3 n GLU 53 N -2.25 0.17 -0.01 2.19 1.02 -0.85 -2.02 120.64 118.91 1im3 n GLU 53 Ca 0.03 0.44 0.13 0.00 -0.02 0.00 0.00 57.16 57.74 1im3 n GLU 53 Cb 0.46 -1.85 0.71 0.00 -0.02 0.00 0.00 31.44 30.73 1im3 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1im3 n GLN 54 N -2.18 1.09 -2.78 3.49 10.64 -1.25 -4.79 117.38 121.60 1im3 n GLN 54 Ca 0.02 -0.14 -0.40 0.00 -1.83 0.00 0.00 57.00 54.65 1im3 n GLN 54 Cb 0.20 -1.40 -0.05 0.00 -0.86 0.00 0.00 30.24 28.12 1im3 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1im3 s GLU 55 N -1.99 4.76 1.17 2.61 0.41 -0.85 -5.05 118.70 119.76 1im3 s GLU 55 Ca 0.38 1.42 -0.19 0.00 -0.41 0.00 0.00 54.97 56.16 1im3 s GLU 55 Cb 0.18 -3.31 0.28 0.00 -1.78 0.00 0.00 34.13 29.49 1im3 s GLU 55 CO 0.29 0.41 1.15 0.20 -0.49 0.00 0.00 175.26 176.83 1im3 s GLY 56 N -0.73 1.63 0.34 -1.39 0.00 -1.26 -4.84 107.32 101.06 1im3 s GLY 56 Ca 0.42 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 44.14 1im3 s GLY 56 CO 0.30 -0.16 1.91 -2.55 0.00 0.00 0.00 173.10 172.60 1im3 h PRO 57 N -2.45 0.81 -0.15 2.90 0.11 -1.98 -1.66 132.00 129.57 1im3 h PRO 57 Ca -0.44 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1im3 h PRO 57 Cb 1.28 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1im3 h PRO 57 CO 0.33 0.53 -0.29 0.93 -0.21 0.00 0.00 178.00 179.29 1im3 h GLU 58 N 0.83 0.28 0.15 1.05 3.07 -1.99 -1.11 114.58 116.88 1im3 h GLU 58 Ca 0.38 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1im3 h GLU 58 Cb 0.38 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1im3 h GLU 58 CO -0.15 0.55 -0.07 -0.92 -1.40 0.00 0.00 179.01 177.02 1im3 h TYR 59 N 0.25 -0.19 -0.68 4.33 3.20 -1.65 -0.77 116.97 121.47 1im3 h TYR 59 Ca 0.04 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1im3 h TYR 59 Cb 0.64 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1im3 h TYR 59 CO 0.01 0.00 0.24 -1.49 -1.64 0.00 0.00 178.16 175.29 1im3 h TRP 60 N -0.36 1.03 -0.46 -3.82 4.06 -1.34 0.29 115.95 115.35 1im3 h TRP 60 Ca -0.02 -0.08 -0.09 0.00 2.06 0.00 0.00 58.89 60.76 1im3 h TRP 60 Cb 0.28 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 1im3 h TRP 60 CO -0.02 0.80 -0.08 -0.44 -3.56 0.00 0.00 178.44 175.14 1im3 h ASP 61 N 0.98 0.87 -0.03 -3.49 3.32 -1.15 -0.92 116.42 116.01 1im3 h ASP 61 Ca 0.23 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1im3 h ASP 61 Cb 0.23 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1im3 h ASP 61 CO -0.02 1.01 0.01 1.23 -1.72 0.00 0.00 179.24 179.75 1im3 h GLY 62 N 0.71 0.04 1.34 2.75 0.00 -0.67 -1.29 103.07 105.96 1im3 h GLY 62 Ca 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1im3 h GLY 62 CO 0.04 0.02 0.16 0.83 0.00 0.00 0.00 176.54 177.59 1im3 h GLU 63 N -0.14 0.84 -0.18 4.80 4.39 -0.91 0.11 114.58 123.48 1im3 h GLU 63 Ca 0.01 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1im3 h GLU 63 Cb 0.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1im3 h GLU 63 CO -0.00 0.73 0.09 1.15 -1.16 0.00 0.00 179.01 179.83 1im3 h THR 64 N 0.81 1.12 -0.06 1.13 2.02 -1.03 0.25 112.91 117.15 1im3 h THR 64 Ca 0.18 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1im3 h THR 64 Cb 0.26 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1im3 h THR 64 CO -0.01 0.11 0.03 -0.09 0.37 0.00 0.00 175.52 175.94 1im3 h ARG 65 N 0.17 0.08 -0.66 6.66 2.43 -0.89 -1.03 114.38 121.14 1im3 h ARG 65 Ca 0.06 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1im3 h ARG 65 Cb 0.09 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1im3 h ARG 65 CO -0.01 0.13 0.24 0.87 -1.51 0.00 0.00 179.97 179.70 1im3 h LYS 66 N 0.01 1.01 -0.38 0.20 1.57 -0.84 -0.95 116.57 117.19 1im3 h LYS 66 Ca 0.02 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1im3 h LYS 66 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1im3 h LYS 66 CO -0.00 0.86 -0.19 -0.24 -0.57 0.00 0.00 179.45 179.31 1im3 h VAL 67 N 0.95 1.27 -0.75 0.50 3.04 -0.38 -0.41 116.25 120.47 1im3 h VAL 67 Ca 0.22 -1.27 -0.05 0.00 -1.01 0.00 0.00 66.70 64.60 1im3 h VAL 67 Cb 0.25 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.67 1im3 h VAL 67 CO -0.01 0.42 0.28 0.11 -1.01 0.00 0.00 177.57 177.36 1im3 h LYS 68 N 0.64 1.12 -0.68 4.17 1.57 -0.98 0.07 116.57 122.47 1im3 h LYS 68 Ca 0.10 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1im3 h LYS 68 Cb 0.67 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1im3 h LYS 68 CO 0.05 0.92 0.26 0.00 -0.57 0.00 0.00 179.45 180.11 1im3 h ALA 69 N 1.22 0.89 -0.99 3.86 0.00 -0.44 -1.30 119.26 122.50 1im3 h ALA 69 Ca 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1im3 h ALA 69 Cb 0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1im3 h ALA 69 CO -0.02 0.52 0.65 0.45 0.00 0.00 0.00 179.25 180.85 1im3 h HIS 70 N 0.97 1.24 -0.80 0.00 3.86 -0.39 -1.07 115.15 118.96 1im3 h HIS 70 Ca 0.23 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.54 1im3 h HIS 70 Cb 0.22 -0.42 -0.06 0.00 1.06 0.00 0.00 27.41 28.21 1im3 h HIS 70 CO 0.02 0.77 0.47 1.03 0.86 0.00 0.00 177.93 181.08 1im3 h SER 71 N 1.33 0.71 -0.02 2.45 0.87 -0.21 -2.06 113.55 116.61 1im3 h SER 71 Ca 0.37 0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.72 1im3 h SER 71 Cb -0.14 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1im3 h SER 71 CO -0.08 0.43 -0.87 1.56 -0.53 0.00 0.00 176.83 177.34 1im3 h GLN 72 N 0.83 0.70 -0.49 2.24 1.08 -0.19 -2.11 115.11 117.17 1im3 h GLN 72 Ca 0.36 -0.64 -0.05 0.00 -1.45 0.00 0.00 58.65 56.88 1im3 h GLN 72 Cb 0.25 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1im3 h GLN 72 CO -0.20 1.24 0.11 1.79 -0.95 0.00 0.00 178.83 180.82 1im3 h THR 73 N 0.45 1.21 -0.03 -0.54 1.35 -1.06 -2.01 112.91 112.28 1im3 h THR 73 Ca -0.08 -0.77 -0.09 0.00 -0.55 0.00 0.00 66.41 64.92 1im3 h THR 73 Cb 1.50 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1im3 h THR 73 CO 0.17 0.28 -0.42 0.45 -0.25 0.00 0.00 175.52 175.75 1im3 h HIS 74 N 0.72 0.06 -0.43 4.73 3.86 -1.26 0.19 115.15 123.03 1im3 h HIS 74 Ca 0.16 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1im3 h HIS 74 Cb 0.28 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1im3 h HIS 74 CO 0.01 0.47 0.14 -0.09 0.86 0.00 0.00 177.93 179.33 1im3 h ARG 75 N 0.05 0.66 -0.49 2.45 2.43 -0.69 -1.72 114.38 117.06 1im3 h ARG 75 Ca 0.00 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 1im3 h ARG 75 Cb 0.77 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1im3 h ARG 75 CO 0.06 0.64 -0.03 0.28 -1.51 0.00 0.00 179.97 179.40 1im3 h VAL 76 N 0.55 1.27 -0.71 0.20 2.07 -0.90 -3.11 116.25 115.61 1im3 h VAL 76 Ca 0.14 -1.13 0.09 0.00 0.82 0.00 0.00 66.70 66.62 1im3 h VAL 76 Cb 0.25 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 1im3 h VAL 76 CO -0.01 0.39 0.37 0.44 0.02 0.00 0.00 177.57 178.78 1im3 h ASP 77 N 0.75 0.50 -0.94 0.57 3.32 -0.26 -0.70 116.42 119.65 1im3 h ASP 77 Ca 0.14 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.34 1im3 h ASP 77 Cb 0.56 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.00 1im3 h ASP 77 CO 0.03 0.29 0.58 -0.07 -1.72 0.00 0.00 179.24 178.36 1im3 h LEU 78 N 0.63 0.88 -0.29 1.55 3.38 -1.25 0.36 115.31 120.56 1im3 h LEU 78 Ca 0.34 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.23 1im3 h LEU 78 Cb 0.33 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1im3 h LEU 78 CO -0.25 0.50 -0.28 1.23 0.09 0.00 0.00 178.44 179.74 1im3 h GLY 79 N 0.98 0.77 0.99 0.83 0.00 -1.39 -1.14 103.07 104.11 1im3 h GLY 79 Ca 0.45 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1im3 h GLY 79 CO -0.23 0.71 0.31 -0.84 0.00 0.00 0.00 176.54 176.49 1im3 h THR 80 N 0.46 1.17 -0.39 4.70 2.02 -0.17 -2.19 112.91 118.51 1im3 h THR 80 Ca 0.05 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.70 1im3 h THR 80 Cb 0.85 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1im3 h THR 80 CO 0.07 0.18 -0.24 -0.07 0.37 0.00 0.00 175.52 175.83 1im3 h LEU 81 N 0.73 0.81 -1.22 2.58 3.38 -0.27 -0.50 115.31 120.83 1im3 h LEU 81 Ca 0.19 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1im3 h LEU 81 Cb 0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1im3 h LEU 81 CO -0.03 1.02 0.55 -0.09 0.09 0.00 0.00 178.44 179.97 1im3 h ARG 82 N 0.69 0.97 0.37 1.13 2.43 -0.98 -1.45 114.38 117.54 1im3 h ARG 82 Ca 0.09 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1im3 h ARG 82 Cb 0.76 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1im3 h ARG 82 CO 0.06 0.64 -0.18 0.78 -1.51 0.00 0.00 179.97 179.77 1im3 h GLY 83 N 1.00 -0.51 0.21 2.80 0.00 -0.75 0.46 103.07 106.27 1im3 h GLY 83 Ca 0.34 0.19 0.23 0.00 0.00 0.00 0.00 47.33 48.09 1im3 h GLY 83 CO -0.11 -0.19 0.62 -0.97 0.00 0.00 0.00 176.54 175.90 1im3 h TYR 84 N -0.88 0.36 -0.63 5.60 0.05 -0.78 0.79 116.97 121.47 1im3 h TYR 84 Ca -0.05 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1im3 h TYR 84 Cb 0.54 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1im3 h TYR 84 CO 0.03 0.08 0.00 0.66 -1.05 0.00 0.00 178.16 177.88 1im3 n TYR 85 N -4.44 1.19 -4.10 4.88 4.01 -0.57 -4.91 117.16 113.22 1im3 n TYR 85 Ca 0.20 -0.58 -0.31 0.00 -0.16 0.00 0.00 57.90 57.05 1im3 n TYR 85 Cb 0.82 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.66 1im3 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1im3 n ASN 86 N 1.16 -0.81 -4.92 7.72 5.03 0.27 -4.95 115.26 118.76 1im3 n ASN 86 Ca 0.24 -1.16 -0.22 0.00 0.87 0.00 0.00 54.58 54.30 1im3 n ASN 86 Cb 0.75 -2.28 -0.03 0.00 -1.02 0.00 0.00 39.78 37.20 1im3 n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1im3 s GLN 87 N -6.98 3.29 0.68 3.52 -0.21 0.08 -5.04 119.66 115.01 1im3 s GLN 87 Ca 0.12 -0.80 -0.17 0.00 0.02 0.00 0.00 55.36 54.52 1im3 s GLN 87 Cb -0.06 -2.82 0.01 0.00 1.00 0.00 0.00 33.01 31.14 1im3 s GLN 87 CO 0.94 0.44 1.28 0.45 -2.12 0.00 0.00 175.29 176.29 1im3 n SER 88 N -1.13 1.89 -0.07 5.90 2.88 -1.26 -4.78 113.62 117.06 1im3 n SER 88 Ca -0.08 0.78 0.16 0.00 -1.33 0.00 0.00 58.87 58.40 1im3 n SER 88 Cb 0.56 -1.55 0.89 0.00 -0.75 0.00 0.00 64.21 63.36 1im3 n SER 88 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1im3 n GLU 89 N -2.17 1.08 -0.06 -1.46 4.07 -1.26 -3.81 120.64 117.03 1im3 n GLU 89 Ca 0.16 -0.14 -0.01 0.00 -0.06 0.00 0.00 57.16 57.11 1im3 n GLU 89 Cb 0.48 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 30.22 1im3 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1im3 n ALA 90 N -0.84 2.02 -1.70 4.31 0.00 -1.26 -4.86 120.51 118.18 1im3 n ALA 90 Ca 0.23 -0.91 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 1im3 n ALA 90 Cb 0.15 -0.35 0.01 0.00 0.00 0.00 0.00 19.45 19.26 1im3 n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1im3 s GLY 91 N -4.84 1.89 -0.15 0.00 0.00 -1.25 -4.61 107.32 98.36 1im3 s GLY 91 Ca -0.08 0.17 -0.21 0.00 0.00 0.00 0.00 44.72 44.59 1im3 s GLY 91 CO 0.77 0.47 0.64 -0.45 0.00 0.00 0.00 173.10 174.54 1im3 s SER 92 N -3.40 6.79 0.22 1.64 0.15 -1.26 -4.66 113.70 113.18 1im3 s SER 92 Ca 0.59 0.95 0.08 0.00 0.70 0.00 0.00 55.95 58.28 1im3 s SER 92 Cb -0.13 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1im3 s SER 92 CO 0.44 -0.20 -0.15 -1.00 1.20 0.00 0.00 173.24 173.53 1im3 s HIS 93 N 1.45 1.79 -0.13 3.44 3.76 -1.26 -4.94 115.29 119.40 1im3 s HIS 93 Ca 0.31 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.70 1im3 s HIS 93 Cb -0.16 -0.83 0.01 0.00 1.11 0.00 0.00 32.58 32.72 1im3 s HIS 93 CO 0.13 0.41 -0.19 0.99 -0.85 0.00 0.00 174.74 175.23 1im3 s THR 94 N -2.91 1.82 -0.11 1.30 2.01 -1.26 -1.33 115.64 115.15 1im3 s THR 94 Ca 0.24 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 1im3 s THR 94 Cb -0.01 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1im3 s THR 94 CO 0.08 0.50 -0.10 0.54 -0.69 0.00 0.00 174.62 174.95 1im3 s VAL 95 N 0.98 3.34 0.06 3.82 0.11 0.11 -0.80 120.40 128.01 1im3 s VAL 95 Ca -0.05 -0.58 0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1im3 s VAL 95 Cb -0.15 -2.40 -0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1im3 s VAL 95 CO -0.04 0.54 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.98 1im3 s GLN 96 N -0.00 1.26 0.01 1.54 -0.21 -0.17 -0.77 119.66 121.32 1im3 s GLN 96 Ca -0.02 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.39 1im3 s GLN 96 Cb -0.14 -1.40 -0.01 0.00 1.00 0.00 0.00 33.01 32.46 1im3 s GLN 96 CO 0.04 0.35 -0.03 0.50 -2.12 0.00 0.00 175.29 174.03 1im3 s ARG 97 N -1.36 0.24 -0.08 2.91 3.52 0.06 -0.88 118.95 123.36 1im3 s ARG 97 Ca 0.06 -0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.25 1im3 s ARG 97 Cb -0.09 -0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.28 1im3 s ARG 97 CO 0.02 0.00 0.21 1.41 -0.81 0.00 0.00 175.30 176.13 1im3 s MET 98 N -0.78 0.21 0.12 5.12 1.75 -0.14 -0.64 119.30 124.95 1im3 s MET 98 Ca -0.07 0.36 -0.14 0.00 -1.25 0.00 0.00 55.69 54.59 1im3 s MET 98 Cb -0.05 0.02 0.02 0.00 2.84 0.00 0.00 34.83 37.66 1im3 s MET 98 CO -0.00 -0.08 0.35 1.52 -0.65 0.00 0.00 175.02 176.15 1im3 s TYR 99 N 0.52 -0.06 -5.00 4.11 -0.85 -1.09 -0.84 117.35 114.14 1im3 s TYR 99 Ca -0.03 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 1im3 s TYR 99 Cb -0.05 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.46 1im3 s TYR 99 CO -0.03 -0.68 0.00 0.41 -1.52 0.00 0.00 175.55 173.74 1im3 n GLY 100 N -0.19 -1.98 3.25 5.49 0.00 -0.86 -1.28 105.19 109.62 1im3 n GLY 100 Ca -0.15 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 1im3 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1im3 s ASP 102 N -3.18 2.18 0.16 0.00 1.01 0.13 -0.95 116.67 116.03 1im3 s ASP 102 Ca 0.21 -0.35 0.10 0.00 0.71 0.00 0.00 52.55 53.22 1im3 s ASP 102 Cb 0.05 -0.42 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 1im3 s ASP 102 CO 0.03 0.19 -0.23 0.68 0.21 0.00 0.00 175.17 176.05 1im3 s VAL 103 N -0.21 2.10 0.86 -1.27 -7.23 0.14 0.13 120.40 114.91 1im3 s VAL 103 Ca 0.02 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1im3 s VAL 103 Cb -0.09 -1.93 0.18 0.00 0.56 0.00 0.00 36.38 35.09 1im3 s VAL 103 CO 0.01 -0.11 1.17 -0.83 -0.31 0.00 0.00 175.10 175.03 1im3 s GLY 104 N -2.41 1.78 0.66 2.32 0.00 -0.93 -0.58 107.32 108.16 1im3 s GLY 104 Ca 0.16 -1.59 0.35 0.00 0.00 0.00 0.00 44.72 43.64 1im3 s GLY 104 CO 0.07 -0.88 2.10 1.48 0.00 0.00 0.00 173.10 175.87 1im3 h SER 105 N -1.12 0.00 -0.14 1.64 4.64 -1.92 0.91 113.55 117.56 1im3 h SER 105 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1im3 h SER 105 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1im3 h SER 105 CO 0.36 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.42 1im3 n ASP 106 N -3.03 1.24 -1.20 4.97 5.75 -1.26 -4.91 116.55 118.11 1im3 n ASP 106 Ca -0.02 -1.70 -0.16 0.00 -0.01 0.00 0.00 54.79 52.91 1im3 n ASP 106 Cb 0.27 -0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.20 1im3 n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1im3 n TRP 107 N 0.06 0.00 -3.72 2.11 7.02 0.32 -5.00 117.44 118.23 1im3 n TRP 107 Ca 0.14 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.30 1im3 n TRP 107 Cb 0.25 -2.86 -0.05 0.00 -2.42 0.00 0.00 31.31 26.23 1im3 n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1im3 s ARG 108 N -3.29 3.60 -0.06 -0.99 0.52 -1.26 -4.80 118.95 112.67 1im3 s ARG 108 Ca 0.00 -0.12 -0.37 0.00 -0.52 0.00 0.00 55.73 54.72 1im3 s ARG 108 Cb 0.00 -2.93 -0.16 0.00 0.52 0.00 0.00 34.95 32.39 1im3 s ARG 108 CO 0.00 0.53 1.56 0.34 0.02 0.00 0.00 175.30 177.75 1im3 n PHE 109 N 0.35 1.86 -0.08 -0.53 -0.00 -1.26 -2.18 117.46 115.62 1im3 n PHE 109 Ca -0.05 0.51 -0.15 0.00 -0.00 0.00 0.00 57.45 57.76 1im3 n PHE 109 Cb 0.52 -2.43 -0.06 0.00 -0.00 0.00 0.00 39.48 37.50 1im3 n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1im3 n LEU 110 N 4.04 1.92 -3.49 -2.13 7.94 0.12 -4.84 117.00 120.57 1im3 n LEU 110 Ca 0.22 0.08 -0.14 0.00 -1.11 0.00 0.00 56.01 55.05 1im3 n LEU 110 Cb 0.19 -0.50 -0.04 0.00 0.53 0.00 0.00 43.42 43.59 1im3 n LEU 110 CO 0.70 0.52 0.48 -0.60 -1.11 0.00 0.00 177.39 177.37 1im3 s ARG 111 N -2.30 1.08 0.18 1.96 3.52 -1.09 -4.98 118.95 117.31 1im3 s ARG 111 Ca -0.22 -0.08 0.08 0.00 -0.13 0.00 0.00 55.73 55.38 1im3 s ARG 111 Cb 0.07 0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 33.92 1im3 s ARG 111 CO 0.31 -0.41 -0.16 0.20 -0.81 0.00 0.00 175.30 174.44 1im3 s GLY 112 N -1.89 1.38 0.02 8.12 0.00 -1.26 -0.69 107.32 112.99 1im3 s GLY 112 Ca -0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 44.72 43.10 1im3 s GLY 112 CO -0.01 -1.63 0.04 -0.19 0.00 0.00 0.00 173.10 171.31 1im3 s TYR 113 N -2.50 0.18 -0.29 1.90 1.51 0.02 -4.83 117.35 113.34 1im3 s TYR 113 Ca 0.18 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1im3 s TYR 113 Cb -0.03 -0.14 0.19 0.00 -0.11 0.00 0.00 41.96 41.87 1im3 s TYR 113 CO 0.06 -0.24 0.71 -1.58 -1.11 0.00 0.00 175.55 173.40 1im3 s HIS 114 N -1.53 -1.45 0.08 2.71 2.46 -1.25 -2.02 115.29 114.28 1im3 s HIS 114 Ca -0.15 1.05 -0.09 0.00 0.47 0.00 0.00 55.06 56.35 1im3 s HIS 114 Cb -0.08 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.69 1im3 s HIS 114 CO -0.00 -0.83 0.20 1.14 -2.47 0.00 0.00 174.74 172.77 1im3 s GLN 115 N 2.87 0.82 0.12 2.88 -2.07 -0.02 -0.98 119.66 123.29 1im3 s GLN 115 Ca 0.15 -0.89 0.06 0.00 -1.82 0.00 0.00 55.36 52.86 1im3 s GLN 115 Cb -0.10 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1im3 s GLN 115 CO -0.23 -0.26 -0.15 0.71 -1.32 0.00 0.00 175.29 174.05 1im3 s TYR 116 N -3.60 1.45 0.04 9.60 1.51 0.05 -0.97 117.35 125.44 1im3 s TYR 116 Ca 0.03 -0.53 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 1im3 s TYR 116 Cb 0.04 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 1im3 s TYR 116 CO -0.10 0.16 -0.09 0.00 -1.11 0.00 0.00 175.55 174.42 1im3 s ALA 117 N -2.00 0.64 -0.06 3.71 0.00 -0.06 -1.18 121.76 122.80 1im3 s ALA 117 Ca 0.09 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1im3 s ALA 117 Cb -0.06 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1im3 s ALA 117 CO 0.03 0.01 -0.10 -0.47 0.00 0.00 0.00 175.76 175.23 1im3 s TYR 118 N -1.34 1.28 -1.52 0.00 5.04 -0.39 -1.00 117.35 119.43 1im3 s TYR 118 Ca -0.09 -0.47 -0.09 0.00 -2.44 0.00 0.00 57.07 53.98 1im3 s TYR 118 Cb -0.10 -0.99 0.07 0.00 0.35 0.00 0.00 41.96 41.30 1im3 s TYR 118 CO 0.01 -0.28 0.69 -0.25 -1.34 0.00 0.00 175.55 174.38 1im3 n ASP 119 N 3.99 -2.36 0.00 4.32 8.00 0.02 -2.58 116.55 127.95 1im3 n ASP 119 Ca -0.22 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1im3 n ASP 119 Cb 0.51 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 1im3 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1im3 n GLY 120 N -1.69 0.85 3.22 0.44 0.00 -1.26 -5.02 105.19 101.72 1im3 n GLY 120 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1im3 n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1im3 s LYS 121 N -0.25 0.98 0.61 1.61 0.00 -1.06 -5.13 119.74 116.49 1im3 s LYS 121 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 55.97 54.37 1im3 s LYS 121 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 37.83 37.40 1im3 s LYS 121 CO 0.00 0.00 1.10 -0.25 0.00 0.00 0.00 175.35 176.20 1im3 n ASP 122 N -0.14 1.33 0.06 0.03 8.00 -1.26 -1.27 116.55 123.30 1im3 n ASP 122 Ca -0.10 0.82 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1im3 n ASP 122 Cb 0.61 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 1im3 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1im3 n TYR 123 N -1.75 -0.46 -3.68 1.24 9.36 -0.33 -4.61 117.16 116.93 1im3 n TYR 123 Ca 0.14 0.08 -0.14 0.00 3.32 0.00 0.00 57.90 61.31 1im3 n TYR 123 Cb 0.47 0.11 -0.07 0.00 -0.63 0.00 0.00 39.34 39.22 1im3 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1im3 s ILE 124 N -1.93 0.05 -0.04 2.97 2.07 -1.05 -0.87 121.20 122.39 1im3 s ILE 124 Ca 0.00 -0.40 -0.13 0.00 -1.41 0.00 0.00 60.65 58.71 1im3 s ILE 124 Cb 0.00 -0.84 0.02 0.00 0.13 0.00 0.00 42.46 41.78 1im3 s ILE 124 CO 0.00 -0.22 0.30 0.00 -1.91 0.00 0.00 174.94 173.10 1im3 s ALA 125 N -1.86 -0.74 -0.04 1.50 0.00 -0.80 -0.77 121.76 119.05 1im3 s ALA 125 Ca -0.09 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 1im3 s ALA 125 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1im3 s ALA 125 CO 0.02 -0.22 0.90 -1.17 0.00 0.00 0.00 175.76 175.28 1im3 s LEU 126 N -0.87 4.33 0.82 0.00 2.96 -0.15 -1.05 118.68 124.71 1im3 s LEU 126 Ca -0.10 1.49 -0.11 0.00 -0.22 0.00 0.00 54.13 55.19 1im3 s LEU 126 Cb -0.05 -3.41 0.08 0.00 0.50 0.00 0.00 46.19 43.31 1im3 s LEU 126 CO 0.03 -0.25 1.09 -0.54 -1.32 0.00 0.00 176.35 175.36 1im3 s LYS 127 N 1.13 1.92 0.61 1.98 1.02 0.19 -4.62 119.74 121.96 1im3 s LYS 127 Ca 0.47 0.95 0.30 0.00 0.02 0.00 0.00 55.97 57.71 1im3 s LYS 127 Cb -0.20 -1.87 1.67 0.00 -0.52 0.00 0.00 37.83 36.91 1im3 s LYS 127 CO 0.23 -1.82 2.04 1.49 -0.92 0.00 0.00 175.35 176.37 1im3 h GLU 128 N -1.25 0.00 0.00 1.68 4.81 -1.88 0.15 114.58 118.09 1im3 h GLU 128 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1im3 h GLU 128 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1im3 h GLU 128 CO 0.54 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.42 1im3 n ASP 129 N -3.57 0.00 -2.09 1.04 5.68 -1.26 -4.83 116.55 111.52 1im3 n ASP 129 Ca 0.02 -0.09 -0.18 0.00 -0.50 0.00 0.00 54.79 54.05 1im3 n ASP 129 Cb 0.40 -0.25 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 1im3 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1im3 n LEU 130 N -1.25 -1.55 0.00 -2.12 4.77 0.53 -4.76 117.00 112.62 1im3 n LEU 130 Ca 0.11 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1im3 n LEU 130 Cb 0.16 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 1im3 n LEU 130 CO 0.16 -0.46 -0.24 -1.14 -1.33 0.00 0.00 177.39 174.37 1im3 n ARG 131 N -2.67 1.04 -4.33 3.23 0.63 -1.26 -4.65 116.66 108.64 1im3 n ARG 131 Ca -0.20 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.49 1im3 n ARG 131 Cb 0.64 -0.74 -0.08 0.00 0.45 0.00 0.00 32.46 32.73 1im3 n ARG 131 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1im3 s SER 132 N -2.67 4.32 0.11 6.15 1.04 -1.26 -4.88 113.70 116.51 1im3 s SER 132 Ca 0.00 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.73 1im3 s SER 132 Cb 0.00 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 1im3 s SER 132 CO 0.00 -0.02 -0.03 0.26 0.98 0.00 0.00 173.24 174.43 1im3 s TRP 133 N -2.38 2.89 -0.31 5.02 0.52 -1.26 -0.64 118.94 122.79 1im3 s TRP 133 Ca 0.32 -0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.36 1im3 s TRP 133 Cb -0.06 -1.48 0.07 0.00 -1.15 0.00 0.00 33.47 30.85 1im3 s TRP 133 CO 0.19 0.47 -0.00 0.99 0.02 0.00 0.00 176.95 178.62 1im3 s THR 134 N -1.36 2.62 -0.14 2.01 2.01 -0.22 -4.90 115.64 115.67 1im3 s THR 134 Ca 0.25 -1.72 -0.25 0.00 0.31 0.00 0.00 61.69 60.28 1im3 s THR 134 Cb -0.11 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1im3 s THR 134 CO 0.17 -0.24 0.79 0.00 -0.69 0.00 0.00 174.62 174.66 1im3 s ALA 135 N 1.13 3.46 0.36 7.40 0.00 -1.26 -1.90 121.76 130.95 1im3 s ALA 135 Ca -0.02 0.06 0.17 0.00 0.00 0.00 0.00 51.96 52.17 1im3 s ALA 135 Cb -0.20 -3.15 0.92 0.00 0.00 0.00 0.00 23.12 20.69 1im3 s ALA 135 CO -0.04 -0.50 1.89 0.00 0.00 0.00 0.00 175.76 177.11 1im3 h ALA 136 N 7.20 1.35 -2.45 0.00 0.00 -1.31 -3.47 119.26 120.57 1im3 h ALA 136 Ca -0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1im3 h ALA 136 Cb 1.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1im3 h ALA 136 CO 0.81 0.36 -0.00 -0.40 0.00 0.00 0.00 179.25 180.02 1im3 n ASP 137 N -3.95 -0.03 0.03 0.00 5.68 -1.26 -5.04 116.55 111.98 1im3 n ASP 137 Ca -0.02 -1.03 -0.12 0.00 -0.50 0.00 0.00 54.79 53.12 1im3 n ASP 137 Cb 0.36 0.05 -0.08 0.00 -1.14 0.00 0.00 41.12 40.31 1im3 n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1im3 h MET 138 N 0.00 0.00 -0.43 0.11 1.85 -1.98 -3.04 114.93 111.44 1im3 h MET 138 Ca -0.01 -0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.16 1im3 h MET 138 Cb 0.02 -0.00 -0.07 0.00 0.43 0.00 0.00 31.60 31.99 1im3 h MET 138 CO 0.01 0.11 0.04 0.00 -0.40 0.00 0.00 176.91 176.67 1im3 h ALA 139 N 0.89 0.44 -0.09 0.39 0.00 -1.98 -1.31 119.26 117.60 1im3 h ALA 139 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1im3 h ALA 139 Cb 0.11 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1im3 h ALA 139 CO -0.00 -0.36 0.18 0.00 0.00 0.00 0.00 179.25 179.07 1im3 h ALA 140 N 1.36 1.47 -0.55 0.00 0.00 -1.82 -1.13 119.26 118.58 1im3 h ALA 140 Ca 0.22 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1im3 h ALA 140 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1im3 h ALA 140 CO -0.32 -0.23 0.37 1.96 0.00 0.00 0.00 179.25 181.03 1im3 h GLN 141 N 0.00 0.54 -0.21 0.00 1.08 -1.17 0.03 115.11 115.39 1im3 h GLN 141 Ca 0.04 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1im3 h GLN 141 Cb 0.40 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1im3 h GLN 141 CO -0.00 0.36 0.10 1.15 -0.95 0.00 0.00 178.83 179.49 1im3 h THR 142 N 0.56 1.14 -0.79 -0.54 2.02 -1.33 0.13 112.91 114.10 1im3 h THR 142 Ca 0.23 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1im3 h THR 142 Cb 0.21 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1im3 h THR 142 CO -0.06 0.14 0.39 0.74 0.37 0.00 0.00 175.52 177.10 1im3 h THR 143 N 0.20 1.25 -0.26 3.16 2.02 -1.45 0.04 112.91 117.86 1im3 h THR 143 Ca 0.07 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.61 1im3 h THR 143 Cb 0.13 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1im3 h THR 143 CO -0.01 0.29 0.09 0.50 0.37 0.00 0.00 175.52 176.75 1im3 h LYS 144 N 1.11 0.20 -0.37 6.66 3.64 -0.50 0.39 116.57 127.69 1im3 h LYS 144 Ca 0.27 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1im3 h LYS 144 Cb 0.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1im3 h LYS 144 CO -0.04 0.13 0.21 1.25 -2.27 0.00 0.00 179.45 178.73 1im3 h HIS 145 N 0.20 0.51 -0.59 1.91 2.76 -0.69 -1.05 115.15 118.20 1im3 h HIS 145 Ca 0.11 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1im3 h HIS 145 Cb 0.09 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.84 1im3 h HIS 145 CO -0.13 0.39 0.36 -0.22 -1.30 0.00 0.00 177.93 177.03 1im3 h LYS 146 N 0.48 0.70 -0.04 5.26 3.64 -0.32 -0.41 116.57 125.88 1im3 h LYS 146 Ca 0.13 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1im3 h LYS 146 Cb 0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1im3 h LYS 146 CO -0.02 0.46 -0.36 -1.49 -2.27 0.00 0.00 179.45 175.77 1im3 h TRP 147 N 0.72 0.09 -0.27 1.91 6.55 0.03 -1.13 115.95 123.86 1im3 h TRP 147 Ca 0.23 -0.02 -0.18 0.00 0.95 0.00 0.00 58.89 59.87 1im3 h TRP 147 Cb 0.01 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.29 1im3 h TRP 147 CO -0.05 0.44 -0.54 0.93 -1.05 0.00 0.00 178.44 178.16 1im3 h GLU 148 N 0.07 0.85 -0.21 0.49 5.08 -0.60 -0.78 114.58 119.48 1im3 h GLU 148 Ca 0.01 -0.55 -0.08 0.00 -1.00 0.00 0.00 59.36 57.74 1im3 h GLU 148 Cb 0.68 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1im3 h GLU 148 CO 0.05 1.18 -0.22 0.00 -1.00 0.00 0.00 179.01 179.02 1im3 h ALA 149 N 0.66 1.23 -0.26 3.43 0.00 -0.70 -2.87 119.26 120.75 1im3 h ALA 149 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1im3 h ALA 149 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1im3 h ALA 149 CO 0.12 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1im3 n ALA 150 N -2.48 2.48 -3.96 0.00 0.00 -0.46 -4.96 120.51 111.13 1im3 n ALA 150 Ca -0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 53.44 52.48 1im3 n ALA 150 Cb 0.37 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1im3 n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1im3 n HIS 151 N 0.69 -1.88 -0.13 0.00 -0.00 -0.37 -4.88 115.22 108.64 1im3 n HIS 151 Ca 0.17 0.82 -0.06 0.00 -0.00 0.00 0.00 57.72 58.64 1im3 n HIS 151 Cb 0.40 -3.73 0.12 0.00 -0.00 0.00 0.00 29.99 26.78 1im3 n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1im3 h VAL 152 N -1.83 1.25 -0.40 1.59 2.07 -1.66 -3.10 116.25 114.18 1im3 h VAL 152 Ca -0.61 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 65.83 1im3 h VAL 152 Cb 1.37 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1im3 h VAL 152 CO 0.66 0.39 0.24 0.00 0.02 0.00 0.00 177.57 178.88 1im3 h ALA 153 N 1.16 0.50 -0.90 1.67 0.00 -1.90 -0.41 119.26 119.39 1im3 h ALA 153 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1im3 h ALA 153 Cb 0.52 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1im3 h ALA 153 CO 0.03 -0.08 0.59 0.93 0.00 0.00 0.00 179.25 180.72 1im3 h GLU 154 N 0.50 1.11 -0.21 0.00 3.07 -1.84 0.11 114.58 117.33 1im3 h GLU 154 Ca 0.15 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 1im3 h GLU 154 Cb -0.02 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 27.64 1im3 h GLU 154 CO -0.06 0.74 -0.35 1.96 -1.40 0.00 0.00 179.01 179.90 1im3 h GLN 155 N 1.15 0.60 -0.51 2.33 4.20 -1.33 -2.87 115.11 118.69 1im3 h GLN 155 Ca 0.35 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1im3 h GLN 155 Cb -0.02 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1im3 h GLN 155 CO -0.10 0.98 0.20 -0.07 -0.67 0.00 0.00 178.83 179.17 1im3 h LEU 156 N 0.28 0.70 -0.46 1.46 3.38 -0.68 -2.70 115.31 117.29 1im3 h LEU 156 Ca 0.01 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1im3 h LEU 156 Cb 0.94 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1im3 h LEU 156 CO 0.08 0.69 0.25 -0.09 0.09 0.00 0.00 178.44 179.45 1im3 h ARG 157 N 0.68 0.48 -0.82 1.13 2.43 -0.81 0.32 114.38 117.79 1im3 h ARG 157 Ca 0.17 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1im3 h ARG 157 Cb 0.21 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1im3 h ARG 157 CO -0.01 0.32 0.52 0.00 -1.51 0.00 0.00 179.97 179.29 1im3 h ALA 158 N 1.23 1.08 -0.01 2.80 0.00 -1.40 -0.94 119.26 122.02 1im3 h ALA 158 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1im3 h ALA 158 Cb 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1im3 h ALA 158 CO -0.12 0.34 -0.00 -0.92 0.00 0.00 0.00 179.25 178.55 1im3 h TYR 159 N 1.02 0.03 -0.80 0.00 3.20 -0.99 -1.46 116.97 117.96 1im3 h TYR 159 Ca 0.33 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 1im3 h TYR 159 Cb 0.02 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1im3 h TYR 159 CO -0.03 0.40 0.50 -0.07 -1.64 0.00 0.00 178.16 177.32 1im3 h LEU 160 N -0.35 0.95 0.00 2.82 3.38 -0.14 0.17 115.31 122.13 1im3 h LEU 160 Ca 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1im3 h LEU 160 Cb 0.39 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1im3 h LEU 160 CO 0.00 0.72 -0.50 -0.33 0.09 0.00 0.00 178.44 178.42 1im3 h GLU 161 N 1.09 0.00 0.00 1.13 5.08 -1.25 -3.31 114.58 117.32 1im3 h GLU 161 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1im3 h GLU 161 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1im3 h GLU 161 CO -0.06 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1im3 n GLY 162 N 1.16 0.17 0.31 -3.84 0.00 -0.55 -4.66 105.19 97.80 1im3 n GLY 162 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1im3 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1im3 h THR 163 N 0.00 0.17 0.08 2.61 2.02 -1.61 0.97 112.91 117.15 1im3 h THR 163 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1im3 h THR 163 Cb 0.00 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1im3 h THR 163 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 1im3 h VAL 165 N -0.28 1.30 -0.48 0.00 -1.51 -1.53 -1.13 116.25 112.62 1im3 h VAL 165 Ca 0.03 -1.48 -0.03 0.00 -1.23 0.00 0.00 66.70 63.99 1im3 h VAL 165 Cb 0.31 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.06 1im3 h VAL 165 CO -0.09 0.45 0.19 -0.33 -1.23 0.00 0.00 177.57 176.56 1im3 h GLU 166 N 0.27 0.71 -0.00 5.19 5.08 -0.47 -0.92 114.58 124.43 1im3 h GLU 166 Ca 0.03 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 1im3 h GLU 166 Cb 0.80 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1im3 h GLU 166 CO 0.06 0.65 -0.81 -1.49 -1.00 0.00 0.00 179.01 176.42 1im3 h TRP 167 N 0.63 0.16 -0.67 4.33 4.06 -1.01 -2.28 115.95 121.17 1im3 h TRP 167 Ca 0.16 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 1im3 h TRP 167 Cb 0.20 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 1im3 h TRP 167 CO 0.00 0.87 0.40 1.25 -3.56 0.00 0.00 178.44 177.40 1im3 h LEU 168 N 0.06 0.81 -0.61 -4.49 5.85 -0.96 0.16 115.31 116.13 1im3 h LEU 168 Ca -0.02 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1im3 h LEU 168 Cb 1.41 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1im3 h LEU 168 CO 0.11 0.64 0.27 0.03 -0.34 0.00 0.00 178.44 179.15 1im3 h ARG 169 N 0.91 0.90 -0.79 1.25 3.08 -1.02 0.86 114.38 119.57 1im3 h ARG 169 Ca 0.24 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1im3 h ARG 169 Cb -0.02 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 1im3 h ARG 169 CO -0.04 0.74 0.50 -0.09 -1.07 0.00 0.00 179.97 180.01 1im3 h ARG 170 N 0.84 1.06 -0.39 0.04 2.43 -0.86 -1.54 114.38 115.96 1im3 h ARG 170 Ca 0.21 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1im3 h ARG 170 Cb 0.16 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1im3 h ARG 170 CO -0.02 0.73 -0.02 1.88 -1.51 0.00 0.00 179.97 181.03 1im3 h TYR 171 N 1.08 0.77 -1.00 2.20 0.05 -0.07 -0.81 116.97 119.19 1im3 h TYR 171 Ca 0.29 -0.14 0.05 0.00 0.05 0.00 0.00 58.73 58.98 1im3 h TYR 171 Cb -0.08 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.40 1im3 h TYR 171 CO -0.01 0.80 0.65 -0.07 -1.05 0.00 0.00 178.16 178.47 1im3 h LEU 172 N 0.52 1.06 0.15 3.88 3.38 -0.53 0.16 115.31 123.92 1im3 h LEU 172 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1im3 h LEU 172 Cb 0.50 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1im3 h LEU 172 CO 0.02 0.69 -0.07 -0.08 0.09 0.00 0.00 178.44 179.10 1im3 h GLU 173 N 1.21 -0.19 -0.88 1.13 4.57 -1.13 -0.23 114.58 119.06 1im3 h GLU 173 Ca 0.42 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.65 1im3 h GLU 173 Cb 0.10 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 1im3 h GLU 173 CO -0.15 0.26 0.58 -0.91 -1.18 0.00 0.00 179.01 177.60 1im3 h ASN 174 N -0.83 0.94 -0.58 1.04 2.35 -1.06 -1.55 115.58 115.90 1im3 h ASN 174 Ca -0.02 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1im3 h ASN 174 Cb 0.54 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1im3 h ASN 174 CO 0.03 0.64 0.02 0.61 -1.65 0.00 0.00 177.43 177.09 1im3 n GLY 175 N -1.40 3.00 0.35 2.83 0.00 0.55 -4.69 105.19 105.83 1im3 n GLY 175 Ca 0.12 -0.91 0.19 0.00 0.00 0.00 0.00 46.02 45.41 1im3 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1im3 h LYS 176 N 3.82 0.53 -0.04 1.61 2.10 0.05 0.27 116.57 124.91 1im3 h LYS 176 Ca 0.02 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1im3 h LYS 176 Cb 1.98 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 33.19 1im3 h LYS 176 CO 0.50 0.35 0.06 0.93 -2.00 0.00 0.00 179.45 179.29 1im3 h GLU 177 N 0.55 0.00 0.00 0.07 4.39 -1.84 -1.48 114.58 116.26 1im3 h GLU 177 Ca 0.65 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.35 1im3 h GLU 177 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1im3 h GLU 177 CO -0.48 0.00 -0.93 0.25 -1.16 0.00 0.00 179.01 176.69 1im3 n THR 178 N -3.66 0.00 -0.08 1.13 -2.24 0.06 -4.43 114.28 105.05 1im3 n THR 178 Ca -0.02 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1im3 n THR 178 Cb 0.14 0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 1im3 n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1im3 n LEU 179 N -1.42 1.22 -0.40 3.22 4.77 0.74 -4.51 117.00 120.60 1im3 n LEU 179 Ca 0.00 0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1im3 n LEU 179 Cb 0.00 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1im3 n LEU 179 CO 0.00 0.63 0.25 0.00 -1.33 0.00 0.00 177.39 176.94 1im3 n GLN 180 N -3.01 0.98 -3.38 3.23 6.02 -0.57 -4.94 117.38 115.71 1im3 n GLN 180 Ca -0.33 -0.81 -0.22 0.00 -0.01 0.00 0.00 57.00 55.63 1im3 n GLN 180 Cb 1.08 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.86 1im3 n GLN 180 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1im3 s ARG 181 N -2.58 3.27 0.26 -1.09 0.52 -1.17 -4.97 118.95 113.20 1im3 s ARG 181 Ca 0.17 -0.61 0.11 0.00 -0.52 0.00 0.00 55.73 54.88 1im3 s ARG 181 Cb 0.18 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.89 1im3 s ARG 181 CO 0.63 0.05 -0.17 0.95 0.02 0.00 0.00 175.30 176.77 1im3 s THR 182 N -2.30 2.62 -0.21 0.02 -4.23 -1.26 -4.75 115.64 105.53 1im3 s THR 182 Ca 0.43 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1im3 s THR 182 Cb -0.10 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.43 1im3 s THR 182 CO 0.34 -0.35 -0.07 -1.81 -0.54 0.00 0.00 174.62 172.19 1im3 s ASP 183 N -3.40 3.49 0.47 3.99 1.11 0.06 -4.95 116.67 117.44 1im3 s ASP 183 Ca 0.29 -0.97 -0.22 0.00 0.18 0.00 0.00 52.55 51.83 1im3 s ASP 183 Cb -0.06 -1.15 -0.07 0.00 1.07 0.00 0.00 42.92 42.70 1im3 s ASP 183 CO 0.15 -0.19 1.12 0.00 1.18 0.00 0.00 175.17 177.43 1im3 s ALA 184 N 1.44 2.93 0.27 5.23 0.00 -1.26 -1.12 121.76 129.24 1im3 s ALA 184 Ca -0.03 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1im3 s ALA 184 Cb -0.17 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 1im3 s ALA 184 CO -0.07 -0.55 1.17 -1.25 0.00 0.00 0.00 175.76 175.05 1im3 s PRO 185 N -2.84 4.55 -0.25 0.00 0.04 -1.26 -4.45 135.00 130.78 1im3 s PRO 185 Ca 0.65 1.91 -0.17 0.00 0.04 0.00 0.00 61.00 63.43 1im3 s PRO 185 Cb -0.25 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1im3 s PRO 185 CO 0.30 0.06 0.45 0.15 0.04 0.00 0.00 177.00 177.99 1im3 s LYS 186 N -1.25 4.07 0.22 4.56 1.02 0.17 -4.82 119.74 123.72 1im3 s LYS 186 Ca 0.47 0.21 0.09 0.00 0.02 0.00 0.00 55.97 56.76 1im3 s LYS 186 Cb -0.34 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 1im3 s LYS 186 CO 0.43 -0.27 -0.07 0.95 -0.92 0.00 0.00 175.35 175.47 1im3 s THR 187 N 2.03 3.25 0.06 2.17 -4.23 -1.26 -1.35 115.64 116.31 1im3 s THR 187 Ca 0.19 -1.81 -0.28 0.00 -1.18 0.00 0.00 61.69 58.62 1im3 s THR 187 Cb -0.16 -2.67 0.09 0.00 1.34 0.00 0.00 72.50 71.11 1im3 s THR 187 CO 0.09 -0.23 0.98 -1.38 -0.54 0.00 0.00 174.62 173.54 1im3 s HIS 188 N -2.00 -0.20 0.03 3.99 -3.43 -1.13 -5.01 115.29 107.54 1im3 s HIS 188 Ca 0.28 -0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.59 1im3 s HIS 188 Cb -0.08 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.64 1im3 s HIS 188 CO 0.17 -0.63 -0.17 1.41 -2.00 0.00 0.00 174.74 173.52 1im3 s MET 189 N -3.08 1.21 0.19 -0.38 1.75 -1.26 -0.56 119.30 117.16 1im3 s MET 189 Ca 0.10 -0.78 0.11 0.00 -1.25 0.00 0.00 55.69 53.87 1im3 s MET 189 Cb -0.01 -1.24 -0.04 0.00 2.84 0.00 0.00 34.83 36.38 1im3 s MET 189 CO -0.03 0.32 -0.23 0.95 -0.65 0.00 0.00 175.02 175.38 1im3 s THR 190 N -0.70 2.29 -0.08 10.11 -4.23 0.01 -4.96 115.64 118.08 1im3 s THR 190 Ca 0.05 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1im3 s THR 190 Cb -0.08 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1im3 s THR 190 CO 0.01 -0.13 -0.20 -2.28 -0.54 0.00 0.00 174.62 171.48 1im3 s HIS 191 N -1.69 2.16 -0.12 3.99 2.46 -1.26 -0.88 115.29 119.95 1im3 s HIS 191 Ca 0.20 -0.85 -0.01 0.00 0.47 0.00 0.00 55.06 54.87 1im3 s HIS 191 Cb -0.08 -1.47 0.04 0.00 -0.13 0.00 0.00 32.58 30.94 1im3 s HIS 191 CO 0.09 -0.35 -0.01 -1.01 -2.47 0.00 0.00 174.74 170.99 1im3 s HIS 192 N 0.42 1.01 -0.06 3.88 3.76 -0.51 -4.99 115.29 118.79 1im3 s HIS 192 Ca -0.16 -0.53 -0.30 0.00 -0.15 0.00 0.00 55.06 53.92 1im3 s HIS 192 Cb -0.17 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 1im3 s HIS 192 CO 0.07 -0.46 1.38 0.00 -0.85 0.00 0.00 174.74 174.88 1im3 s ALA 193 N 1.86 3.60 -0.00 -1.40 0.00 -1.26 -0.41 121.76 124.14 1im3 s ALA 193 Ca 0.03 0.75 0.11 0.00 0.00 0.00 0.00 51.96 52.86 1im3 s ALA 193 Cb -0.14 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.21 1im3 s ALA 193 CO -0.07 -1.04 1.09 0.28 0.00 0.00 0.00 175.76 176.03 1im3 h VAL 194 N 5.18 1.18 -0.44 0.00 2.07 -1.46 -3.47 116.25 119.29 1im3 h VAL 194 Ca -0.35 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.34 1im3 h VAL 194 Cb 1.16 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1im3 h VAL 194 CO 0.92 0.67 0.00 -1.54 0.02 0.00 0.00 177.57 177.64 1im3 n SER 195 N -3.19 0.00 0.16 0.57 3.41 -1.00 -4.94 113.62 108.63 1im3 n SER 195 Ca -0.05 -0.22 0.13 0.00 -0.26 0.00 0.00 58.87 58.47 1im3 n SER 195 Cb 0.92 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 65.23 1im3 n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1im3 h ASP 196 N 0.00 0.00 0.00 4.04 3.32 -2.03 -3.34 116.42 118.40 1im3 h ASP 196 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1im3 h ASP 196 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1im3 h ASP 196 CO 0.00 0.00 -2.04 1.41 -1.72 0.00 0.00 179.24 176.89 1im3 n HIS 197 N -2.59 0.00 -4.11 4.55 8.25 -1.26 -4.71 115.22 115.35 1im3 n HIS 197 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 1im3 n HIS 197 Cb 0.43 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 30.82 1im3 n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1im3 s GLU 198 N -3.07 0.67 0.03 -0.41 2.02 -1.26 -1.34 118.70 115.35 1im3 s GLU 198 Ca -0.08 -1.16 -0.04 0.00 0.02 0.00 0.00 54.97 53.71 1im3 s GLU 198 Cb 0.10 -0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.28 1im3 s GLU 198 CO 0.81 -0.04 0.05 0.00 0.02 0.00 0.00 175.26 176.10 1im3 s ALA 199 N -3.26 0.01 -0.19 5.21 0.00 0.62 -1.15 121.76 123.01 1im3 s ALA 199 Ca 0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1im3 s ALA 199 Cb 0.03 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1im3 s ALA 199 CO -0.06 -0.26 -0.01 0.99 0.00 0.00 0.00 175.76 176.42 1im3 s THR 200 N -2.27 3.97 -0.19 0.00 2.01 0.45 0.17 115.64 119.79 1im3 s THR 200 Ca -0.08 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 1im3 s THR 200 Cb -0.03 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1im3 s THR 200 CO -0.03 0.45 0.03 -0.76 -0.69 0.00 0.00 174.62 173.62 1im3 s LEU 201 N 0.79 3.52 -0.13 4.42 1.43 -0.32 -1.43 118.68 126.97 1im3 s LEU 201 Ca 0.00 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1im3 s LEU 201 Cb -0.14 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1im3 s LEU 201 CO 0.02 0.11 -0.22 -0.60 0.23 0.00 0.00 176.35 175.90 1im3 s ARG 202 N 0.72 2.95 -0.26 1.70 3.52 -0.06 -1.49 118.95 126.03 1im3 s ARG 202 Ca 0.02 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 1im3 s ARG 202 Cb -0.14 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.84 1im3 s ARG 202 CO 0.02 0.01 0.18 0.00 -0.81 0.00 0.00 175.30 174.70 1im3 s TRP 204 N 1.50 3.30 -0.16 0.00 0.52 0.27 -1.48 118.94 122.89 1im3 s TRP 204 Ca 0.07 0.30 -0.00 0.00 0.02 0.00 0.00 56.10 56.49 1im3 s TRP 204 Cb -0.15 -1.84 0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1im3 s TRP 204 CO 0.08 0.55 -0.06 0.00 0.02 0.00 0.00 176.95 177.54 1im3 s ALA 205 N -0.91 1.50 0.15 0.98 0.00 0.14 -2.81 121.76 120.81 1im3 s ALA 205 Ca 0.14 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1im3 s ALA 205 Cb -0.12 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1im3 s ALA 205 CO 0.03 -0.71 -0.15 -0.51 0.00 0.00 0.00 175.76 174.42 1im3 s LEU 206 N 1.63 2.45 -1.47 0.00 1.43 -0.45 -1.16 118.68 121.10 1im3 s LEU 206 Ca 0.01 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1im3 s LEU 206 Cb -0.15 -0.66 0.06 0.00 0.03 0.00 0.00 46.19 45.47 1im3 s LEU 206 CO -0.08 -0.12 1.00 -0.24 0.23 0.00 0.00 176.35 177.14 1im3 n SER 207 N 0.25 -4.69 -4.73 2.29 2.88 -0.80 -0.65 113.62 108.17 1im3 n SER 207 Ca -0.13 -0.73 -0.23 0.00 -1.33 0.00 0.00 58.87 56.44 1im3 n SER 207 Cb 0.58 -4.16 -0.06 0.00 -0.75 0.00 0.00 64.21 59.82 1im3 n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1im3 s PHE 208 N -3.35 2.92 -0.22 0.66 -0.12 -0.94 -4.61 117.98 112.33 1im3 s PHE 208 Ca 0.57 -0.15 -0.17 0.00 -0.05 0.00 0.00 56.93 57.13 1im3 s PHE 208 Cb -0.28 -1.33 0.06 0.00 -0.63 0.00 0.00 43.02 40.85 1im3 s PHE 208 CO 0.81 0.56 0.56 -0.47 -0.05 0.00 0.00 175.22 176.63 1im3 s TYR 209 N -2.13 -0.72 1.20 3.49 5.04 -0.28 -0.18 117.35 123.78 1im3 s TYR 209 Ca 0.31 1.62 -0.19 0.00 -2.44 0.00 0.00 57.07 56.37 1im3 s TYR 209 Cb -0.08 0.32 0.29 0.00 0.35 0.00 0.00 41.96 42.84 1im3 s TYR 209 CO 0.22 -0.36 1.09 -1.25 -1.34 0.00 0.00 175.55 173.91 1im3 s PRO 210 N 0.85 -1.23 0.28 4.97 0.04 -1.26 -0.76 135.00 137.90 1im3 s PRO 210 Ca -0.04 0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.05 1im3 s PRO 210 Cb -0.05 -1.59 0.42 0.00 0.04 0.00 0.00 34.50 33.32 1im3 s PRO 210 CO -0.07 -3.73 1.73 0.00 0.04 0.00 0.00 177.00 174.96 1im3 h ALA 211 N -2.60 1.11 -1.85 8.56 0.00 -1.96 -3.44 119.26 119.09 1im3 h ALA 211 Ca -0.46 -0.34 -0.66 0.00 0.00 0.00 0.00 54.91 53.44 1im3 h ALA 211 Cb 1.30 -0.12 0.04 0.00 0.00 0.00 0.00 17.79 19.02 1im3 h ALA 211 CO 0.36 0.55 0.73 -1.91 0.00 0.00 0.00 179.25 178.98 1im3 n GLU 212 N -4.12 1.54 -3.49 0.00 4.07 -1.26 -4.95 120.64 112.43 1im3 n GLU 212 Ca -0.00 0.56 -0.12 0.00 -0.06 0.00 0.00 57.16 57.54 1im3 n GLU 212 Cb 0.41 -2.27 -0.03 0.00 -0.06 0.00 0.00 31.44 29.48 1im3 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1im3 s ILE 213 N 1.76 0.00 -0.10 6.31 2.07 -1.26 -4.73 121.20 125.26 1im3 s ILE 213 Ca 0.87 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 60.11 1im3 s ILE 213 Cb -0.87 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.74 1im3 s ILE 213 CO 0.49 0.00 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.59 1im3 s THR 214 N -2.62 0.79 -0.20 4.00 2.01 -0.81 -5.01 115.64 113.79 1im3 s THR 214 Ca -0.01 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1im3 s THR 214 Cb -0.01 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.64 1im3 s THR 214 CO -0.05 0.33 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.37 1im3 s LEU 215 N 1.78 2.74 0.02 4.42 1.02 -1.26 -1.15 118.68 126.25 1im3 s LEU 215 Ca 0.05 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.79 1im3 s LEU 215 Cb -0.12 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 1im3 s LEU 215 CO -0.07 0.01 -0.07 0.42 0.02 0.00 0.00 176.35 176.67 1im3 s THR 216 N 1.26 0.51 -0.03 5.49 -4.23 -0.40 -4.97 115.64 113.26 1im3 s THR 216 Ca 0.03 -0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1im3 s THR 216 Cb -0.14 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 1im3 s THR 216 CO -0.03 -0.12 0.10 0.26 -0.54 0.00 0.00 174.62 174.29 1im3 s TRP 217 N -0.73 3.38 0.05 3.99 0.52 -1.26 0.12 118.94 125.00 1im3 s TRP 217 Ca -0.03 0.29 0.04 0.00 0.02 0.00 0.00 56.10 56.41 1im3 s TRP 217 Cb -0.06 -1.79 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1im3 s TRP 217 CO 0.00 0.59 -0.11 -0.65 0.02 0.00 0.00 176.95 176.80 1im3 s GLN 218 N -1.58 0.72 -0.16 4.98 -0.21 0.17 -0.28 119.66 123.30 1im3 s GLN 218 Ca 0.22 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.82 1im3 s GLN 218 Cb -0.12 -0.65 0.02 0.00 1.00 0.00 0.00 33.01 33.26 1im3 s GLN 218 CO 0.12 0.15 -0.16 0.50 -2.12 0.00 0.00 175.29 173.78 1im3 s ARG 219 N -1.40 2.48 -1.48 2.91 3.52 0.03 -0.93 118.95 124.08 1im3 s ARG 219 Ca -0.03 -0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 54.79 1im3 s ARG 219 Cb -0.09 -2.27 0.06 0.00 -1.56 0.00 0.00 34.95 31.10 1im3 s ARG 219 CO 0.01 -0.25 0.97 -0.25 -0.81 0.00 0.00 175.30 174.98 1im3 n ASP 220 N 4.72 -4.46 -0.35 -2.12 8.00 -0.33 -1.40 116.55 120.60 1im3 n ASP 220 Ca -0.18 -0.76 -0.05 0.00 0.71 0.00 0.00 54.79 54.52 1im3 n ASP 220 Cb 0.50 -4.05 -0.02 0.00 -0.02 0.00 0.00 41.12 37.53 1im3 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1im3 n GLY 221 N -1.71 0.71 3.18 0.44 0.00 -1.26 -5.01 105.19 101.53 1im3 n GLY 221 Ca -0.01 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1im3 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1im3 s GLU 222 N -1.88 3.03 0.23 1.61 2.12 -0.49 -5.04 118.70 118.27 1im3 s GLU 222 Ca 0.00 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 1im3 s GLU 222 Cb 0.00 -2.42 -0.15 0.00 0.26 0.00 0.00 34.13 31.82 1im3 s GLU 222 CO 0.00 0.02 0.93 -0.25 -0.54 0.00 0.00 175.26 175.42 1im3 n ASP 223 N 3.98 0.64 -4.03 -1.70 8.00 -1.26 -0.79 116.55 121.38 1im3 n ASP 223 Ca -0.20 1.16 -0.28 0.00 0.71 0.00 0.00 54.79 56.18 1im3 n ASP 223 Cb 0.52 -1.17 -0.17 0.00 -0.02 0.00 0.00 41.12 40.28 1im3 n ASP 223 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1im3 s GLN 224 N -1.05 2.13 -0.10 -1.24 -1.52 0.62 -4.76 119.66 113.74 1im3 s GLN 224 Ca 0.65 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 53.54 1im3 s GLN 224 Cb -0.82 -1.86 -0.07 0.00 -0.22 0.00 0.00 33.01 30.04 1im3 s GLN 224 CO 0.57 -0.10 -0.10 2.41 -0.25 0.00 0.00 175.29 177.82 1im3 n THR 225 N 4.34 0.59 -1.92 -0.19 -1.04 -1.26 -4.37 114.28 110.43 1im3 n THR 225 Ca -0.18 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.20 1im3 n THR 225 Cb 0.51 -0.95 -0.01 0.00 -1.82 0.00 0.00 70.33 68.06 1im3 n THR 225 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1im3 s GLN 226 N -2.21 4.20 -1.73 -2.82 0.74 -1.26 -2.60 119.66 113.99 1im3 s GLN 226 Ca -0.14 2.44 0.00 0.00 0.05 0.00 0.00 55.36 57.71 1im3 s GLN 226 Cb 0.04 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 31.14 1im3 s GLN 226 CO 0.23 -0.42 0.00 -0.25 -0.55 0.00 0.00 175.29 174.31 1im3 n ASP 227 N 0.76 -5.01 -4.61 6.67 10.43 -1.26 -4.87 116.55 118.66 1im3 n ASP 227 Ca 0.01 0.35 -0.24 0.00 2.57 0.00 0.00 54.79 57.48 1im3 n ASP 227 Cb 0.40 -4.00 -0.08 0.00 1.84 0.00 0.00 41.12 39.28 1im3 n ASP 227 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1im3 s THR 228 N -2.66 3.32 -0.01 -3.53 -4.23 -1.07 -0.87 115.64 106.60 1im3 s THR 228 Ca 0.00 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1im3 s THR 228 Cb 0.00 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1im3 s THR 228 CO 0.00 -0.29 0.01 -0.70 -0.54 0.00 0.00 174.62 173.10 1im3 s GLU 229 N -3.39 0.05 -0.15 3.99 2.12 0.19 -4.95 118.70 116.56 1im3 s GLU 229 Ca 0.29 0.06 -0.00 0.00 0.36 0.00 0.00 54.97 55.68 1im3 s GLU 229 Cb -0.07 -0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.19 1im3 s GLU 229 CO 0.18 -0.06 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.58 1im3 s LEU 230 N 0.47 1.64 0.63 2.70 2.96 -1.26 0.40 118.68 126.23 1im3 s LEU 230 Ca -0.04 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.20 1im3 s LEU 230 Cb -0.06 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 1im3 s LEU 230 CO -0.01 -0.13 1.00 0.68 -1.32 0.00 0.00 176.35 176.56 1im3 s VAL 231 N 1.58 3.98 0.35 1.68 -7.23 -1.06 -5.02 120.40 114.67 1im3 s VAL 231 Ca 0.02 0.43 -0.28 0.00 -1.81 0.00 0.00 61.98 60.34 1im3 s VAL 231 Cb -0.14 -3.61 -0.10 0.00 0.56 0.00 0.00 36.38 33.09 1im3 s VAL 231 CO -0.09 -0.74 1.28 -0.70 -0.31 0.00 0.00 175.10 174.55 1im3 s GLU 232 N -5.16 4.29 0.38 4.82 2.12 -1.26 -4.68 118.70 119.20 1im3 s GLU 232 Ca 0.55 2.15 -0.28 0.00 0.36 0.00 0.00 54.97 57.76 1im3 s GLU 232 Cb -0.11 -3.00 -0.11 0.00 0.26 0.00 0.00 34.13 31.18 1im3 s GLU 232 CO 0.50 -0.22 1.47 0.99 -0.54 0.00 0.00 175.26 177.46 1im3 s THR 233 N -1.18 2.08 0.06 -1.70 2.01 -1.26 -4.84 115.64 110.80 1im3 s THR 233 Ca 0.51 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.61 1im3 s THR 233 Cb -0.38 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1im3 s THR 233 CO 0.50 0.02 -0.09 0.00 -0.69 0.00 0.00 174.62 174.36 1im3 s ARG 234 N -2.12 0.62 0.13 4.92 1.70 0.14 -4.96 118.95 119.38 1im3 s ARG 234 Ca 0.53 -0.86 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 1im3 s ARG 234 Cb -0.46 -0.39 -0.07 0.00 -0.57 0.00 0.00 34.95 33.46 1im3 s ARG 234 CO 0.62 0.07 1.10 -1.25 -1.08 0.00 0.00 175.30 174.76 1im3 s PRO 235 N -1.87 4.57 0.38 3.89 0.04 -1.26 -0.25 135.00 140.49 1im3 s PRO 235 Ca -0.06 1.67 0.20 0.00 0.04 0.00 0.00 61.00 62.86 1im3 s PRO 235 Cb -0.08 -3.32 0.39 0.00 0.04 0.00 0.00 34.50 31.53 1im3 s PRO 235 CO 0.00 0.00 1.60 0.00 0.04 0.00 0.00 177.00 178.65 1im3 h ALA 236 N 5.69 0.86 0.00 8.56 0.00 -1.38 -3.47 119.26 129.52 1im3 h ALA 236 Ca -0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1im3 h ALA 236 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1im3 h ALA 236 CO 0.75 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.74 1im3 n GLY 237 N 0.91 0.47 0.42 0.00 0.00 -1.26 -4.92 105.19 100.80 1im3 n GLY 237 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1im3 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1im3 n ASP 238 N 0.00 2.74 0.00 1.61 5.68 -1.26 -4.95 116.55 120.37 1im3 n ASP 238 Ca 0.00 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 1im3 n ASP 238 Cb 0.00 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1im3 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1im3 n GLY 239 N -0.23 1.98 3.95 6.12 0.00 -1.26 -5.08 105.19 110.67 1im3 n GLY 239 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1im3 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1im3 s THR 240 N -2.40 2.26 0.30 2.61 -4.23 -1.26 -4.88 115.64 108.05 1im3 s THR 240 Ca 0.00 -1.22 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 1im3 s THR 240 Cb 0.00 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.29 1im3 s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 1im3 s PHE 241 N -2.60 2.00 0.07 3.99 0.08 0.75 -1.00 117.98 121.27 1im3 s PHE 241 Ca 0.50 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.83 1im3 s PHE 241 Cb -0.05 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1im3 s PHE 241 CO 0.30 0.26 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.97 1im3 s GLN 242 N -3.75 0.68 -0.19 0.44 -0.21 0.65 -1.91 119.66 115.38 1im3 s GLN 242 Ca 0.31 -1.09 -0.29 0.00 0.02 0.00 0.00 55.36 54.31 1im3 s GLN 242 Cb 0.05 -0.17 0.12 0.00 1.00 0.00 0.00 33.01 34.01 1im3 s GLN 242 CO 0.13 -0.01 0.99 0.21 -2.12 0.00 0.00 175.29 174.49 1im3 s LYS 243 N -2.97 0.60 0.05 2.91 2.20 -0.31 -0.68 119.74 121.53 1im3 s LYS 243 Ca 0.03 0.29 -0.00 0.00 -0.36 0.00 0.00 55.97 55.92 1im3 s LYS 243 Cb -0.00 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 1im3 s LYS 243 CO -0.03 -0.16 -0.03 1.67 -0.36 0.00 0.00 175.35 176.43 1im3 s TRP 244 N -0.72 0.51 -0.02 4.03 1.48 -1.26 -0.68 118.94 122.27 1im3 s TRP 244 Ca -0.01 -0.93 0.02 0.00 -1.06 0.00 0.00 56.10 54.12 1im3 s TRP 244 Cb -0.02 -0.36 0.00 0.00 -1.16 0.00 0.00 33.47 31.93 1im3 s TRP 244 CO -0.00 -0.31 -0.07 0.00 -4.06 0.00 0.00 176.95 172.50 1im3 s ALA 245 N -3.34 0.72 0.16 2.67 0.00 -0.55 -2.55 121.76 118.88 1im3 s ALA 245 Ca 0.02 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 51.82 1im3 s ALA 245 Cb 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1im3 s ALA 245 CO -0.07 0.11 -0.20 0.00 0.00 0.00 0.00 175.76 175.60 1im3 s ALA 246 N 0.23 2.08 -0.06 0.00 0.00 0.16 0.11 121.76 124.29 1im3 s ALA 246 Ca -0.03 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 1im3 s ALA 246 Cb -0.08 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1im3 s ALA 246 CO 0.00 0.29 0.13 0.54 0.00 0.00 0.00 175.76 176.72 1im3 s VAL 247 N -1.87 -0.03 -0.25 0.00 0.11 -0.56 0.58 120.40 118.38 1im3 s VAL 247 Ca 0.16 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.16 1im3 s VAL 247 Cb -0.07 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1im3 s VAL 247 CO 0.07 0.05 0.44 -0.69 -3.33 0.00 0.00 175.10 171.64 1im3 s VAL 248 N 0.81 5.13 0.22 2.04 1.01 -0.05 -1.17 120.40 128.40 1im3 s VAL 248 Ca -0.06 0.75 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1im3 s VAL 248 Cb -0.08 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1im3 s VAL 248 CO -0.04 0.15 -0.17 0.68 0.00 0.00 0.00 175.10 175.72 1im3 s VAL 249 N 1.96 2.01 0.32 2.92 -7.23 0.13 -4.92 120.40 115.58 1im3 s VAL 249 Ca 0.19 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 1im3 s VAL 249 Cb -0.15 -2.08 -0.10 0.00 0.56 0.00 0.00 36.38 34.60 1im3 s VAL 249 CO 0.09 -0.45 1.21 -2.84 -0.31 0.00 0.00 175.10 172.81 1im3 s PRO 250 N -3.37 4.43 0.31 4.82 0.02 -1.26 -0.27 135.00 139.68 1im3 s PRO 250 Ca 0.23 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.98 1im3 s PRO 250 Cb -0.03 -3.08 -0.12 0.00 0.02 0.00 0.00 34.50 31.29 1im3 s PRO 250 CO 0.09 -0.05 1.45 0.43 -0.33 0.00 0.00 177.00 178.59 1im3 n SER 251 N 0.87 3.27 0.00 2.53 7.64 -0.45 -1.34 113.62 126.15 1im3 n SER 251 Ca -0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1im3 n SER 251 Cb 0.43 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1im3 n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1im3 n GLY 252 N 1.50 1.52 0.98 0.23 0.00 -1.26 -4.87 105.19 103.29 1im3 n GLY 252 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1im3 n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1im3 n GLN 253 N -2.00 2.76 -0.22 1.61 6.02 -0.45 -4.70 117.38 120.40 1im3 n GLN 253 Ca 0.00 -2.33 -0.00 0.00 -0.01 0.00 0.00 57.00 54.66 1im3 n GLN 253 Cb 0.00 -1.41 0.11 0.00 1.02 0.00 0.00 30.24 29.96 1im3 n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1im3 h GLU 254 N 3.13 0.54 0.00 -1.09 3.07 -1.90 -2.67 114.58 115.67 1im3 h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1im3 h GLU 254 Cb 0.85 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1im3 h GLU 254 CO 0.00 0.36 0.00 1.96 -1.40 0.00 0.00 179.01 179.93 1im3 h GLN 255 N 0.56 0.00 0.00 2.33 1.08 -1.87 -2.17 115.11 115.04 1im3 h GLN 255 Ca 0.31 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 1im3 h GLN 255 Cb 0.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1im3 h GLN 255 CO -0.25 0.00 -0.05 0.00 -0.95 0.00 0.00 178.83 177.58 1im3 h ARG 256 N 0.00 0.00 -6.02 1.46 3.08 -1.84 -3.46 114.38 107.60 1im3 h ARG 256 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1im3 h ARG 256 Cb 0.02 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1im3 h ARG 256 CO 0.00 0.05 -0.14 0.71 -1.07 0.00 0.00 179.97 179.52 1im3 s TYR 257 N -3.37 3.70 0.02 3.04 1.51 -0.82 -1.19 117.35 120.25 1im3 s TYR 257 Ca 0.04 1.06 0.03 0.00 -1.01 0.00 0.00 57.07 57.19 1im3 s TYR 257 Cb 0.07 -2.41 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 1im3 s TYR 257 CO 0.63 0.52 -0.10 0.95 -1.11 0.00 0.00 175.55 176.44 1im3 s THR 258 N -0.70 0.79 -0.15 -0.71 -4.23 -0.10 -4.33 115.64 106.21 1im3 s THR 258 Ca 0.26 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 60.03 1im3 s THR 258 Cb -0.17 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1im3 s THR 258 CO 0.14 0.03 0.02 0.00 -0.54 0.00 0.00 174.62 174.28 1im3 s HIS 260 N 0.04 2.78 -0.21 0.00 3.76 0.12 -0.62 115.29 121.15 1im3 s HIS 260 Ca 0.04 -0.91 -0.02 0.00 -0.15 0.00 0.00 55.06 54.01 1im3 s HIS 260 Cb -0.13 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1im3 s HIS 260 CO 0.02 -0.39 -0.09 0.08 -0.85 0.00 0.00 174.74 173.51 1im3 s VAL 261 N 0.64 2.98 -0.12 -0.90 1.01 -0.31 -1.28 120.40 122.43 1im3 s VAL 261 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1im3 s VAL 261 Cb -0.16 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1im3 s VAL 261 CO 0.02 0.46 -0.13 -1.10 0.00 0.00 0.00 175.10 174.35 1im3 s GLN 262 N 1.42 3.24 -0.23 2.72 -0.21 -0.30 -1.42 119.66 124.88 1im3 s GLN 262 Ca 0.06 -0.68 -0.26 0.00 0.02 0.00 0.00 55.36 54.49 1im3 s GLN 262 Cb -0.14 -2.59 0.08 0.00 1.00 0.00 0.00 33.01 31.36 1im3 s GLN 262 CO -0.06 0.28 0.77 -1.58 -2.12 0.00 0.00 175.29 172.58 1im3 s HIS 263 N 0.16 -0.71 0.46 0.91 2.46 -1.26 -1.92 115.29 115.39 1im3 s HIS 263 Ca -0.07 1.63 0.36 0.00 0.47 0.00 0.00 55.06 57.45 1im3 s HIS 263 Cb -0.15 0.31 1.98 0.00 -0.13 0.00 0.00 32.58 34.59 1im3 s HIS 263 CO 0.05 -0.40 2.11 0.93 -2.47 0.00 0.00 174.74 174.96 1im3 h GLU 264 N 4.44 0.00 -0.12 2.88 5.08 -1.94 -1.25 114.58 123.67 1im3 h GLU 264 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1im3 h GLU 264 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1im3 h GLU 264 CO 0.13 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.55 1im3 n GLY 265 N -1.16 -0.22 3.42 -3.84 0.00 -1.26 -4.83 105.19 97.31 1im3 n GLY 265 Ca -0.02 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1im3 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1im3 s LEU 266 N -1.41 2.77 0.33 0.99 1.43 -0.48 -4.36 118.68 117.95 1im3 s LEU 266 Ca 0.26 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1im3 s LEU 266 Cb 0.13 -1.60 0.65 0.00 0.03 0.00 0.00 46.19 45.40 1im3 s LEU 266 CO 0.20 0.24 1.91 -0.65 0.23 0.00 0.00 176.35 178.28 1im3 h PRO 267 N 6.16 0.85 -3.06 1.29 0.11 -1.88 -3.44 132.00 132.04 1im3 h PRO 267 Ca -0.34 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 1im3 h PRO 267 Cb 1.19 -0.19 -0.17 0.00 0.11 0.00 0.00 31.00 31.94 1im3 h PRO 267 CO 0.54 0.56 -0.13 -1.59 -0.21 0.00 0.00 178.00 177.17 1im3 s LYS 268 N -5.79 0.90 0.52 1.05 -2.85 -1.26 -5.15 119.74 107.16 1im3 s LYS 268 Ca -0.11 -0.37 -0.19 0.00 -1.00 0.00 0.00 55.97 54.30 1im3 s LYS 268 Cb 0.20 0.40 -0.10 0.00 -2.06 0.00 0.00 37.83 36.27 1im3 s LYS 268 CO 0.79 -0.30 0.57 -2.30 0.10 0.00 0.00 175.35 174.21 1im3 n PRO 269 N 0.55 0.60 -4.05 1.78 -0.02 -1.26 -4.98 135.00 127.62 1im3 n PRO 269 Ca -0.19 0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 61.22 1im3 n PRO 269 Cb 0.60 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 1im3 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1im3 s LEU 270 N 0.85 3.81 -0.07 2.45 1.43 -0.51 -4.95 118.68 121.70 1im3 s LEU 270 Ca 0.67 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1im3 s LEU 270 Cb -0.49 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.26 1im3 s LEU 270 CO 0.55 0.16 -0.11 -0.89 0.23 0.00 0.00 176.35 176.30 1im3 s THR 271 N -1.42 1.05 0.02 5.49 2.01 -1.26 -1.17 115.64 120.36 1im3 s THR 271 Ca 0.30 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.96 1im3 s THR 271 Cb -0.12 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1im3 s THR 271 CO 0.22 0.34 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.50 1im3 s LEU 272 N 0.80 2.11 0.06 4.42 1.02 0.20 -4.95 118.68 122.35 1im3 s LEU 272 Ca -0.12 -0.49 0.04 0.00 0.02 0.00 0.00 54.13 53.58 1im3 s LEU 272 Cb -0.15 -1.16 -0.03 0.00 0.02 0.00 0.00 46.19 44.87 1im3 s LEU 272 CO 0.02 0.25 -0.12 -0.60 0.02 0.00 0.00 176.35 175.91 1im3 s ARG 273 N -0.90 0.74 0.04 1.70 3.52 -1.26 -0.56 118.95 122.23 1im3 s ARG 273 Ca 0.09 -0.89 -0.31 0.00 -0.13 0.00 0.00 55.73 54.49 1im3 s ARG 273 Cb -0.09 -0.68 -0.07 0.00 -1.56 0.00 0.00 34.95 32.54 1im3 s ARG 273 CO 0.01 0.15 1.54 -0.46 -0.81 0.00 0.00 175.30 175.72 1im3 s TRP 274 N -1.29 2.64 0.00 5.12 -0.00 -1.26 -5.01 118.94 119.14 1im3 s TRP 274 Ca -0.04 0.55 0.00 0.00 -0.00 0.00 0.00 56.10 56.61 1im3 s TRP 274 Cb -0.10 -3.83 0.00 0.00 -0.00 0.00 0.00 33.47 29.54 1im3 s TRP 274 CO 0.02 -3.23 0.00 0.39 -0.00 0.00 0.00 176.95 174.13