#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4r s SER 2 N 0.00 4.25 0.08 1.61 1.04 -1.26 -4.08 113.70 115.34 2x4r s SER 2 Ca 0.00 1.95 -0.07 0.00 0.48 0.00 0.00 55.95 58.31 2x4r s SER 2 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2x4r s SER 2 CO 0.00 -2.21 0.13 -1.00 0.98 0.00 0.00 173.24 171.15 2x4r s HIS 3 N -2.73 0.27 0.04 5.02 3.76 -0.35 -4.96 115.29 116.33 2x4r s HIS 3 Ca 0.64 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2x4r s HIS 3 Cb -0.19 -0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.32 2x4r s HIS 3 CO 0.54 -0.51 -0.06 -1.54 -0.85 0.00 0.00 174.74 172.32 2x4r s SER 4 N -2.88 0.63 -0.15 1.40 1.04 -1.26 -1.05 113.70 111.42 2x4r s SER 4 Ca 0.06 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2x4r s SER 4 Cb 0.06 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2x4r s SER 4 CO -0.10 -0.25 -0.14 -0.32 0.98 0.00 0.00 173.24 173.41 2x4r s MET 5 N -1.64 2.31 -0.02 4.02 1.75 -0.41 -0.17 119.30 125.14 2x4r s MET 5 Ca -0.11 -0.60 0.03 0.00 -1.25 0.00 0.00 55.69 53.76 2x4r s MET 5 Cb -0.09 -2.16 -0.00 0.00 2.84 0.00 0.00 34.83 35.42 2x4r s MET 5 CO -0.00 -0.25 -0.11 1.03 -0.65 0.00 0.00 175.02 175.03 2x4r s ARG 6 N 1.47 1.08 -0.13 4.11 0.52 0.49 -1.69 118.95 124.80 2x4r s ARG 6 Ca 0.04 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 54.85 2x4r s ARG 6 Cb -0.13 -1.01 -0.02 0.00 0.52 0.00 0.00 34.95 34.31 2x4r s ARG 6 CO -0.11 0.20 -0.11 0.71 0.02 0.00 0.00 175.30 176.01 2x4r s TYR 7 N -0.05 2.85 -0.15 -0.53 2.02 0.20 0.28 117.35 121.97 2x4r s TYR 7 Ca 0.00 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 2x4r s TYR 7 Cb -0.07 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2x4r s TYR 7 CO 0.00 -0.15 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.61 2x4r s PHE 8 N 0.27 2.75 -0.09 2.71 0.08 0.51 -1.89 117.98 122.32 2x4r s PHE 8 Ca -0.08 -1.09 0.04 0.00 0.12 0.00 0.00 56.93 55.92 2x4r s PHE 8 Cb -0.15 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 2x4r s PHE 8 CO 0.05 -0.49 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.40 2x4r s PHE 9 N 0.78 2.31 -0.15 0.36 0.08 0.10 -1.51 117.98 119.96 2x4r s PHE 9 Ca -0.06 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.08 2x4r s PHE 9 Cb -0.15 -1.56 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 2x4r s PHE 9 CO 0.00 -0.37 -0.13 0.99 -0.10 0.00 0.00 175.22 175.61 2x4r s THR 10 N 0.35 1.52 -0.19 0.64 2.01 -0.23 -0.89 115.64 118.85 2x4r s THR 10 Ca -0.16 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 2x4r s THR 10 Cb -0.17 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 70.89 2x4r s THR 10 CO 0.07 0.43 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.76 2x4r s SER 11 N 1.50 3.71 -0.17 3.53 0.15 0.87 -1.06 113.70 122.24 2x4r s SER 11 Ca 0.05 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.19 2x4r s SER 11 Cb -0.13 -1.60 0.03 0.00 -1.71 0.00 0.00 66.02 62.60 2x4r s SER 11 CO -0.10 0.00 -0.14 -0.69 1.20 0.00 0.00 173.24 173.51 2x4r s VAL 12 N 1.32 1.70 0.22 4.45 1.01 -0.05 -0.31 120.40 128.74 2x4r s VAL 12 Ca 0.04 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2x4r s VAL 12 Cb -0.14 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.53 2x4r s VAL 12 CO -0.07 0.40 1.07 -0.94 0.00 0.00 0.00 175.10 175.55 2x4r s SER 13 N 1.42 7.34 -0.67 3.32 1.04 -0.67 0.22 113.70 125.70 2x4r s SER 13 Ca 0.03 2.12 0.05 0.00 0.48 0.00 0.00 55.95 58.63 2x4r s SER 13 Cb -0.14 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.56 2x4r s SER 13 CO -0.10 -0.12 0.53 0.54 0.98 0.00 0.00 173.24 175.06 2x4r n ARG 14 N 1.82 1.83 -1.44 4.02 1.74 -1.26 -4.21 116.66 119.16 2x4r n ARG 14 Ca 0.01 -4.41 -0.49 0.00 -0.77 0.00 0.00 57.85 52.19 2x4r n ARG 14 Cb 0.46 -2.22 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 2x4r n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2x4r n PRO 15 N 1.80 0.76 0.00 5.56 -0.02 -1.26 0.42 135.00 142.26 2x4r n PRO 15 Ca 0.23 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2x4r n PRO 15 Cb 0.37 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2x4r n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x4r n GLY 16 N 6.61 2.98 2.83 -1.23 0.00 -1.26 -4.92 105.19 110.21 2x4r n GLY 16 Ca 0.46 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 2x4r n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x4r n ARG 17 N -0.27 3.26 0.00 1.61 0.00 0.17 -4.99 116.66 116.44 2x4r n ARG 17 Ca 0.00 -3.83 0.00 0.00 -0.00 0.00 0.00 57.85 54.02 2x4r n ARG 17 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.16 2x4r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2x4r n GLY 18 N -0.45 -1.80 3.67 5.14 0.00 -1.25 -4.89 105.19 105.61 2x4r n GLY 18 Ca 0.51 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 2x4r n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4r s GLU 19 N 0.00 0.88 0.48 1.61 0.41 -1.26 -4.59 118.70 116.23 2x4r s GLU 19 Ca 0.00 0.95 -0.23 0.00 -0.41 0.00 0.00 54.97 55.29 2x4r s GLU 19 Cb 0.00 -1.75 -0.07 0.00 -1.78 0.00 0.00 34.13 30.53 2x4r s GLU 19 CO 0.00 -2.54 1.24 -2.14 -0.49 0.00 0.00 175.26 171.33 2x4r s PRO 20 N -4.81 3.57 0.19 0.39 0.02 -1.26 -4.53 135.00 128.57 2x4r s PRO 20 Ca 0.65 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.33 2x4r s PRO 20 Cb -0.20 -2.39 -0.09 0.00 0.02 0.00 0.00 34.50 31.85 2x4r s PRO 20 CO 0.58 -0.76 1.34 0.50 -0.33 0.00 0.00 177.00 178.33 2x4r s ARG 21 N -2.73 4.36 -0.10 5.54 6.06 0.13 -4.86 118.95 127.36 2x4r s ARG 21 Ca 0.66 2.08 -0.00 0.00 -2.50 0.00 0.00 55.73 55.96 2x4r s ARG 21 Cb -0.33 -3.20 0.02 0.00 0.06 0.00 0.00 34.95 31.50 2x4r s ARG 21 CO 0.40 -0.30 -0.06 0.12 -2.50 0.00 0.00 175.30 172.96 2x4r s PHE 22 N 0.30 1.30 -0.04 5.12 5.36 -1.26 -0.87 117.98 127.89 2x4r s PHE 22 Ca 0.58 -0.60 0.07 0.00 -0.96 0.00 0.00 56.93 56.02 2x4r s PHE 22 Cb -0.37 -1.13 -0.02 0.00 -0.34 0.00 0.00 43.02 41.16 2x4r s PHE 22 CO 0.37 -0.46 -0.24 0.42 -1.46 0.00 0.00 175.22 173.85 2x4r s ILE 23 N 1.71 2.23 -0.07 3.12 1.01 -0.22 -0.71 121.20 128.27 2x4r s ILE 23 Ca 0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2x4r s ILE 23 Cb -0.13 -1.80 0.03 0.00 0.01 0.00 0.00 42.46 40.57 2x4r s ILE 23 CO -0.07 0.58 0.02 0.00 0.00 0.00 0.00 174.94 175.47 2x4r s ALA 24 N -0.48 0.59 0.14 9.38 0.00 -0.10 -1.06 121.76 130.23 2x4r s ALA 24 Ca 0.06 -0.08 0.11 0.00 0.00 0.00 0.00 51.96 52.05 2x4r s ALA 24 Cb -0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2x4r s ALA 24 CO 0.01 -0.51 -0.26 0.14 0.00 0.00 0.00 175.76 175.14 2x4r s VAL 25 N 2.02 2.32 -0.02 0.00 -7.23 -0.57 -0.08 120.40 116.85 2x4r s VAL 25 Ca 0.05 -1.81 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 2x4r s VAL 25 Cb -0.12 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 2x4r s VAL 25 CO -0.05 0.04 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.78 2x4r s GLY 26 N -2.21 0.87 0.03 2.32 0.00 -1.08 -0.36 107.32 106.89 2x4r s GLY 26 Ca 0.16 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.20 2x4r s GLY 26 CO 0.07 -0.60 -0.21 -0.19 0.00 0.00 0.00 173.10 172.17 2x4r s TYR 27 N -0.35 1.87 -0.24 1.90 2.02 0.14 -1.18 117.35 121.51 2x4r s TYR 27 Ca 0.05 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.34 2x4r s TYR 27 Cb -0.07 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.34 2x4r s TYR 27 CO -0.00 0.06 -0.01 0.08 -1.57 0.00 0.00 175.55 174.10 2x4r s VAL 28 N -0.70 3.55 0.00 0.71 1.01 -0.34 -0.38 120.40 124.24 2x4r s VAL 28 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2x4r s VAL 28 Cb -0.09 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2x4r s VAL 28 CO 0.01 0.35 0.00 0.47 0.00 0.00 0.00 175.10 175.93 2x4r n ASP 29 N 4.81 0.00 -1.25 3.32 8.00 0.77 -1.49 116.55 130.71 2x4r n ASP 29 Ca -0.17 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.40 2x4r n ASP 29 Cb 0.50 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.87 2x4r n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2x4r n ASP 30 N 4.09 3.65 -4.23 -2.24 8.00 -1.26 -4.84 116.55 119.72 2x4r n ASP 30 Ca 0.00 -2.28 -0.35 0.00 0.71 0.00 0.00 54.79 52.86 2x4r n ASP 30 Cb 0.00 -0.48 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 2x4r n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4r s THR 31 N -1.68 3.20 0.40 -3.53 2.01 -0.56 -5.03 115.64 110.46 2x4r s THR 31 Ca 0.39 -1.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 2x4r s THR 31 Cb 0.24 -2.70 -0.09 0.00 0.01 0.00 0.00 72.50 69.96 2x4r s THR 31 CO 0.20 0.06 1.27 -1.58 -0.69 0.00 0.00 174.62 173.89 2x4r s GLN 32 N 1.35 4.00 0.00 4.92 0.74 -1.26 -1.20 119.66 128.20 2x4r s GLN 32 Ca -0.01 2.08 0.00 0.00 0.05 0.00 0.00 55.36 57.48 2x4r s GLN 32 Cb -0.18 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.18 2x4r s GLN 32 CO -0.02 -0.44 0.00 1.97 -0.55 0.00 0.00 175.29 176.25 2x4r n PHE 33 N 0.14 0.00 -4.01 1.67 -1.74 -0.33 -4.13 117.46 109.07 2x4r n PHE 33 Ca 0.04 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.83 2x4r n PHE 33 Cb 0.44 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.36 2x4r n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2x4r s VAL 34 N -1.22 0.10 0.02 1.97 -7.23 -1.23 -0.21 120.40 112.60 2x4r s VAL 34 Ca 0.00 -1.53 -0.15 0.00 -1.81 0.00 0.00 61.98 58.49 2x4r s VAL 34 Cb 0.00 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.15 2x4r s VAL 34 CO 0.00 -0.43 0.32 0.00 -0.31 0.00 0.00 175.10 174.68 2x4r s ARG 35 N -3.97 0.78 -0.04 4.82 1.70 -0.54 -2.62 118.95 119.09 2x4r s ARG 35 Ca 0.17 -0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 55.04 2x4r s ARG 35 Cb 0.05 0.34 0.03 0.00 -0.57 0.00 0.00 34.95 34.80 2x4r s ARG 35 CO -0.02 -0.24 0.08 0.12 -1.08 0.00 0.00 175.30 174.16 2x4r s PHE 36 N -2.12 -0.06 -0.14 5.89 5.36 0.89 -0.81 117.98 126.98 2x4r s PHE 36 Ca -0.08 0.27 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 2x4r s PHE 36 Cb -0.02 -0.12 0.04 0.00 -0.34 0.00 0.00 43.02 42.58 2x4r s PHE 36 CO -0.00 -0.10 -0.02 0.34 -1.46 0.00 0.00 175.22 173.97 2x4r s ASP 37 N 0.86 2.42 0.65 6.13 -1.08 -1.26 -0.93 116.67 123.46 2x4r s ASP 37 Ca -0.07 -0.50 0.25 0.00 -0.52 0.00 0.00 52.55 51.71 2x4r s ASP 37 Cb -0.09 -0.69 1.35 0.00 -1.46 0.00 0.00 42.92 42.03 2x4r s ASP 37 CO -0.03 -0.21 1.75 0.77 0.52 0.00 0.00 175.17 177.97 2x4r h SER 38 N 8.22 0.00 0.19 -0.34 4.64 -1.31 -0.26 113.55 124.68 2x4r h SER 38 Ca -0.21 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.76 2x4r h SER 38 Cb 1.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 2x4r h SER 38 CO 0.34 0.00 -2.11 0.47 -0.87 0.00 0.00 176.83 174.66 2x4r n ASP 39 N -2.79 0.93 -4.36 4.97 8.00 -1.26 -4.96 116.55 117.08 2x4r n ASP 39 Ca -0.02 0.15 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 2x4r n ASP 39 Cb 0.47 0.14 0.08 0.00 -0.02 0.00 0.00 41.12 41.79 2x4r n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4r n ALA 40 N -2.80 -2.67 0.11 2.24 0.00 -0.11 -4.92 120.51 112.37 2x4r n ALA 40 Ca -0.29 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 2x4r n ALA 40 Cb 1.08 -1.69 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 2x4r n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x4r h ALA 41 N -0.92 -0.23 -0.52 0.00 0.00 -1.94 -3.33 119.26 112.32 2x4r h ALA 41 Ca -0.44 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.44 2x4r h ALA 41 Cb 1.32 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2x4r h ALA 41 CO 0.36 -0.58 0.20 0.66 0.00 0.00 0.00 179.25 179.90 2x4r h SER 42 N -0.33 0.23 -0.95 0.00 4.64 -1.93 -3.46 113.55 111.75 2x4r h SER 42 Ca -0.02 0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 61.08 2x4r h SER 42 Cb 0.26 0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.29 2x4r h SER 42 CO 0.04 0.16 -0.27 1.67 -0.87 0.00 0.00 176.83 177.56 2x4r n GLN 43 N -4.97 -0.96 -4.34 4.77 7.27 -1.25 -5.02 117.38 112.88 2x4r n GLN 43 Ca 0.05 0.89 -0.25 0.00 0.07 0.00 0.00 57.00 57.76 2x4r n GLN 43 Cb 0.19 -4.99 -0.09 0.00 2.41 0.00 0.00 30.24 27.76 2x4r n GLN 43 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2x4r s ARG 44 N -3.52 2.00 0.24 3.69 1.81 -1.26 -5.01 118.95 116.90 2x4r s ARG 44 Ca 0.00 -1.43 -0.30 0.00 -1.72 0.00 0.00 55.73 52.28 2x4r s ARG 44 Cb 0.00 -2.06 -0.10 0.00 -0.45 0.00 0.00 34.95 32.34 2x4r s ARG 44 CO 0.00 0.39 1.43 1.41 -0.68 0.00 0.00 175.30 177.86 2x4r s MET 45 N -3.16 4.27 0.22 3.54 -2.45 -1.26 -4.70 119.30 115.75 2x4r s MET 45 Ca 0.27 2.28 0.10 0.00 -1.25 0.00 0.00 55.69 57.09 2x4r s MET 45 Cb -0.07 -3.12 -0.05 0.00 1.25 0.00 0.00 34.83 32.84 2x4r s MET 45 CO 0.16 -0.41 -0.19 -1.21 1.05 0.00 0.00 175.02 174.42 2x4r s GLU 46 N -0.33 1.46 0.57 4.11 2.02 0.01 -4.83 118.70 121.71 2x4r s GLU 46 Ca 0.59 -1.59 -0.17 0.00 0.02 0.00 0.00 54.97 53.83 2x4r s GLU 46 Cb -0.41 -1.50 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 2x4r s GLU 46 CO 0.43 0.29 1.06 -2.14 0.02 0.00 0.00 175.26 174.91 2x4r s PRO 47 N -3.22 3.40 0.00 0.39 0.02 -1.26 -1.46 135.00 132.86 2x4r s PRO 47 Ca 0.23 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.49 2x4r s PRO 47 Cb -0.05 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2x4r s PRO 47 CO 0.10 -0.75 0.00 0.54 -0.33 0.00 0.00 177.00 176.56 2x4r n ARG 48 N -1.83 0.00 -4.96 5.54 5.12 0.71 -4.69 116.66 116.55 2x4r n ARG 48 Ca 0.09 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.74 2x4r n ARG 48 Cb 0.53 -0.35 -0.15 0.00 -1.16 0.00 0.00 32.46 31.32 2x4r n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2x4r s ALA 49 N 0.00 1.69 0.56 7.54 0.00 -1.15 -4.75 121.76 125.66 2x4r s ALA 49 Ca 0.00 -0.89 0.25 0.00 0.00 0.00 0.00 51.96 51.32 2x4r s ALA 49 Cb 0.00 -0.42 1.57 0.00 0.00 0.00 0.00 23.12 24.27 2x4r s ALA 49 CO 0.00 0.41 2.14 -1.35 0.00 0.00 0.00 175.76 176.96 2x4r h PRO 50 N 5.56 0.00 0.24 0.00 0.11 -1.93 -3.13 132.00 132.85 2x4r h PRO 50 Ca -0.39 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.39 2x4r h PRO 50 Cb 1.14 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.29 2x4r h PRO 50 CO 0.47 0.00 -1.46 0.11 -0.21 0.00 0.00 178.00 176.92 2x4r h TRP 51 N 0.00 0.96 0.00 0.65 5.08 -1.96 -3.22 115.95 117.46 2x4r h TRP 51 Ca 0.06 -0.69 0.00 0.00 1.08 0.00 0.00 58.89 59.34 2x4r h TRP 51 Cb 0.30 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 2x4r h TRP 51 CO 0.00 1.54 0.00 1.51 -1.28 0.00 0.00 178.44 180.21 2x4r n ILE 52 N -3.71 0.67 -0.19 0.12 0.13 -1.18 -3.87 119.36 111.32 2x4r n ILE 52 Ca -0.16 0.17 -0.10 0.00 -1.10 0.00 0.00 62.75 61.56 2x4r n ILE 52 Cb 1.10 -0.90 0.02 0.00 -0.84 0.00 0.00 39.64 39.02 2x4r n ILE 52 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 2x4r h GLU 53 N 0.00 1.05 -1.89 9.51 4.81 -1.60 -2.82 114.58 123.64 2x4r h GLU 53 Ca 0.00 -0.36 -0.72 0.00 -0.13 0.00 0.00 59.36 58.14 2x4r h GLU 53 Cb 0.19 -0.08 -0.26 0.00 0.63 0.00 0.00 28.75 29.24 2x4r h GLU 53 CO 0.00 1.06 0.96 1.04 -0.73 0.00 0.00 179.01 181.34 2x4r n GLN 54 N -4.16 2.69 -0.01 1.92 1.13 -1.25 -4.63 117.38 113.08 2x4r n GLN 54 Ca 0.02 -3.34 -0.11 0.00 -1.94 0.00 0.00 57.00 51.64 2x4r n GLN 54 Cb 0.38 -2.25 -0.09 0.00 0.11 0.00 0.00 30.24 28.40 2x4r n GLN 54 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2x4r h GLU 55 N 2.87 -0.09 0.00 -1.09 4.57 -1.76 -3.51 114.58 115.57 2x4r h GLU 55 Ca 0.55 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.74 2x4r h GLU 55 Cb 0.19 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2x4r h GLU 55 CO 1.38 0.46 0.00 0.41 -1.18 0.00 0.00 179.01 180.08 2x4r n GLY 56 N 1.03 3.73 0.18 1.92 0.00 -1.26 -4.85 105.19 105.94 2x4r n GLY 56 Ca -0.07 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 2x4r n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x4r h PRO 57 N 0.00 0.58 -0.94 1.61 0.10 -1.98 -2.56 132.00 128.81 2x4r h PRO 57 Ca 0.00 -0.29 0.10 0.00 0.10 0.00 0.00 66.00 65.91 2x4r h PRO 57 Cb 0.00 0.01 -0.07 0.00 0.10 0.00 0.00 31.00 31.04 2x4r h PRO 57 CO 0.00 0.88 0.60 1.49 0.10 0.00 0.00 178.00 181.08 2x4r h GLU 58 N 0.28 0.92 -0.15 1.05 4.22 -1.99 0.18 114.58 119.09 2x4r h GLU 58 Ca 0.04 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.34 2x4r h GLU 58 Cb 0.77 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2x4r h GLU 58 CO 0.06 0.61 -0.24 -0.92 -2.18 0.00 0.00 179.01 176.34 2x4r h TYR 59 N 0.95 0.53 -0.06 0.92 3.20 -1.87 -2.26 116.97 118.38 2x4r h TYR 59 Ca 0.44 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 2x4r h TYR 59 Cb 0.41 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2x4r h TYR 59 CO -0.00 0.86 -0.42 -1.49 -1.64 0.00 0.00 178.16 175.47 2x4r h TRP 60 N 0.06 0.15 -0.15 -3.82 4.06 -0.97 -1.27 115.95 114.00 2x4r h TRP 60 Ca 0.01 -0.04 -0.19 0.00 2.06 0.00 0.00 58.89 60.74 2x4r h TRP 60 Cb 0.81 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 28.94 2x4r h TRP 60 CO 0.09 0.53 -0.65 -0.44 -3.56 0.00 0.00 178.44 174.41 2x4r h ASP 61 N 0.11 0.83 -0.07 -3.49 5.19 -0.70 -2.18 116.42 116.11 2x4r h ASP 61 Ca 0.01 -0.62 -0.00 0.00 -0.62 0.00 0.00 57.03 55.79 2x4r h ASP 61 Cb 0.79 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 2x4r h ASP 61 CO 0.06 1.32 0.03 1.23 -3.12 0.00 0.00 179.24 178.76 2x4r h GLY 62 N 0.40 0.11 0.84 2.75 0.00 -1.29 -1.93 103.07 103.96 2x4r h GLY 62 Ca -0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2x4r h GLY 62 CO 0.14 0.06 -0.04 0.83 0.00 0.00 0.00 176.54 177.52 2x4r h GLU 63 N -0.02 0.46 -0.75 4.80 4.39 -1.31 -1.73 114.58 120.41 2x4r h GLU 63 Ca 0.02 -0.17 0.17 0.00 0.34 0.00 0.00 59.36 59.72 2x4r h GLU 63 Cb 0.14 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.65 2x4r h GLU 63 CO -0.00 0.67 0.18 1.15 -1.16 0.00 0.00 179.01 179.85 2x4r h THR 64 N 0.21 0.49 0.53 1.13 2.02 -1.44 -0.63 112.91 115.22 2x4r h THR 64 Ca 0.06 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 2x4r h THR 64 Cb 0.49 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2x4r h THR 64 CO 0.02 0.05 -0.26 -0.09 0.37 0.00 0.00 175.52 175.61 2x4r h ARG 65 N 0.26 -0.69 -0.70 6.66 2.43 -0.99 -2.47 114.38 118.88 2x4r h ARG 65 Ca 0.43 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 2x4r h ARG 65 Cb 0.75 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 2x4r h ARG 65 CO -0.53 -0.44 0.44 0.87 -1.51 0.00 0.00 179.97 178.80 2x4r h LYS 66 N -0.76 0.93 0.00 0.20 1.57 -1.06 -1.66 116.57 115.78 2x4r h LYS 66 Ca -0.07 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2x4r h LYS 66 Cb 0.57 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2x4r h LYS 66 CO 0.12 0.63 -0.11 -0.24 -0.57 0.00 0.00 179.45 179.28 2x4r h VAL 67 N 0.94 0.56 0.00 0.50 3.04 -1.12 0.29 116.25 120.46 2x4r h VAL 67 Ca 0.25 -0.50 -0.17 0.00 -1.01 0.00 0.00 66.70 65.27 2x4r h VAL 67 Cb -0.08 1.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 2x4r h VAL 67 CO -0.05 0.11 -0.83 0.11 -1.01 0.00 0.00 177.57 175.90 2x4r h LYS 68 N 0.00 0.00 0.09 4.17 1.57 -0.91 -2.09 116.57 119.39 2x4r h LYS 68 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2x4r h LYS 68 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2x4r h LYS 68 CO 0.01 0.83 -0.04 0.00 -0.57 0.00 0.00 179.45 179.68 2x4r h ALA 69 N 1.17 -0.11 -0.89 3.86 0.00 -0.22 -2.66 119.26 120.41 2x4r h ALA 69 Ca -0.01 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 54.85 2x4r h ALA 69 Cb 1.50 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.21 2x4r h ALA 69 CO 0.11 -0.26 0.39 0.45 0.00 0.00 0.00 179.25 179.93 2x4r h HIS 70 N -0.72 0.64 -0.12 0.00 3.86 -0.57 -1.24 115.15 117.00 2x4r h HIS 70 Ca -0.01 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2x4r h HIS 70 Cb 0.57 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 2x4r h HIS 70 CO 0.11 -0.03 -0.05 1.03 0.86 0.00 0.00 177.93 179.85 2x4r h SER 71 N 0.41 -0.18 0.47 2.45 0.87 -1.32 -2.60 113.55 113.65 2x4r h SER 71 Ca 0.55 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 61.14 2x4r h SER 71 Cb 1.01 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2x4r h SER 71 CO -0.51 -0.07 -0.40 1.56 -0.53 0.00 0.00 176.83 176.87 2x4r h GLN 72 N -0.04 -0.84 -0.92 2.24 1.08 -0.88 -1.13 115.11 114.63 2x4r h GLN 72 Ca 0.07 0.06 0.26 0.00 -1.45 0.00 0.00 58.65 57.58 2x4r h GLN 72 Cb 0.14 0.19 -0.15 0.00 -0.05 0.00 0.00 27.48 27.61 2x4r h GLN 72 CO -0.14 -0.56 0.30 1.15 -0.95 0.00 0.00 178.83 178.63 2x4r h THR 73 N -0.87 0.28 -0.04 -0.54 2.02 -1.43 0.52 112.91 112.85 2x4r h THR 73 Ca -0.05 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 2x4r h THR 73 Cb 0.75 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2x4r h THR 73 CO -0.03 0.04 -0.65 0.45 0.37 0.00 0.00 175.52 175.70 2x4r h HIS 74 N 0.21 0.20 -0.40 3.16 3.86 -1.03 0.47 115.15 121.63 2x4r h HIS 74 Ca 0.60 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.63 2x4r h HIS 74 Cb 1.27 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 2x4r h HIS 74 CO -0.22 0.76 -0.14 -0.09 0.86 0.00 0.00 177.93 179.10 2x4r h ARG 75 N 0.11 0.79 -0.28 2.45 2.43 0.27 -2.11 114.38 118.04 2x4r h ARG 75 Ca -0.01 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 2x4r h ARG 75 Cb 1.16 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2x4r h ARG 75 CO 0.10 0.94 0.12 0.28 -1.51 0.00 0.00 179.97 179.89 2x4r h VAL 76 N 0.60 1.17 -0.69 0.20 2.07 -0.69 -2.93 116.25 115.98 2x4r h VAL 76 Ca 0.10 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.16 2x4r h VAL 76 Cb 0.67 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2x4r h VAL 76 CO 0.05 0.17 0.45 0.44 0.02 0.00 0.00 177.57 178.70 2x4r h ASP 77 N 0.30 0.65 -0.86 0.57 3.32 -0.00 -1.47 116.42 118.93 2x4r h ASP 77 Ca 0.09 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2x4r h ASP 77 Cb 0.16 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2x4r h ASP 77 CO -0.01 0.43 0.57 -0.07 -1.72 0.00 0.00 179.24 178.44 2x4r h LEU 78 N 0.74 0.96 -0.17 1.55 3.38 -1.19 0.40 115.31 121.00 2x4r h LEU 78 Ca 0.29 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 2x4r h LEU 78 Cb 0.20 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2x4r h LEU 78 CO -0.09 0.68 -0.64 1.23 0.09 0.00 0.00 178.44 179.71 2x4r h GLY 79 N 1.12 0.80 1.77 0.83 0.00 -1.29 -2.94 103.07 103.36 2x4r h GLY 79 Ca 0.33 -1.08 -0.08 0.00 0.00 0.00 0.00 47.33 46.50 2x4r h GLY 79 CO -0.09 0.96 -0.28 -0.84 0.00 0.00 0.00 176.54 176.30 2x4r h THR 80 N 0.43 1.25 0.00 4.70 2.02 -0.85 -2.87 112.91 117.59 2x4r h THR 80 Ca -0.03 -1.20 -0.14 0.00 0.77 0.00 0.00 66.41 65.81 2x4r h THR 80 Cb 1.27 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 2x4r h THR 80 CO 0.13 0.36 -0.69 -0.07 0.37 0.00 0.00 175.52 175.63 2x4r h LEU 81 N 0.24 0.00 -0.97 2.58 3.38 -0.97 -2.39 115.31 117.18 2x4r h LEU 81 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2x4r h LEU 81 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2x4r h LEU 81 CO 0.04 0.69 -0.36 -0.09 0.09 0.00 0.00 178.44 178.81 2x4r h ARG 82 N 0.00 0.29 -0.02 1.13 2.43 -1.32 -3.06 114.38 113.83 2x4r h ARG 82 Ca -0.01 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2x4r h ARG 82 Cb 1.49 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 2x4r h ARG 82 CO 0.09 0.62 -0.23 0.78 -1.51 0.00 0.00 179.97 179.72 2x4r h GLY 83 N 1.13 0.21 0.50 2.80 0.00 -1.42 0.92 103.07 107.21 2x4r h GLY 83 Ca 0.03 -0.33 0.20 0.00 0.00 0.00 0.00 47.33 47.23 2x4r h GLY 83 CO 0.06 0.29 0.54 -0.97 0.00 0.00 0.00 176.54 176.46 2x4r h TYR 84 N -0.44 0.22 -0.38 5.60 0.05 -1.45 -1.61 116.97 118.96 2x4r h TYR 84 Ca -0.02 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2x4r h TYR 84 Cb 0.94 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.62 2x4r h TYR 84 CO 0.16 0.07 0.00 0.66 -1.05 0.00 0.00 178.16 178.00 2x4r n TYR 85 N -4.39 0.50 -3.56 4.88 4.02 -1.16 -4.89 117.16 112.57 2x4r n TYR 85 Ca 0.16 -0.44 -0.26 0.00 -0.01 0.00 0.00 57.90 57.34 2x4r n TYR 85 Cb 0.73 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 2x4r n TYR 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2x4r n ASN 86 N 0.74 -4.17 -4.87 7.72 4.13 -0.61 -4.94 115.26 113.27 2x4r n ASN 86 Ca 0.13 -0.54 -0.31 0.00 1.68 0.00 0.00 54.58 55.54 2x4r n ASN 86 Cb 0.45 -3.41 -0.05 0.00 -1.54 0.00 0.00 39.78 35.24 2x4r n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2x4r s GLN 87 N -6.23 3.87 0.59 3.52 -0.21 0.26 -5.03 119.66 116.42 2x4r s GLN 87 Ca 0.49 0.47 -0.14 0.00 0.02 0.00 0.00 55.36 56.21 2x4r s GLN 87 Cb -0.26 -2.48 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 2x4r s GLN 87 CO 0.61 0.14 1.02 -1.54 -2.12 0.00 0.00 175.29 173.40 2x4r s SER 88 N -2.61 6.20 0.42 5.90 1.04 -1.26 -4.73 113.70 118.66 2x4r s SER 88 Ca 0.51 1.56 0.08 0.00 0.48 0.00 0.00 55.95 58.59 2x4r s SER 88 Cb -0.10 -2.50 0.91 0.00 0.10 0.00 0.00 66.02 64.43 2x4r s SER 88 CO 0.23 -0.88 2.06 -0.08 0.98 0.00 0.00 173.24 175.55 2x4r h GLU 89 N 0.22 0.48 0.00 4.02 4.57 -1.97 -2.77 114.58 119.13 2x4r h GLU 89 Ca -0.45 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2x4r h GLU 89 Cb 1.19 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2x4r h GLU 89 CO 0.60 0.32 -0.11 0.00 -1.18 0.00 0.00 179.01 178.64 2x4r n ALA 90 N -2.48 2.56 -1.81 2.92 0.00 -1.26 -4.82 120.51 115.62 2x4r n ALA 90 Ca 0.03 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2x4r n ALA 90 Cb 0.09 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 2x4r n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x4r s GLY 91 N -3.09 2.95 -0.36 0.00 0.00 -1.05 -4.73 107.32 101.04 2x4r s GLY 91 Ca 0.13 1.07 -0.14 0.00 0.00 0.00 0.00 44.72 45.78 2x4r s GLY 91 CO 0.58 1.75 0.29 -0.45 0.00 0.00 0.00 173.10 175.27 2x4r s SER 92 N -0.52 6.10 0.25 1.64 0.15 -1.26 -4.66 113.70 115.40 2x4r s SER 92 Ca 0.48 -0.49 0.11 0.00 0.70 0.00 0.00 55.95 56.75 2x4r s SER 92 Cb -0.36 -2.16 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2x4r s SER 92 CO 0.45 -0.32 -0.19 -1.00 1.20 0.00 0.00 173.24 173.38 2x4r s HIS 93 N 1.80 2.14 0.01 3.44 3.76 -1.26 -4.94 115.29 120.24 2x4r s HIS 93 Ca 0.07 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.63 2x4r s HIS 93 Cb -0.17 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.54 2x4r s HIS 93 CO 0.11 0.61 -0.11 0.99 -0.85 0.00 0.00 174.74 175.49 2x4r s THR 94 N -2.56 3.34 -0.05 1.30 2.01 -1.26 -1.66 115.64 116.75 2x4r s THR 94 Ca 0.27 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2x4r s THR 94 Cb -0.04 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 70.05 2x4r s THR 94 CO 0.12 0.40 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.66 2x4r s VAL 95 N -0.95 0.96 0.05 3.82 1.01 0.58 -1.06 120.40 124.81 2x4r s VAL 95 Ca 0.16 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.80 2x4r s VAL 95 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2x4r s VAL 95 CO 0.06 0.31 -0.19 -1.10 0.00 0.00 0.00 175.10 174.18 2x4r s GLN 96 N 0.51 1.20 -0.01 2.72 -0.21 -0.76 -0.09 119.66 123.02 2x4r s GLN 96 Ca -0.10 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.36 2x4r s GLN 96 Cb -0.13 -1.30 0.01 0.00 1.00 0.00 0.00 33.01 32.58 2x4r s GLN 96 CO 0.02 0.32 0.01 0.50 -2.12 0.00 0.00 175.29 174.02 2x4r s ARG 97 N -1.31 0.01 -0.03 2.91 3.52 -0.07 -0.36 118.95 123.62 2x4r s ARG 97 Ca 0.05 0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.72 2x4r s ARG 97 Cb -0.09 -0.09 0.01 0.00 -1.56 0.00 0.00 34.95 33.22 2x4r s ARG 97 CO 0.02 -0.04 -0.08 1.41 -0.81 0.00 0.00 175.30 175.80 2x4r s MET 98 N 0.30 0.95 0.03 5.12 -2.45 0.08 0.03 119.30 123.36 2x4r s MET 98 Ca -0.02 -0.25 -0.08 0.00 -1.25 0.00 0.00 55.69 54.08 2x4r s MET 98 Cb -0.04 -0.89 0.00 0.00 1.25 0.00 0.00 34.83 35.15 2x4r s MET 98 CO -0.01 0.05 0.17 1.52 1.05 0.00 0.00 175.02 177.80 2x4r s TYR 99 N 0.40 0.07 0.00 4.11 -0.85 -0.79 0.09 117.35 120.38 2x4r s TYR 99 Ca -0.06 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 2x4r s TYR 99 Cb -0.10 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.19 2x4r s TYR 99 CO 0.01 -0.38 0.00 0.41 -1.52 0.00 0.00 175.55 174.06 2x4r n GLY 100 N 0.90 0.57 3.20 5.49 0.00 -1.09 -0.63 105.19 113.63 2x4r n GLY 100 Ca -0.20 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 2x4r n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4r s ASP 102 N -0.60 4.70 0.12 0.00 1.01 0.04 -1.28 116.67 120.65 2x4r s ASP 102 Ca -0.07 -0.37 0.06 0.00 0.71 0.00 0.00 52.55 52.88 2x4r s ASP 102 Cb -0.04 -0.99 -0.04 0.00 1.01 0.00 0.00 42.92 42.87 2x4r s ASP 102 CO 0.02 0.12 -0.15 0.68 0.21 0.00 0.00 175.17 176.05 2x4r s VAL 103 N -1.56 1.36 0.00 -1.27 -7.23 -0.22 -1.06 120.40 110.43 2x4r s VAL 103 Ca 0.26 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2x4r s VAL 103 Cb -0.10 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2x4r s VAL 103 CO 0.17 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 2x4r n GLY 104 N 0.64 -0.94 0.31 2.32 0.00 -0.99 -1.21 105.19 105.31 2x4r n GLY 104 Ca -0.16 -1.68 0.20 0.00 0.00 0.00 0.00 46.02 44.38 2x4r n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2x4r h SER 105 N 0.00 0.00 -0.06 1.61 0.02 -1.92 -1.58 113.55 111.62 2x4r h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2x4r h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2x4r h SER 105 CO 0.00 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 174.80 2x4r n ASP 106 N -3.16 1.38 -0.16 3.07 5.75 -1.26 -4.78 116.55 117.38 2x4r n ASP 106 Ca -0.02 -1.52 -0.02 0.00 -0.01 0.00 0.00 54.79 53.22 2x4r n ASP 106 Cb 0.17 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 2x4r n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2x4r n TRP 107 N 0.09 0.00 -3.45 2.11 7.02 -0.59 -4.98 117.44 117.64 2x4r n TRP 107 Ca 0.18 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.33 2x4r n TRP 107 Cb 0.32 -1.57 -0.05 0.00 -2.42 0.00 0.00 31.31 27.59 2x4r n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2x4r s ARG 108 N -1.66 3.83 0.14 -0.99 0.52 -1.26 -4.81 118.95 114.71 2x4r s ARG 108 Ca 0.00 0.29 -0.33 0.00 -0.52 0.00 0.00 55.73 55.17 2x4r s ARG 108 Cb 0.00 -2.80 -0.17 0.00 0.52 0.00 0.00 34.95 32.50 2x4r s ARG 108 CO 0.00 0.41 0.86 0.34 0.02 0.00 0.00 175.30 176.94 2x4r n PHE 109 N 0.31 0.37 -0.01 -0.53 7.35 -1.26 -2.36 117.46 121.34 2x4r n PHE 109 Ca -0.03 0.91 -0.04 0.00 -0.76 0.00 0.00 57.45 57.54 2x4r n PHE 109 Cb 0.52 -2.09 -0.01 0.00 0.35 0.00 0.00 39.48 38.25 2x4r n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2x4r n LEU 110 N 1.81 0.62 -3.53 -2.13 7.94 -0.22 -4.75 117.00 116.74 2x4r n LEU 110 Ca 0.17 0.09 -0.11 0.00 -1.11 0.00 0.00 56.01 55.05 2x4r n LEU 110 Cb 0.20 -0.22 -0.04 0.00 0.53 0.00 0.00 43.42 43.89 2x4r n LEU 110 CO 0.59 -0.16 0.65 0.00 -1.11 0.00 0.00 177.39 177.36 2x4r s ARG 111 N -2.10 0.82 0.33 1.96 1.70 -1.22 -5.00 118.95 115.43 2x4r s ARG 111 Ca -0.06 -0.06 0.05 0.00 -0.47 0.00 0.00 55.73 55.20 2x4r s ARG 111 Cb 0.02 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.72 2x4r s ARG 111 CO 0.07 -0.31 0.01 0.20 -1.08 0.00 0.00 175.30 174.20 2x4r s GLY 112 N -1.78 2.08 0.08 3.88 0.00 -1.26 -0.78 107.32 109.54 2x4r s GLY 112 Ca -0.01 -2.06 -0.22 0.00 0.00 0.00 0.00 44.72 42.44 2x4r s GLY 112 CO -0.02 -1.88 0.52 -2.52 0.00 0.00 0.00 173.10 169.20 2x4r s TYR 113 N -3.10 -0.42 -0.26 1.90 -0.85 -0.96 -4.92 117.35 108.74 2x4r s TYR 113 Ca 0.34 0.36 -0.02 0.00 -0.52 0.00 0.00 57.07 57.23 2x4r s TYR 113 Cb 0.07 0.38 0.14 0.00 0.38 0.00 0.00 41.96 42.94 2x4r s TYR 113 CO 0.15 -0.70 0.41 -1.58 -1.52 0.00 0.00 175.55 172.31 2x4r s HIS 114 N -2.93 -0.96 -0.05 -3.49 2.46 -1.26 -2.67 115.29 106.39 2x4r s HIS 114 Ca -0.03 0.93 0.05 0.00 0.47 0.00 0.00 55.06 56.49 2x4r s HIS 114 Cb -0.00 0.09 -0.02 0.00 -0.13 0.00 0.00 32.58 32.52 2x4r s HIS 114 CO -0.06 -0.76 -0.21 -0.65 -2.47 0.00 0.00 174.74 170.59 2x4r s GLN 115 N 2.59 2.50 -0.04 2.88 -1.52 0.11 -1.93 119.66 124.26 2x4r s GLN 115 Ca 0.14 -0.83 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 2x4r s GLN 115 Cb -0.15 -2.23 0.03 0.00 -0.22 0.00 0.00 33.01 30.43 2x4r s GLN 115 CO -0.18 0.48 -0.01 -0.47 -0.25 0.00 0.00 175.29 174.86 2x4r s TYR 116 N -0.39 0.43 0.12 0.91 5.04 -0.91 -0.74 117.35 121.81 2x4r s TYR 116 Ca 0.03 -0.05 0.09 0.00 -2.44 0.00 0.00 57.07 54.70 2x4r s TYR 116 Cb -0.12 -0.49 -0.04 0.00 0.35 0.00 0.00 41.96 41.66 2x4r s TYR 116 CO 0.02 -0.15 -0.21 0.00 -1.34 0.00 0.00 175.55 173.86 2x4r s ALA 117 N 1.06 1.91 -0.10 3.97 0.00 0.51 -1.31 121.76 127.80 2x4r s ALA 117 Ca -0.09 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.58 2x4r s ALA 117 Cb -0.14 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2x4r s ALA 117 CO -0.01 0.36 -0.20 -0.47 0.00 0.00 0.00 175.76 175.44 2x4r s TYR 118 N -1.30 2.25 -1.21 0.00 5.04 -0.31 -1.83 117.35 119.99 2x4r s TYR 118 Ca 0.09 -0.96 -0.01 0.00 -2.44 0.00 0.00 57.07 53.75 2x4r s TYR 118 Cb -0.09 -1.55 -0.00 0.00 0.35 0.00 0.00 41.96 40.67 2x4r s TYR 118 CO 0.05 -0.43 0.94 -0.25 -1.34 0.00 0.00 175.55 174.52 2x4r n ASP 119 N 3.76 -2.19 -2.88 4.32 8.00 -0.22 -2.27 116.55 125.06 2x4r n ASP 119 Ca -0.20 -0.67 -0.19 0.00 0.71 0.00 0.00 54.79 54.45 2x4r n ASP 119 Cb 0.52 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 2x4r n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4r n GLY 120 N -1.22 -0.50 3.19 0.44 0.00 -1.26 -4.95 105.19 100.89 2x4r n GLY 120 Ca -0.28 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 2x4r n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x4r s LYS 121 N -5.51 0.59 -0.00 1.61 2.20 -0.96 -5.12 119.74 112.54 2x4r s LYS 121 Ca 0.20 -0.22 -0.38 0.00 -0.36 0.00 0.00 55.97 55.22 2x4r s LYS 121 Cb -0.10 0.26 -0.17 0.00 -1.51 0.00 0.00 37.83 36.31 2x4r s LYS 121 CO 0.25 -0.15 1.39 -0.25 -0.36 0.00 0.00 175.35 176.22 2x4r n ASP 122 N 1.44 1.59 0.00 1.43 8.00 -1.26 -1.16 116.55 126.58 2x4r n ASP 122 Ca -0.21 1.12 -0.03 0.00 0.71 0.00 0.00 54.79 56.37 2x4r n ASP 122 Cb 0.56 -1.14 -0.01 0.00 -0.02 0.00 0.00 41.12 40.50 2x4r n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4r n TYR 123 N 2.95 0.00 -3.65 1.24 9.36 -0.43 -4.65 117.16 121.98 2x4r n TYR 123 Ca 0.20 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.27 2x4r n TYR 123 Cb 0.16 -0.17 -0.08 0.00 -0.63 0.00 0.00 39.34 38.62 2x4r n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2x4r s ILE 124 N -2.30 0.01 -0.04 2.97 2.07 -0.94 -1.31 121.20 121.65 2x4r s ILE 124 Ca -0.10 -0.10 -0.11 0.00 -1.41 0.00 0.00 60.65 58.93 2x4r s ILE 124 Cb 0.01 -0.82 0.02 0.00 0.13 0.00 0.00 42.46 41.80 2x4r s ILE 124 CO 0.15 -0.06 0.24 0.00 -1.91 0.00 0.00 174.94 173.36 2x4r s ALA 125 N -0.54 -0.61 0.07 1.50 0.00 -1.11 -2.14 121.76 118.93 2x4r s ALA 125 Ca -0.07 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 2x4r s ALA 125 Cb -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 2x4r s ALA 125 CO 0.05 -0.19 1.20 -1.17 0.00 0.00 0.00 175.76 175.64 2x4r s LEU 126 N -0.77 4.38 0.93 0.00 2.96 -0.82 -0.33 118.68 125.04 2x4r s LEU 126 Ca -0.09 2.03 -0.12 0.00 -0.22 0.00 0.00 54.13 55.74 2x4r s LEU 126 Cb -0.05 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.21 2x4r s LEU 126 CO 0.02 -0.46 1.10 -0.54 -1.32 0.00 0.00 176.35 175.15 2x4r s LYS 127 N 0.98 0.95 0.54 1.98 1.02 -0.51 -4.66 119.74 120.05 2x4r s LYS 127 Ca 0.58 0.54 0.35 0.00 0.02 0.00 0.00 55.97 57.46 2x4r s LYS 127 Cb -0.30 -1.80 1.66 0.00 -0.52 0.00 0.00 37.83 36.88 2x4r s LYS 127 CO 0.30 -2.38 2.06 1.49 -0.92 0.00 0.00 175.35 175.90 2x4r h GLU 128 N -1.64 0.00 -0.00 1.68 4.81 -1.91 -1.92 114.58 115.60 2x4r h GLU 128 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2x4r h GLU 128 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2x4r h GLU 128 CO 0.58 0.00 -0.21 -0.40 -0.73 0.00 0.00 179.01 178.25 2x4r n ASP 129 N -2.93 0.37 -1.02 1.04 5.75 -1.26 -4.83 116.55 113.67 2x4r n ASP 129 Ca -0.01 -0.17 -0.13 0.00 -0.01 0.00 0.00 54.79 54.48 2x4r n ASP 129 Cb 0.20 -0.09 -0.05 0.00 -1.03 0.00 0.00 41.12 40.16 2x4r n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2x4r n LEU 130 N -1.27 -0.99 0.00 -2.12 4.77 -0.72 -4.81 117.00 111.85 2x4r n LEU 130 Ca 0.09 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2x4r n LEU 130 Cb 0.32 -1.93 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 2x4r n LEU 130 CO 0.28 -0.60 -0.48 0.54 -1.33 0.00 0.00 177.39 175.80 2x4r n ARG 131 N -2.59 3.61 -4.61 3.23 1.74 -1.26 -4.50 116.66 112.27 2x4r n ARG 131 Ca -0.13 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.67 2x4r n ARG 131 Cb 0.43 -0.98 -0.10 0.00 -1.02 0.00 0.00 32.46 30.80 2x4r n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2x4r s SER 132 N -3.00 3.53 0.34 0.55 1.04 -1.26 -4.73 113.70 110.18 2x4r s SER 132 Ca 0.00 -1.48 0.07 0.00 0.48 0.00 0.00 55.95 55.02 2x4r s SER 132 Cb 0.00 0.01 -0.07 0.00 0.10 0.00 0.00 66.02 66.06 2x4r s SER 132 CO 0.00 -0.64 -0.03 0.26 0.98 0.00 0.00 173.24 173.81 2x4r s TRP 133 N -2.93 2.25 -0.38 5.02 0.52 -1.26 -1.42 118.94 120.74 2x4r s TRP 133 Ca 0.26 -0.68 0.01 0.00 0.02 0.00 0.00 56.10 55.71 2x4r s TRP 133 Cb 0.07 -1.42 0.12 0.00 -1.15 0.00 0.00 33.47 31.09 2x4r s TRP 133 CO 0.13 0.37 0.17 0.99 0.02 0.00 0.00 176.95 178.63 2x4r s THR 134 N -2.86 1.20 -0.43 2.01 2.01 0.55 -4.79 115.64 113.33 2x4r s THR 134 Ca 0.33 -2.07 -0.28 0.00 0.31 0.00 0.00 61.69 59.98 2x4r s THR 134 Cb 0.06 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.73 2x4r s THR 134 CO 0.16 -0.80 1.05 0.00 -0.69 0.00 0.00 174.62 174.34 2x4r s ALA 135 N 0.89 3.27 0.26 7.40 0.00 -1.26 -2.75 121.76 129.56 2x4r s ALA 135 Ca 0.14 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2x4r s ALA 135 Cb -0.21 -3.75 0.49 0.00 0.00 0.00 0.00 23.12 19.64 2x4r s ALA 135 CO -0.10 -1.98 1.62 0.00 0.00 0.00 0.00 175.76 175.31 2x4r h ALA 136 N 8.88 0.85 -3.02 0.00 0.00 -1.48 -3.45 119.26 121.03 2x4r h ALA 136 Ca -0.23 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2x4r h ALA 136 Cb 1.07 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2x4r h ALA 136 CO 1.07 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 2x4r n ASP 137 N -5.37 0.07 -0.14 0.00 5.68 -1.26 -5.04 116.55 110.50 2x4r n ASP 137 Ca 0.15 -0.61 -0.11 0.00 -0.50 0.00 0.00 54.79 53.72 2x4r n ASP 137 Cb 0.52 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.52 2x4r n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2x4r h MET 138 N 0.00 0.94 -0.51 0.11 1.85 -1.99 -2.69 114.93 112.64 2x4r h MET 138 Ca 0.00 -0.40 -0.04 0.00 -0.61 0.00 0.00 59.70 58.65 2x4r h MET 138 Cb 0.00 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 31.98 2x4r h MET 138 CO 0.00 1.07 0.18 0.00 -0.40 0.00 0.00 176.91 177.76 2x4r h ALA 139 N 0.92 0.67 0.00 0.39 0.00 -1.97 -2.76 119.26 116.50 2x4r h ALA 139 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2x4r h ALA 139 Cb 0.80 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2x4r h ALA 139 CO 0.07 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2x4r n ALA 140 N -2.35 1.47 -0.16 0.00 0.00 -1.10 -2.50 120.51 115.86 2x4r n ALA 140 Ca 0.02 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 2x4r n ALA 140 Cb 0.18 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 2x4r n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2x4r h GLN 141 N 0.00 0.88 -0.62 0.00 1.08 -1.17 -1.18 115.11 114.10 2x4r h GLN 141 Ca 0.00 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 2x4r h GLN 141 Cb 0.20 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 2x4r h GLN 141 CO 0.00 0.95 0.35 1.15 -0.95 0.00 0.00 178.83 180.33 2x4r h THR 142 N 0.73 1.18 -0.22 -0.54 2.02 -1.63 0.15 112.91 114.61 2x4r h THR 142 Ca 0.13 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 2x4r h THR 142 Cb 0.59 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2x4r h THR 142 CO 0.04 0.20 -0.25 0.74 0.37 0.00 0.00 175.52 176.61 2x4r h THR 143 N 0.85 1.33 -0.15 3.16 2.02 -1.65 -1.34 112.91 117.12 2x4r h THR 143 Ca 0.22 -1.43 0.05 0.00 0.77 0.00 0.00 66.41 66.02 2x4r h THR 143 Cb -0.00 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 2x4r h THR 143 CO -0.04 0.44 -0.31 0.50 0.37 0.00 0.00 175.52 176.48 2x4r h LYS 144 N 0.24 -0.36 -0.83 6.66 3.64 -0.32 -0.14 116.57 125.47 2x4r h LYS 144 Ca 0.03 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2x4r h LYS 144 Cb 0.81 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 2x4r h LYS 144 CO 0.06 -0.24 0.54 0.45 -2.27 0.00 0.00 179.45 177.99 2x4r h HIS 145 N -0.37 1.02 0.26 1.91 3.86 -0.76 -0.95 115.15 120.12 2x4r h HIS 145 Ca 0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2x4r h HIS 145 Cb 0.53 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2x4r h HIS 145 CO -0.41 0.61 -0.13 -0.22 0.86 0.00 0.00 177.93 178.65 2x4r h LYS 146 N 1.08 -0.34 -0.09 2.45 3.64 -0.47 -1.89 116.57 120.94 2x4r h LYS 146 Ca 0.32 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 2x4r h LYS 146 Cb -0.06 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2x4r h LYS 146 CO -0.09 -0.22 -0.41 -1.49 -2.27 0.00 0.00 179.45 174.97 2x4r h TRP 147 N -0.37 0.24 -0.37 1.91 6.55 -0.93 -2.68 115.95 120.30 2x4r h TRP 147 Ca -0.04 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 59.72 2x4r h TRP 147 Cb 0.28 -0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 28.51 2x4r h TRP 147 CO -0.06 0.59 0.16 0.93 -1.05 0.00 0.00 178.44 179.01 2x4r h GLU 148 N 0.17 0.55 0.00 0.49 5.08 -1.05 -1.70 114.58 118.12 2x4r h GLU 148 Ca 0.02 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2x4r h GLU 148 Cb 0.80 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2x4r h GLU 148 CO 0.06 0.51 -0.11 0.00 -1.00 0.00 0.00 179.01 178.47 2x4r h ALA 149 N 1.01 1.17 -0.49 3.43 0.00 -1.18 -2.94 119.26 120.26 2x4r h ALA 149 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x4r h ALA 149 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2x4r h ALA 149 CO -0.01 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2x4r n ALA 150 N -2.23 2.72 -4.26 0.00 0.00 -0.96 -4.96 120.51 110.82 2x4r n ALA 150 Ca -0.01 -1.57 -0.36 0.00 0.00 0.00 0.00 53.44 51.50 2x4r n ALA 150 Cb 0.27 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 2x4r n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x4r n HIS 151 N 0.68 -1.60 0.14 0.00 -0.00 -0.90 -4.82 115.22 108.72 2x4r n HIS 151 Ca 0.20 0.76 0.03 0.00 -0.00 0.00 0.00 57.72 58.72 2x4r n HIS 151 Cb 0.72 -2.83 0.41 0.00 -0.00 0.00 0.00 29.99 28.29 2x4r n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2x4r h VAL 152 N -1.45 1.17 -0.01 1.59 2.07 -1.61 -2.96 116.25 115.05 2x4r h VAL 152 Ca -0.60 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.04 2x4r h VAL 152 Cb 1.38 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2x4r h VAL 152 CO 0.78 0.23 -0.58 0.00 0.02 0.00 0.00 177.57 178.02 2x4r h ALA 153 N 1.68 1.02 0.03 1.67 0.00 -1.85 -2.61 119.26 119.21 2x4r h ALA 153 Ca 0.04 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2x4r h ALA 153 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2x4r h ALA 153 CO 0.02 0.72 -0.02 0.93 0.00 0.00 0.00 179.25 180.91 2x4r h GLU 154 N 0.03 -0.04 0.00 0.00 3.07 -1.76 0.85 114.58 116.73 2x4r h GLU 154 Ca -0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2x4r h GLU 154 Cb 1.03 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2x4r h GLU 154 CO 0.08 0.34 -0.07 -0.56 -1.40 0.00 0.00 179.01 177.39 2x4r h GLN 155 N -0.43 0.00 -0.01 2.33 3.07 -1.63 -0.11 115.11 118.33 2x4r h GLN 155 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 2x4r h GLN 155 Cb 0.40 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.97 2x4r h GLN 155 CO 0.01 0.07 -0.53 1.25 0.09 0.00 0.00 178.83 179.72 2x4r h LEU 156 N 0.00 0.49 -1.47 0.06 6.46 -1.33 -2.84 115.31 116.67 2x4r h LEU 156 Ca -0.00 -0.75 -0.01 0.00 -0.12 0.00 0.00 57.88 57.00 2x4r h LEU 156 Cb 0.58 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2x4r h LEU 156 CO 0.01 1.17 0.22 -0.09 -0.62 0.00 0.00 178.44 179.13 2x4r h ARG 157 N -0.15 0.58 -0.46 1.25 2.43 -0.42 -2.02 114.38 115.58 2x4r h ARG 157 Ca -0.06 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2x4r h ARG 157 Cb 1.24 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2x4r h ARG 157 CO 0.10 0.44 0.19 0.00 -1.51 0.00 0.00 179.97 179.19 2x4r h ALA 158 N 1.66 0.60 -0.12 2.80 0.00 -0.99 -2.05 119.26 121.16 2x4r h ALA 158 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2x4r h ALA 158 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2x4r h ALA 158 CO -0.02 0.20 -0.07 -0.92 0.00 0.00 0.00 179.25 178.43 2x4r h TYR 159 N 0.60 0.30 0.00 0.00 3.20 -1.24 -2.21 116.97 117.62 2x4r h TYR 159 Ca 0.15 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 2x4r h TYR 159 Cb 0.18 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2x4r h TYR 159 CO 0.00 0.62 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.79 2x4r h LEU 160 N -0.10 0.00 0.00 2.82 3.38 -1.32 0.23 115.31 120.31 2x4r h LEU 160 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2x4r h LEU 160 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2x4r h LEU 160 CO 0.02 0.28 -1.21 -0.62 0.09 0.00 0.00 178.44 177.01 2x4r n GLU 161 N -3.59 0.27 0.00 1.13 1.02 -0.78 -4.00 120.64 114.70 2x4r n GLU 161 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2x4r n GLU 161 Cb 0.42 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2x4r n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x4r n GLY 162 N 1.39 0.50 0.34 0.62 0.00 -0.83 -4.74 105.19 102.47 2x4r n GLY 162 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2x4r n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x4r h THR 163 N 0.00 0.67 0.83 2.61 2.02 -1.54 -0.71 112.91 116.79 2x4r h THR 163 Ca 0.00 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2x4r h THR 163 Cb 0.00 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.34 2x4r h THR 163 CO 0.00 0.12 -0.40 0.00 0.37 0.00 0.00 175.52 175.61 2x4r h VAL 165 N -1.15 1.23 0.00 0.00 -1.51 -1.61 -0.19 116.25 113.03 2x4r h VAL 165 Ca -0.11 -1.06 -0.06 0.00 -1.23 0.00 0.00 66.70 64.24 2x4r h VAL 165 Cb 0.86 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 2x4r h VAL 165 CO 0.19 0.33 -0.30 -0.33 -1.23 0.00 0.00 177.57 176.23 2x4r h GLU 166 N 0.35 0.00 0.12 5.19 5.08 -1.13 -2.14 114.58 122.05 2x4r h GLU 166 Ca 0.06 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.07 2x4r h GLU 166 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2x4r h GLU 166 CO 0.03 0.30 -1.92 -1.49 -1.00 0.00 0.00 179.01 174.94 2x4r h TRP 167 N 0.00 0.45 -0.55 4.33 4.06 -0.80 -2.85 115.95 120.59 2x4r h TRP 167 Ca -0.00 -0.33 0.11 0.00 2.06 0.00 0.00 58.89 60.73 2x4r h TRP 167 Cb 0.66 -0.02 -0.11 0.00 -1.00 0.00 0.00 29.16 28.69 2x4r h TRP 167 CO 0.00 1.67 -0.18 1.25 -3.56 0.00 0.00 178.44 177.62 2x4r h LEU 168 N 0.07 -0.65 -0.62 -4.49 5.85 -1.01 0.68 115.31 115.14 2x4r h LEU 168 Ca -0.39 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.57 2x4r h LEU 168 Cb 2.04 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 43.41 2x4r h LEU 168 CO 0.10 -0.22 0.32 0.03 -0.34 0.00 0.00 178.44 178.33 2x4r h ARG 169 N -0.05 0.58 -0.16 1.25 3.08 -1.46 -0.57 114.38 117.04 2x4r h ARG 169 Ca 0.26 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.30 2x4r h ARG 169 Cb 0.45 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2x4r h ARG 169 CO -0.59 0.38 -0.01 -0.09 -1.07 0.00 0.00 179.97 178.59 2x4r h ARG 170 N 0.59 0.04 -0.76 0.04 2.43 -0.93 -2.69 114.38 113.10 2x4r h ARG 170 Ca 0.28 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 2x4r h ARG 170 Cb 0.20 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2x4r h ARG 170 CO -0.19 0.03 0.32 1.88 -1.51 0.00 0.00 179.97 180.49 2x4r h TYR 171 N 0.04 1.12 0.00 2.20 0.05 -0.38 0.24 116.97 120.25 2x4r h TYR 171 Ca 0.07 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x4r h TYR 171 Cb 0.10 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 37.49 2x4r h TYR 171 CO -0.16 0.84 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.70 2x4r h LEU 172 N 1.09 0.00 0.07 3.88 3.38 -0.81 -0.99 115.31 121.94 2x4r h LEU 172 Ca 0.26 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.90 2x4r h LEU 172 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2x4r h LEU 172 CO -0.02 0.02 -1.82 -0.62 0.09 0.00 0.00 178.44 176.08 2x4r n GLU 173 N -3.65 0.69 0.24 1.13 1.02 -0.74 -2.52 120.64 116.81 2x4r n GLU 173 Ca -0.03 0.35 0.11 0.00 -0.02 0.00 0.00 57.16 57.58 2x4r n GLU 173 Cb 0.10 -1.70 0.72 0.00 -0.02 0.00 0.00 31.44 30.54 2x4r n GLU 173 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2x4r h ASN 174 N -0.31 0.00 -0.84 1.62 2.35 -0.37 -2.67 115.58 115.36 2x4r h ASN 174 Ca -0.42 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 54.92 2x4r h ASN 174 Cb 1.78 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.74 2x4r h ASN 174 CO -0.04 0.00 -0.99 0.61 -1.65 0.00 0.00 177.43 175.36 2x4r n GLY 175 N -1.49 3.63 0.24 2.83 0.00 -0.43 -4.79 105.19 105.18 2x4r n GLY 175 Ca -0.02 -1.83 0.17 0.00 0.00 0.00 0.00 46.02 44.35 2x4r n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2x4r h LYS 176 N 2.59 0.00 0.01 1.61 2.10 -1.17 0.28 116.57 121.99 2x4r h LYS 176 Ca 0.08 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.50 2x4r h LYS 176 Cb 1.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.55 2x4r h LYS 176 CO 0.52 0.00 -1.11 1.49 -2.00 0.00 0.00 179.45 178.35 2x4r h GLU 177 N 0.00 0.02 0.13 0.07 4.81 -1.86 -2.23 114.58 115.51 2x4r h GLU 177 Ca 0.00 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 58.84 2x4r h GLU 177 Cb 0.05 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2x4r h GLU 177 CO 0.00 0.95 -1.94 1.15 -0.73 0.00 0.00 179.01 178.44 2x4r h THR 178 N 0.01 0.67 0.00 0.32 2.02 -1.34 -3.39 112.91 111.19 2x4r h THR 178 Ca -0.05 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.77 2x4r h THR 178 Cb 1.82 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 70.76 2x4r h THR 178 CO 0.13 0.88 -1.62 0.18 0.37 0.00 0.00 175.52 175.46 2x4r n LEU 179 N -3.53 0.31 -1.93 2.58 4.77 0.76 -3.92 117.00 116.04 2x4r n LEU 179 Ca -0.31 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 2x4r n LEU 179 Cb 1.04 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 42.23 2x4r n LEU 179 CO 0.43 -0.03 0.95 0.00 -1.33 0.00 0.00 177.39 177.42 2x4r n GLN 180 N -2.29 2.56 -4.39 3.23 6.02 -0.84 -4.96 117.38 116.71 2x4r n GLN 180 Ca -0.02 -3.39 -0.29 0.00 -0.01 0.00 0.00 57.00 53.28 2x4r n GLN 180 Cb 0.54 -2.14 -0.12 0.00 1.02 0.00 0.00 30.24 29.54 2x4r n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2x4r s ARG 181 N -3.52 1.69 -0.11 -1.09 3.52 -1.25 -4.92 118.95 113.26 2x4r s ARG 181 Ca 0.55 -1.21 -0.01 0.00 -0.13 0.00 0.00 55.73 54.93 2x4r s ARG 181 Cb 0.46 -2.05 0.03 0.00 -1.56 0.00 0.00 34.95 31.83 2x4r s ARG 181 CO 0.02 0.48 -0.03 0.95 -0.81 0.00 0.00 175.30 175.91 2x4r s THR 182 N -1.08 0.74 -0.42 4.11 -4.23 -1.26 -4.68 115.64 108.82 2x4r s THR 182 Ca 0.16 -0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 60.25 2x4r s THR 182 Cb -0.10 -0.88 0.02 0.00 1.34 0.00 0.00 72.50 72.88 2x4r s THR 182 CO 0.08 0.25 0.75 -1.81 -0.54 0.00 0.00 174.62 173.35 2x4r s ASP 183 N 1.81 6.44 0.44 3.99 1.01 -0.58 -4.89 116.67 124.89 2x4r s ASP 183 Ca 0.04 0.00 -0.25 0.00 0.71 0.00 0.00 52.55 53.06 2x4r s ASP 183 Cb -0.13 -2.37 -0.08 0.00 1.01 0.00 0.00 42.92 41.35 2x4r s ASP 183 CO -0.07 -0.82 1.28 0.00 0.21 0.00 0.00 175.17 175.77 2x4r s ALA 184 N 3.14 3.12 0.40 5.23 0.00 -1.26 -0.25 121.76 132.14 2x4r s ALA 184 Ca 0.29 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 53.17 2x4r s ALA 184 Cb -0.13 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 2x4r s ALA 184 CO 0.20 -0.89 1.46 -2.30 0.00 0.00 0.00 175.76 174.23 2x4r n PRO 185 N -0.21 2.49 -3.12 0.00 -0.02 -1.26 -4.56 135.00 128.31 2x4r n PRO 185 Ca 0.06 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 2x4r n PRO 185 Cb 0.45 -2.64 -0.07 0.00 -0.02 0.00 0.00 33.50 31.23 2x4r n PRO 185 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2x4r s LYS 186 N -2.22 3.22 0.13 -0.52 3.01 0.21 -4.81 119.74 118.76 2x4r s LYS 186 Ca 0.56 -0.55 0.04 0.00 -1.01 0.00 0.00 55.97 55.02 2x4r s LYS 186 Cb -0.47 -4.00 -0.04 0.00 -1.01 0.00 0.00 37.83 32.31 2x4r s LYS 186 CO 0.61 -1.10 0.10 0.95 0.51 0.00 0.00 175.35 176.42 2x4r s THR 187 N 2.79 4.43 0.25 2.17 -4.23 -1.26 -1.31 115.64 118.49 2x4r s THR 187 Ca 0.20 -0.97 -0.21 0.00 -1.18 0.00 0.00 61.69 59.53 2x4r s THR 187 Cb -0.16 -3.20 0.06 0.00 1.34 0.00 0.00 72.50 70.54 2x4r s THR 187 CO 0.16 -0.00 0.90 -1.38 -0.54 0.00 0.00 174.62 173.76 2x4r s HIS 188 N -1.58 0.00 0.00 3.99 -3.43 -1.07 -4.99 115.29 108.21 2x4r s HIS 188 Ca 0.30 -0.47 0.07 0.00 -0.80 0.00 0.00 55.06 54.15 2x4r s HIS 188 Cb -0.11 0.73 -0.02 0.00 -1.43 0.00 0.00 32.58 31.75 2x4r s HIS 188 CO 0.22 -1.14 -0.21 -1.64 -2.00 0.00 0.00 174.74 169.97 2x4r s MET 189 N -2.72 1.61 0.37 -0.38 -1.94 -1.26 -0.94 119.30 114.03 2x4r s MET 189 Ca 0.16 -0.81 0.08 0.00 -1.71 0.00 0.00 55.69 53.41 2x4r s MET 189 Cb -0.04 -1.61 -0.06 0.00 2.01 0.00 0.00 34.83 35.14 2x4r s MET 189 CO 0.07 0.43 0.04 0.95 -0.01 0.00 0.00 175.02 176.50 2x4r s THR 190 N -0.59 2.40 -0.29 2.05 -4.23 -0.38 -4.99 115.64 109.61 2x4r s THR 190 Ca 0.08 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.69 2x4r s THR 190 Cb -0.08 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.06 2x4r s THR 190 CO 0.00 -0.12 0.48 -2.28 -0.54 0.00 0.00 174.62 172.16 2x4r s HIS 191 N -2.58 -1.33 0.56 3.99 2.46 -1.26 -1.97 115.29 115.15 2x4r s HIS 191 Ca 0.36 0.59 0.06 0.00 0.47 0.00 0.00 55.06 56.54 2x4r s HIS 191 Cb 0.03 0.02 0.06 0.00 -0.13 0.00 0.00 32.58 32.57 2x4r s HIS 191 CO 0.20 -1.03 0.77 -1.01 -2.47 0.00 0.00 174.74 171.20 2x4r s HIS 192 N 2.63 2.10 -0.48 3.88 3.76 -0.68 -4.95 115.29 121.54 2x4r s HIS 192 Ca 0.10 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 2x4r s HIS 192 Cb -0.11 -2.52 0.12 0.00 1.11 0.00 0.00 32.58 31.18 2x4r s HIS 192 CO -0.28 -1.01 0.22 0.00 -0.85 0.00 0.00 174.74 172.81 2x4r s ALA 193 N -2.69 3.22 0.09 -1.40 0.00 -1.26 -2.70 121.76 117.02 2x4r s ALA 193 Ca 0.60 -3.08 -0.27 0.00 0.00 0.00 0.00 51.96 49.21 2x4r s ALA 193 Cb -0.08 -2.15 -0.13 0.00 0.00 0.00 0.00 23.12 20.76 2x4r s ALA 193 CO 0.38 -1.94 1.67 0.28 0.00 0.00 0.00 175.76 176.15 2x4r h VAL 194 N 5.78 0.59 0.00 0.00 2.07 -1.90 -3.47 116.25 119.31 2x4r h VAL 194 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2x4r h VAL 194 Cb 0.93 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2x4r h VAL 194 CO 0.65 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.70 2x4r n SER 195 N -5.32 0.00 -0.03 0.57 3.41 -1.20 -5.03 113.62 106.02 2x4r n SER 195 Ca -0.09 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.53 2x4r n SER 195 Cb 0.23 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2x4r n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2x4r n ASP 196 N 0.00 0.58 0.00 4.04 5.75 -1.26 -4.65 116.55 121.01 2x4r n ASP 196 Ca 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 2x4r n ASP 196 Cb 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2x4r n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x4r n HIS 197 N -0.48 0.00 -4.14 2.11 1.44 -1.26 -5.00 115.22 107.88 2x4r n HIS 197 Ca 0.01 -0.03 -0.09 0.00 -2.01 0.00 0.00 57.72 55.60 2x4r n HIS 197 Cb 0.03 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.03 2x4r n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2x4r s GLU 198 N -0.05 0.81 -0.13 -1.40 0.41 -1.26 -2.35 118.70 114.72 2x4r s GLU 198 Ca 0.00 -1.34 -0.27 0.00 -0.41 0.00 0.00 54.97 52.94 2x4r s GLU 198 Cb 0.00 0.08 0.07 0.00 -1.78 0.00 0.00 34.13 32.49 2x4r s GLU 198 CO 0.00 -0.14 0.66 0.00 -0.49 0.00 0.00 175.26 175.29 2x4r s ALA 199 N -3.87 -1.68 -0.15 5.21 0.00 -1.06 -3.26 121.76 116.96 2x4r s ALA 199 Ca 0.15 1.49 -0.19 0.00 0.00 0.00 0.00 51.96 53.41 2x4r s ALA 199 Cb 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2x4r s ALA 199 CO -0.04 -0.34 0.52 0.99 0.00 0.00 0.00 175.76 176.89 2x4r s THR 200 N -0.60 5.14 -0.32 0.00 2.01 -1.10 -1.69 115.64 119.08 2x4r s THR 200 Ca -0.07 1.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.92 2x4r s THR 200 Cb -0.02 -3.85 0.06 0.00 0.01 0.00 0.00 72.50 68.70 2x4r s THR 200 CO 0.06 0.26 0.04 -0.22 -0.69 0.00 0.00 174.62 174.06 2x4r s LEU 201 N 1.06 4.19 -0.19 4.42 2.96 -0.58 -1.69 118.68 128.85 2x4r s LEU 201 Ca 0.26 -1.46 -0.03 0.00 -0.22 0.00 0.00 54.13 52.69 2x4r s LEU 201 Cb -0.15 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2x4r s LEU 201 CO 0.11 -0.32 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.16 2x4r s ARG 202 N 1.21 3.43 -0.13 1.98 3.52 -0.83 -2.01 118.95 126.12 2x4r s ARG 202 Ca -0.02 -0.62 -0.15 0.00 -0.13 0.00 0.00 55.73 54.81 2x4r s ARG 202 Cb -0.20 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.24 2x4r s ARG 202 CO -0.02 -0.02 0.37 0.00 -0.81 0.00 0.00 175.30 174.81 2x4r s TRP 204 N 0.36 2.67 -0.17 0.00 0.52 -0.12 -1.83 118.94 120.37 2x4r s TRP 204 Ca 0.21 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2x4r s TRP 204 Cb -0.14 -1.67 0.03 0.00 -1.15 0.00 0.00 33.47 30.53 2x4r s TRP 204 CO 0.07 0.01 -0.16 0.00 0.02 0.00 0.00 176.95 176.89 2x4r s ALA 205 N -0.35 2.10 0.14 0.98 0.00 0.25 -2.59 121.76 122.28 2x4r s ALA 205 Ca 0.03 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.94 2x4r s ALA 205 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2x4r s ALA 205 CO 0.02 -0.48 -0.17 -0.51 0.00 0.00 0.00 175.76 174.62 2x4r s LEU 206 N 1.37 2.40 -1.44 0.00 1.43 -0.42 -1.10 118.68 120.92 2x4r s LEU 206 Ca 0.03 -0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 52.24 2x4r s LEU 206 Cb -0.14 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.39 2x4r s LEU 206 CO -0.11 -0.05 0.90 -0.24 0.23 0.00 0.00 176.35 177.08 2x4r n SER 207 N 0.55 -3.63 -4.67 2.29 2.88 -0.91 0.68 113.62 110.80 2x4r n SER 207 Ca -0.15 -0.77 -0.26 0.00 -1.33 0.00 0.00 58.87 56.35 2x4r n SER 207 Cb 0.56 -4.06 -0.07 0.00 -0.75 0.00 0.00 64.21 59.89 2x4r n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2x4r s PHE 208 N -3.43 2.85 -0.16 0.66 -0.12 -1.10 -4.61 117.98 112.07 2x4r s PHE 208 Ca 0.42 -0.14 -0.11 0.00 -0.05 0.00 0.00 56.93 57.05 2x4r s PHE 208 Cb -0.21 -1.36 0.05 0.00 -0.63 0.00 0.00 43.02 40.87 2x4r s PHE 208 CO 0.81 0.53 0.40 -0.47 -0.05 0.00 0.00 175.22 176.44 2x4r s TYR 209 N -1.81 -0.52 0.00 3.49 5.04 0.65 -1.25 117.35 122.96 2x4r s TYR 209 Ca 0.28 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 2x4r s TYR 209 Cb -0.09 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.43 2x4r s TYR 209 CO 0.19 -0.28 0.00 -2.30 -1.34 0.00 0.00 175.55 171.82 2x4r n PRO 210 N 3.61 1.04 -0.03 4.97 -0.02 -1.26 -1.53 135.00 141.78 2x4r n PRO 210 Ca -0.19 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.14 2x4r n PRO 210 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.00 2x4r n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x4r h ALA 211 N -1.74 0.41 -1.79 3.55 0.00 -1.96 -3.45 119.26 114.28 2x4r h ALA 211 Ca 0.00 -0.57 -0.68 0.00 0.00 0.00 0.00 54.91 53.66 2x4r h ALA 211 Cb 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.78 2x4r h ALA 211 CO 0.00 0.69 0.86 -1.91 0.00 0.00 0.00 179.25 178.89 2x4r n GLU 212 N -3.95 1.55 -3.54 0.00 4.07 -1.26 -4.94 120.64 112.57 2x4r n GLU 212 Ca -0.06 0.56 -0.13 0.00 -0.06 0.00 0.00 57.16 57.47 2x4r n GLU 212 Cb 0.70 -2.29 -0.05 0.00 -0.06 0.00 0.00 31.44 29.74 2x4r n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2x4r s ILE 213 N 2.78 0.03 -0.10 6.31 2.07 -1.26 -4.71 121.20 126.31 2x4r s ILE 213 Ca 0.92 -0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 59.94 2x4r s ILE 213 Cb -0.90 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.71 2x4r s ILE 213 CO 0.55 -0.12 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.52 2x4r s THR 214 N -2.77 0.84 -0.15 4.00 2.01 -0.87 -5.01 115.64 113.69 2x4r s THR 214 Ca -0.03 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2x4r s THR 214 Cb -0.00 -0.90 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 2x4r s THR 214 CO -0.04 0.34 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.32 2x4r s LEU 215 N 1.76 2.53 -0.03 4.42 1.43 -1.26 -0.85 118.68 126.68 2x4r s LEU 215 Ca 0.05 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2x4r s LEU 215 Cb -0.13 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.53 2x4r s LEU 215 CO -0.07 0.09 -0.06 0.42 0.23 0.00 0.00 176.35 176.96 2x4r s THR 216 N 0.77 0.60 0.03 5.49 -4.23 -0.55 -4.97 115.64 112.77 2x4r s THR 216 Ca -0.06 -0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.12 2x4r s THR 216 Cb -0.15 -0.56 -0.05 0.00 1.34 0.00 0.00 72.50 73.07 2x4r s THR 216 CO 0.01 0.21 0.36 0.26 -0.54 0.00 0.00 174.62 174.92 2x4r s TRP 217 N 0.42 3.63 -0.01 3.99 0.52 -1.26 0.04 118.94 126.26 2x4r s TRP 217 Ca -0.06 0.80 0.02 0.00 0.02 0.00 0.00 56.10 56.89 2x4r s TRP 217 Cb -0.10 -2.16 -0.00 0.00 -1.15 0.00 0.00 33.47 30.06 2x4r s TRP 217 CO 0.00 0.59 -0.08 -0.65 0.02 0.00 0.00 176.95 176.83 2x4r s GLN 218 N -1.57 0.74 -0.23 4.98 -0.21 0.17 -0.90 119.66 122.64 2x4r s GLN 218 Ca 0.28 -0.28 -0.05 0.00 0.02 0.00 0.00 55.36 55.33 2x4r s GLN 218 Cb -0.14 -0.71 -0.02 0.00 1.00 0.00 0.00 33.01 33.14 2x4r s GLN 218 CO 0.15 0.14 0.00 0.50 -2.12 0.00 0.00 175.29 173.96 2x4r s ARG 219 N -0.00 3.52 -1.48 2.91 3.52 -0.34 -1.41 118.95 125.67 2x4r s ARG 219 Ca 0.00 -0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 55.04 2x4r s ARG 219 Cb -0.05 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 2x4r s ARG 219 CO -0.00 -0.15 0.15 -0.25 -0.81 0.00 0.00 175.30 174.24 2x4r n ASP 220 N 4.72 -5.15 0.00 -2.12 8.00 -0.28 -0.29 116.55 121.42 2x4r n ASP 220 Ca -0.17 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2x4r n ASP 220 Cb 0.51 -4.28 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 2x4r n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4r n GLY 221 N -1.05 0.87 3.45 0.44 0.00 -1.26 -5.01 105.19 102.62 2x4r n GLY 221 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2x4r n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4r s GLU 222 N -0.16 3.46 0.28 1.61 2.02 0.60 -5.03 118.70 121.48 2x4r s GLU 222 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 2x4r s GLU 222 Cb 0.00 -3.51 -0.13 0.00 0.10 0.00 0.00 34.13 30.59 2x4r s GLU 222 CO 0.00 -0.34 1.37 -0.25 0.02 0.00 0.00 175.26 176.06 2x4r n ASP 223 N 4.97 2.80 -2.14 -0.19 8.00 -1.26 -1.20 116.55 127.52 2x4r n ASP 223 Ca -0.14 1.16 -0.29 0.00 0.71 0.00 0.00 54.79 56.23 2x4r n ASP 223 Cb 0.50 -1.45 0.07 0.00 -0.02 0.00 0.00 41.12 40.21 2x4r n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4r n GLN 224 N 1.55 2.96 -0.27 -1.24 1.13 -0.08 -4.76 117.38 116.68 2x4r n GLN 224 Ca 0.09 -3.60 0.08 0.00 -1.94 0.00 0.00 57.00 51.63 2x4r n GLN 224 Cb 0.33 -2.25 0.32 0.00 0.11 0.00 0.00 30.24 28.75 2x4r n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2x4r h THR 225 N 1.43 0.96 0.00 5.09 1.35 -1.92 -0.11 112.91 119.71 2x4r h THR 225 Ca 0.50 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 2x4r h THR 225 Cb 1.21 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2x4r h THR 225 CO 1.20 0.15 0.00 0.00 -0.25 0.00 0.00 175.52 176.62 2x4r n GLN 226 N -4.53 0.15 -0.08 4.72 1.13 -1.26 -3.39 117.38 114.13 2x4r n GLN 226 Ca 0.15 0.24 0.06 0.00 -1.94 0.00 0.00 57.00 55.51 2x4r n GLN 226 Cb 0.32 -1.72 0.08 0.00 0.11 0.00 0.00 30.24 29.03 2x4r n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2x4r n ASP 227 N -1.99 1.92 -4.62 1.08 8.00 -0.14 -5.02 116.55 115.76 2x4r n ASP 227 Ca 0.04 -2.55 -0.34 0.00 0.71 0.00 0.00 54.79 52.65 2x4r n ASP 227 Cb 0.31 -0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 2x4r n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4r s THR 228 N -1.90 4.14 -0.47 -3.53 2.01 -0.66 -4.52 115.64 110.70 2x4r s THR 228 Ca 0.18 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.67 2x4r s THR 228 Cb 0.15 -2.75 0.04 0.00 0.01 0.00 0.00 72.50 69.95 2x4r s THR 228 CO 0.02 0.58 0.65 -0.70 -0.69 0.00 0.00 174.62 174.47 2x4r s GLU 229 N -0.56 3.22 -0.26 4.92 2.12 -0.06 -4.94 118.70 123.14 2x4r s GLU 229 Ca 0.09 -0.56 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 2x4r s GLU 229 Cb -0.12 -4.01 0.01 0.00 0.26 0.00 0.00 34.13 30.27 2x4r s GLU 229 CO 0.02 -1.12 -0.01 -1.17 -0.54 0.00 0.00 175.26 172.45 2x4r s LEU 230 N 2.82 3.36 0.34 2.70 2.96 -1.26 -1.26 118.68 128.34 2x4r s LEU 230 Ca 0.20 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 2x4r s LEU 230 Cb -0.16 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 2x4r s LEU 230 CO 0.16 -0.13 0.67 0.68 -1.32 0.00 0.00 176.35 176.41 2x4r s VAL 231 N 1.42 4.88 0.70 1.68 -7.23 -1.05 -5.05 120.40 115.74 2x4r s VAL 231 Ca 0.02 0.42 -0.14 0.00 -1.81 0.00 0.00 61.98 60.47 2x4r s VAL 231 Cb -0.16 -3.71 0.02 0.00 0.56 0.00 0.00 36.38 33.08 2x4r s VAL 231 CO -0.02 -0.39 1.12 -1.61 -0.31 0.00 0.00 175.10 173.90 2x4r s GLU 232 N -3.60 2.55 -0.33 4.82 2.02 -1.26 -4.58 118.70 118.33 2x4r s GLU 232 Ca 0.48 1.41 -0.29 0.00 0.02 0.00 0.00 54.97 56.60 2x4r s GLU 232 Cb -0.11 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2x4r s GLU 232 CO 0.29 -1.45 1.64 0.99 0.02 0.00 0.00 175.26 176.75 2x4r s THR 233 N -2.40 3.65 0.42 3.63 2.01 -1.26 -4.83 115.64 116.87 2x4r s THR 233 Ca 0.67 0.68 0.06 0.00 0.31 0.00 0.00 61.69 63.41 2x4r s THR 233 Cb -0.21 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.49 2x4r s THR 233 CO 0.45 -0.48 0.59 0.00 -0.69 0.00 0.00 174.62 174.49 2x4r s ARG 234 N 5.22 2.86 -0.18 4.92 1.70 -1.09 -4.94 118.95 127.44 2x4r s ARG 234 Ca 0.73 -1.06 -0.10 0.00 -0.47 0.00 0.00 55.73 54.82 2x4r s ARG 234 Cb -0.20 -2.71 -0.05 0.00 -0.57 0.00 0.00 34.95 31.41 2x4r s ARG 234 CO 0.32 -0.27 0.16 -1.25 -1.08 0.00 0.00 175.30 173.19 2x4r s PRO 235 N -4.39 4.09 0.48 3.89 0.04 -1.26 -1.83 135.00 136.02 2x4r s PRO 235 Ca 0.53 -0.14 0.32 0.00 0.04 0.00 0.00 61.00 61.74 2x4r s PRO 235 Cb -0.10 -3.39 1.33 0.00 0.04 0.00 0.00 34.50 32.38 2x4r s PRO 235 CO 0.34 0.36 1.94 0.00 0.04 0.00 0.00 177.00 179.68 2x4r h ALA 236 N 6.40 1.00 0.00 8.56 0.00 -1.02 -3.46 119.26 130.73 2x4r h ALA 236 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2x4r h ALA 236 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2x4r h ALA 236 CO 0.73 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2x4r n GLY 237 N -0.04 0.73 0.02 0.00 0.00 -1.26 -4.88 105.19 99.76 2x4r n GLY 237 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2x4r n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x4r n ASP 238 N 0.00 2.06 0.00 1.61 5.75 -1.26 -4.96 116.55 119.75 2x4r n ASP 238 Ca 0.00 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 2x4r n ASP 238 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 2x4r n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x4r n GLY 239 N -0.76 0.73 3.75 6.12 0.00 -1.26 -5.07 105.19 108.69 2x4r n GLY 239 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2x4r n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x4r s THR 240 N -2.39 2.15 0.34 2.61 -4.23 -1.26 -4.88 115.64 107.98 2x4r s THR 240 Ca 0.00 -1.71 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 2x4r s THR 240 Cb 0.00 -2.86 -0.07 0.00 1.34 0.00 0.00 72.50 70.91 2x4r s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 2x4r s PHE 241 N -2.64 2.28 0.16 3.99 0.08 -0.38 -0.39 117.98 121.08 2x4r s PHE 241 Ca 0.38 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.82 2x4r s PHE 241 Cb 0.03 -1.39 -0.05 0.00 -0.57 0.00 0.00 43.02 41.05 2x4r s PHE 241 CO 0.21 0.43 -0.02 -0.65 -0.10 0.00 0.00 175.22 175.09 2x4r s GLN 242 N -3.68 1.09 -0.09 0.44 -0.21 -0.76 -2.15 119.66 114.29 2x4r s GLN 242 Ca 0.33 -1.51 -0.30 0.00 0.02 0.00 0.00 55.36 53.89 2x4r s GLN 242 Cb 0.05 -0.33 0.12 0.00 1.00 0.00 0.00 33.01 33.85 2x4r s GLN 242 CO 0.16 -0.09 0.98 0.21 -2.12 0.00 0.00 175.29 174.43 2x4r s LYS 243 N -3.88 0.65 0.07 2.91 2.20 -0.26 -2.68 119.74 118.76 2x4r s LYS 243 Ca 0.22 -0.11 -0.17 0.00 -0.36 0.00 0.00 55.97 55.54 2x4r s LYS 243 Cb 0.05 0.30 0.03 0.00 -1.51 0.00 0.00 37.83 36.71 2x4r s LYS 243 CO 0.03 -0.26 0.40 1.67 -0.36 0.00 0.00 175.35 176.83 2x4r s TRP 244 N -2.30 -0.24 -0.03 4.03 1.48 -1.26 -0.59 118.94 120.05 2x4r s TRP 244 Ca 0.03 0.12 0.01 0.00 -1.06 0.00 0.00 56.10 55.20 2x4r s TRP 244 Cb -0.01 0.22 0.02 0.00 -1.16 0.00 0.00 33.47 32.54 2x4r s TRP 244 CO -0.05 -0.60 -0.02 0.00 -4.06 0.00 0.00 176.95 172.22 2x4r s ALA 245 N -2.84 0.41 0.04 2.67 0.00 -0.76 -2.53 121.76 118.75 2x4r s ALA 245 Ca -0.03 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.02 2x4r s ALA 245 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2x4r s ALA 245 CO -0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 175.76 175.49 2x4r s ALA 246 N 0.65 1.81 0.15 0.00 0.00 -0.39 -1.13 121.76 122.86 2x4r s ALA 246 Ca -0.07 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 50.92 2x4r s ALA 246 Cb -0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2x4r s ALA 246 CO -0.01 0.41 -0.20 0.14 0.00 0.00 0.00 175.76 176.10 2x4r s VAL 247 N -0.76 1.91 -0.24 0.00 -7.23 -0.85 -0.88 120.40 112.35 2x4r s VAL 247 Ca 0.08 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 2x4r s VAL 247 Cb -0.09 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 2x4r s VAL 247 CO 0.01 -0.21 0.19 -0.69 -0.31 0.00 0.00 175.10 174.10 2x4r s VAL 248 N -1.75 5.34 -0.13 1.32 1.01 -1.26 -1.53 120.40 123.40 2x4r s VAL 248 Ca 0.15 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2x4r s VAL 248 Cb -0.07 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2x4r s VAL 248 CO 0.07 0.33 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 2x4r s VAL 249 N 1.12 3.66 -0.33 2.92 1.01 -0.68 -4.97 120.40 123.12 2x4r s VAL 249 Ca 0.09 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 2x4r s VAL 249 Cb -0.14 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2x4r s VAL 249 CO 0.05 0.52 1.61 -2.84 0.00 0.00 0.00 175.10 174.44 2x4r s PRO 250 N 0.15 3.54 0.13 2.72 0.02 -1.26 -2.56 135.00 137.74 2x4r s PRO 250 Ca -0.03 1.30 -0.22 0.00 0.02 0.00 0.00 61.00 62.08 2x4r s PRO 250 Cb -0.14 -4.09 -0.13 0.00 0.02 0.00 0.00 34.50 30.16 2x4r s PRO 250 CO 0.03 -1.61 0.43 0.43 -0.33 0.00 0.00 177.00 175.96 2x4r n SER 251 N 9.28 -0.80 0.00 2.53 7.64 -0.99 -1.35 113.62 129.92 2x4r n SER 251 Ca 0.19 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.91 2x4r n SER 251 Cb 0.47 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2x4r n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x4r n GLY 252 N 1.42 2.81 0.02 0.23 0.00 -1.26 -4.86 105.19 103.55 2x4r n GLY 252 Ca 0.13 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2x4r n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x4r n GLN 253 N 0.00 1.03 -0.35 1.61 6.02 -0.46 -3.97 117.38 121.26 2x4r n GLN 253 Ca 0.00 -0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.05 2x4r n GLN 253 Cb 0.00 -1.11 0.29 0.00 1.02 0.00 0.00 30.24 30.44 2x4r n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2x4r h GLU 254 N 0.07 0.85 -0.86 -1.09 3.07 -1.89 -0.33 114.58 114.39 2x4r h GLU 254 Ca 0.00 -0.05 0.20 0.00 -0.50 0.00 0.00 59.36 59.01 2x4r h GLU 254 Cb 0.02 -0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 27.68 2x4r h GLU 254 CO 0.00 0.56 0.58 0.37 -1.40 0.00 0.00 179.01 179.12 2x4r h GLN 255 N 0.87 0.31 0.00 2.33 -0.00 -1.83 -1.88 115.11 114.92 2x4r h GLN 255 Ca 0.54 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.17 2x4r h GLN 255 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.11 2x4r h GLN 255 CO -0.32 0.21 0.00 0.54 0.00 0.00 0.00 178.83 179.26 2x4r n ARG 256 N -4.46 0.12 -4.46 1.69 1.74 -0.14 -4.82 116.66 106.33 2x4r n ARG 256 Ca 0.18 0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.97 2x4r n ARG 256 Cb 0.71 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.55 2x4r n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2x4r s TYR 257 N -2.86 3.07 -0.00 -1.55 2.02 -0.71 -1.13 117.35 116.18 2x4r s TYR 257 Ca 0.16 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2x4r s TYR 257 Cb 0.17 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2x4r s TYR 257 CO 0.44 0.34 -0.00 0.95 -1.57 0.00 0.00 175.55 175.71 2x4r s THR 258 N -0.65 0.04 -0.11 -0.71 -4.23 -0.50 -4.26 115.64 105.22 2x4r s THR 258 Ca 0.10 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.53 2x4r s THR 258 Cb -0.12 -0.06 -0.05 0.00 1.34 0.00 0.00 72.50 73.61 2x4r s THR 258 CO 0.02 0.03 0.21 0.00 -0.54 0.00 0.00 174.62 174.34 2x4r s HIS 260 N -0.75 2.73 -0.17 0.00 3.76 0.11 0.75 115.29 121.72 2x4r s HIS 260 Ca 0.16 -1.33 -0.03 0.00 -0.15 0.00 0.00 55.06 53.71 2x4r s HIS 260 Cb -0.13 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.67 2x4r s HIS 260 CO 0.05 -0.62 -0.05 0.08 -0.85 0.00 0.00 174.74 173.36 2x4r s VAL 261 N 0.94 3.69 -0.15 -0.90 1.01 -0.10 -1.48 120.40 123.41 2x4r s VAL 261 Ca -0.03 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2x4r s VAL 261 Cb -0.15 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2x4r s VAL 261 CO -0.04 0.47 -0.18 -1.10 0.00 0.00 0.00 175.10 174.25 2x4r s GLN 262 N 0.66 3.11 -0.06 2.72 -0.21 -0.03 -1.68 119.66 124.17 2x4r s GLN 262 Ca -0.03 -0.80 -0.15 0.00 0.02 0.00 0.00 55.36 54.41 2x4r s GLN 262 Cb -0.15 -2.55 0.03 0.00 1.00 0.00 0.00 33.01 31.34 2x4r s GLN 262 CO 0.02 -0.03 0.34 -1.58 -2.12 0.00 0.00 175.29 171.92 2x4r s HIS 263 N 0.89 -0.28 -0.17 0.91 2.46 -1.26 -2.04 115.29 115.81 2x4r s HIS 263 Ca -0.04 0.55 0.28 0.00 0.47 0.00 0.00 55.06 56.32 2x4r s HIS 263 Cb -0.15 0.12 1.25 0.00 -0.13 0.00 0.00 32.58 33.67 2x4r s HIS 263 CO -0.02 -0.33 1.85 1.05 -2.47 0.00 0.00 174.74 174.82 2x4r h GLU 264 N 4.46 0.00 -0.03 2.88 4.11 -1.94 -1.19 114.58 122.87 2x4r h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2x4r h GLU 264 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2x4r h GLU 264 CO 0.36 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.85 2x4r n GLY 265 N -0.26 -0.67 3.70 1.06 0.00 -1.26 -4.81 105.19 102.95 2x4r n GLY 265 Ca 0.01 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2x4r n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4r s LEU 266 N -1.69 3.75 0.03 0.99 1.43 -0.45 -4.36 118.68 118.38 2x4r s LEU 266 Ca 0.33 0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 2x4r s LEU 266 Cb 0.16 -1.89 -0.15 0.00 0.03 0.00 0.00 46.19 44.34 2x4r s LEU 266 CO 0.26 0.33 1.34 -0.65 0.23 0.00 0.00 176.35 177.87 2x4r h PRO 267 N 5.51 0.31 -6.39 1.29 0.11 -1.87 -3.45 132.00 127.51 2x4r h PRO 267 Ca -0.48 -0.16 -0.62 0.00 0.11 0.00 0.00 66.00 64.85 2x4r h PRO 267 Cb 1.19 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.06 2x4r h PRO 267 CO 0.58 0.70 -0.85 0.15 -0.21 0.00 0.00 178.00 178.37 2x4r s LYS 268 N -4.33 1.43 0.36 1.05 -0.14 -1.26 -5.11 119.74 111.73 2x4r s LYS 268 Ca -0.14 -1.09 -0.27 0.00 -1.36 0.00 0.00 55.97 53.10 2x4r s LYS 268 Cb 0.05 -1.65 -0.12 0.00 -1.68 0.00 0.00 37.83 34.42 2x4r s LYS 268 CO 0.74 0.41 1.22 -2.30 -0.76 0.00 0.00 175.35 174.66 2x4r n PRO 269 N 1.51 1.90 -3.34 -1.68 -0.02 -1.26 -4.96 135.00 127.15 2x4r n PRO 269 Ca -0.18 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 2x4r n PRO 269 Cb 0.53 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 2x4r n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x4r s LEU 270 N -0.87 4.43 -0.33 2.45 1.43 -0.68 -4.94 118.68 120.17 2x4r s LEU 270 Ca 0.58 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 2x4r s LEU 270 Cb -0.58 -2.75 0.08 0.00 0.03 0.00 0.00 46.19 42.97 2x4r s LEU 270 CO 0.61 0.19 0.04 -0.89 0.23 0.00 0.00 176.35 176.53 2x4r s THR 271 N -0.49 2.72 -0.07 5.49 2.01 -1.26 -0.93 115.64 123.11 2x4r s THR 271 Ca 0.27 -1.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.32 2x4r s THR 271 Cb -0.17 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 2x4r s THR 271 CO 0.15 -0.36 0.26 -0.76 -0.69 0.00 0.00 174.62 173.22 2x4r s LEU 272 N 1.11 4.42 0.05 4.42 1.02 0.23 -4.91 118.68 125.02 2x4r s LEU 272 Ca 0.01 0.69 0.04 0.00 0.02 0.00 0.00 54.13 54.89 2x4r s LEU 272 Cb -0.20 -2.31 -0.02 0.00 0.02 0.00 0.00 46.19 43.68 2x4r s LEU 272 CO -0.04 0.36 -0.11 -0.13 0.02 0.00 0.00 176.35 176.45 2x4r s ARG 273 N -1.01 0.70 -1.14 1.70 0.52 -1.26 -0.37 118.95 118.10 2x4r s ARG 273 Ca 0.19 -0.79 -0.16 0.00 -0.52 0.00 0.00 55.73 54.45 2x4r s ARG 273 Cb -0.14 -0.61 0.15 0.00 0.52 0.00 0.00 34.95 34.86 2x4r s ARG 273 CO 0.08 0.14 1.39 -0.46 0.02 0.00 0.00 175.30 176.46 2x4r s TRP 274 N -1.15 3.29 0.00 -0.53 -0.11 -1.26 -5.05 118.94 114.13 2x4r s TRP 274 Ca -0.04 -1.84 0.00 0.00 1.22 0.00 0.00 56.10 55.44 2x4r s TRP 274 Cb -0.09 -4.37 0.00 0.00 -1.50 0.00 0.00 33.47 27.51 2x4r s TRP 274 CO 0.01 -1.48 0.00 -1.91 -4.62 0.00 0.00 176.95 168.95