#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpm s SER 2 N 0.00 6.58 0.05 1.61 0.01 -1.26 -2.92 113.70 117.76 3kpm s SER 2 Ca 0.00 0.76 -0.02 0.00 1.31 0.00 0.00 55.95 58.00 3kpm s SER 2 Cb 0.00 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 3kpm s SER 2 CO 0.00 0.04 -0.00 -1.00 0.41 0.00 0.00 173.24 172.69 3kpm s HIS 3 N -1.64 0.43 0.08 2.43 0.09 -0.34 -4.99 115.29 111.34 3kpm s HIS 3 Ca 0.41 -0.91 0.04 0.00 -0.00 0.00 0.00 55.06 54.60 3kpm s HIS 3 Cb -0.12 -0.32 -0.03 0.00 -0.00 0.00 0.00 32.58 32.11 3kpm s HIS 3 CO 0.22 -0.36 -0.12 -1.54 -0.00 0.00 0.00 174.74 172.94 3kpm s SER 4 N -2.64 1.48 -0.05 1.40 1.04 -1.26 -0.42 113.70 113.25 3kpm s SER 4 Ca 0.03 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.83 3kpm s SER 4 Cb 0.04 -0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 3kpm s SER 4 CO -0.08 -0.15 -0.16 -0.32 0.98 0.00 0.00 173.24 173.50 3kpm s MET 5 N -2.03 1.77 -0.05 4.02 -2.45 -0.06 -0.83 119.30 119.67 3kpm s MET 5 Ca -0.01 -0.58 -0.04 0.00 -1.25 0.00 0.00 55.69 53.81 3kpm s MET 5 Cb -0.08 -1.53 0.01 0.00 1.25 0.00 0.00 34.83 34.49 3kpm s MET 5 CO 0.01 0.21 0.12 1.03 1.05 0.00 0.00 175.02 177.45 3kpm s ARG 6 N 0.11 0.13 -0.08 4.11 1.81 -0.33 -1.52 118.95 123.19 3kpm s ARG 6 Ca -0.05 0.18 0.01 0.00 -1.72 0.00 0.00 55.73 54.14 3kpm s ARG 6 Cb -0.12 0.05 -0.03 0.00 -0.45 0.00 0.00 34.95 34.40 3kpm s ARG 6 CO 0.02 -0.03 -0.08 0.71 -0.68 0.00 0.00 175.30 175.24 3kpm s TYR 7 N 0.15 2.90 -0.15 -0.53 2.02 -0.32 -0.44 117.35 120.98 3kpm s TYR 7 Ca -0.01 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 3kpm s TYR 7 Cb -0.02 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3kpm s TYR 7 CO -0.00 0.24 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.01 3kpm s PHE 8 N -0.62 2.17 -0.10 2.71 0.40 -0.03 -1.78 117.98 120.74 3kpm s PHE 8 Ca 0.09 -1.22 -0.02 0.00 -0.60 0.00 0.00 56.93 55.19 3kpm s PHE 8 Cb -0.12 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 3kpm s PHE 8 CO 0.02 -0.66 -0.01 0.71 0.70 0.00 0.00 175.22 175.97 3kpm s TYR 9 N 1.46 3.10 -0.11 0.36 1.51 0.15 -1.62 117.35 122.21 3kpm s TYR 9 Ca 0.04 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 3kpm s TYR 9 Cb -0.13 -1.82 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 3kpm s TYR 9 CO -0.10 0.34 -0.13 0.99 -1.11 0.00 0.00 175.55 175.54 3kpm s THR 10 N -0.60 1.36 -0.16 -0.71 2.01 -0.35 -1.36 115.64 115.83 3kpm s THR 10 Ca 0.10 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3kpm s THR 10 Cb -0.12 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.15 3kpm s THR 10 CO 0.02 0.42 -0.17 0.00 -0.69 0.00 0.00 174.62 174.20 3kpm s ALA 11 N 1.11 2.07 -0.13 7.40 0.00 0.17 -1.14 121.76 131.24 3kpm s ALA 11 Ca -0.05 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 3kpm s ALA 11 Cb -0.14 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.91 3kpm s ALA 11 CO -0.03 -0.34 -0.11 1.41 0.00 0.00 0.00 175.76 176.70 3kpm s MET 12 N 1.35 1.91 0.57 0.00 1.75 -0.20 -0.70 119.30 123.98 3kpm s MET 12 Ca 0.04 -0.43 -0.14 0.00 -1.25 0.00 0.00 55.69 53.92 3kpm s MET 12 Cb -0.13 -1.88 -0.06 0.00 2.84 0.00 0.00 34.83 35.61 3kpm s MET 12 CO -0.11 -0.26 1.01 -1.54 -0.65 0.00 0.00 175.02 173.47 3kpm s SER 13 N 1.59 6.42 -0.48 1.11 1.04 -0.01 -1.03 113.70 122.34 3kpm s SER 13 Ca 0.05 1.49 0.06 0.00 0.48 0.00 0.00 55.95 58.03 3kpm s SER 13 Cb -0.13 -2.49 0.23 0.00 0.10 0.00 0.00 66.02 63.74 3kpm s SER 13 CO -0.09 -0.73 0.81 -2.11 0.98 0.00 0.00 173.24 172.09 3kpm n ARG 14 N -2.19 0.73 -1.62 4.02 1.85 -1.26 -4.00 116.66 114.19 3kpm n ARG 14 Ca 0.06 -1.99 -0.48 0.00 -1.00 0.00 0.00 57.85 54.45 3kpm n ARG 14 Cb 0.54 -1.44 -0.04 0.00 -1.05 0.00 0.00 32.46 30.47 3kpm n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3kpm n PRO 15 N 1.80 1.55 -0.17 2.89 -0.02 -1.26 -0.93 135.00 138.86 3kpm n PRO 15 Ca 0.12 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3kpm n PRO 15 Cb 0.61 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3kpm n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpm n GLY 16 N 2.38 1.44 1.78 -1.23 0.00 -1.26 -4.87 105.19 103.43 3kpm n GLY 16 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 3kpm n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpm n ARG 17 N -2.00 1.98 0.00 1.61 1.74 -0.11 -5.11 116.66 114.77 3kpm n ARG 17 Ca 0.00 -3.39 0.00 0.00 -0.77 0.00 0.00 57.85 53.69 3kpm n ARG 17 Cb 0.00 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 3kpm n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpm n GLY 18 N -0.55 -1.84 3.83 -0.13 0.00 -1.25 -4.93 105.19 100.31 3kpm n GLY 18 Ca 0.22 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3kpm n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpm s GLU 19 N -0.00 3.27 0.33 1.61 0.41 -1.26 -4.57 118.70 118.49 3kpm s GLU 19 Ca 0.00 0.95 -0.29 0.00 -0.41 0.00 0.00 54.97 55.23 3kpm s GLU 19 Cb 0.00 -2.03 -0.12 0.00 -1.78 0.00 0.00 34.13 30.20 3kpm s GLU 19 CO 0.00 -0.84 1.46 -2.30 -0.49 0.00 0.00 175.26 173.09 3kpm n PRO 20 N -2.68 2.49 -2.53 0.39 -0.02 -1.26 -4.80 135.00 126.59 3kpm n PRO 20 Ca 0.07 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 3kpm n PRO 20 Cb 0.54 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 3kpm n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kpm s ARG 21 N -1.49 4.64 -0.13 -0.52 3.52 -0.20 -4.79 118.95 119.98 3kpm s ARG 21 Ca 0.58 1.72 0.01 0.00 -0.13 0.00 0.00 55.73 57.91 3kpm s ARG 21 Cb -0.52 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 29.64 3kpm s ARG 21 CO 0.58 0.18 -0.16 0.12 -0.81 0.00 0.00 175.30 175.21 3kpm s PHE 22 N -0.66 2.20 -0.05 5.12 5.36 -1.26 -1.03 117.98 127.67 3kpm s PHE 22 Ca 0.47 -1.15 0.05 0.00 -0.96 0.00 0.00 56.93 55.34 3kpm s PHE 22 Cb -0.30 -1.58 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 3kpm s PHE 22 CO 0.37 -0.59 -0.20 0.42 -1.46 0.00 0.00 175.22 173.75 3kpm s ILE 23 N 1.16 1.67 -0.07 3.12 1.01 -0.30 -0.62 121.20 127.17 3kpm s ILE 23 Ca -0.02 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3kpm s ILE 23 Cb -0.14 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 3kpm s ILE 23 CO -0.06 0.47 -0.21 -0.89 0.00 0.00 0.00 174.94 174.26 3kpm s THR 24 N -0.03 1.77 0.05 2.92 2.01 0.03 -1.21 115.64 121.19 3kpm s THR 24 Ca -0.04 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.16 3kpm s THR 24 Cb -0.12 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 3kpm s THR 24 CO 0.03 0.50 -0.23 0.68 -0.69 0.00 0.00 174.62 174.91 3kpm s VAL 25 N 0.17 1.82 -0.03 3.82 -7.23 -0.64 -0.75 120.40 117.55 3kpm s VAL 25 Ca -0.10 -1.27 0.07 0.00 -1.81 0.00 0.00 61.98 58.86 3kpm s VAL 25 Cb -0.15 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 3kpm s VAL 25 CO 0.05 0.25 -0.25 -0.83 -0.31 0.00 0.00 175.10 174.01 3kpm s GLY 26 N -1.23 1.30 0.04 2.32 0.00 -0.52 -0.85 107.32 108.37 3kpm s GLY 26 Ca 0.09 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 43.78 3kpm s GLY 26 CO 0.02 -0.84 -0.17 -0.19 0.00 0.00 0.00 173.10 171.92 3kpm s TYR 27 N -0.50 1.52 -0.23 1.90 1.51 0.42 -0.76 117.35 121.21 3kpm s TYR 27 Ca 0.07 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.73 3kpm s TYR 27 Cb -0.11 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.81 3kpm s TYR 27 CO 0.00 0.06 -0.01 0.08 -1.11 0.00 0.00 175.55 174.57 3kpm s VAL 28 N -0.78 3.62 0.00 0.71 1.01 -0.39 -1.18 120.40 123.39 3kpm s VAL 28 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3kpm s VAL 28 Cb -0.08 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3kpm s VAL 28 CO 0.01 0.40 0.00 0.47 0.00 0.00 0.00 175.10 175.99 3kpm n ASP 29 N 4.79 0.00 -1.80 3.32 8.00 -0.01 -0.88 116.55 129.96 3kpm n ASP 29 Ca -0.18 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.40 3kpm n ASP 29 Cb 0.51 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 42.00 3kpm n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kpm n ASP 30 N 5.05 5.55 -4.32 -2.24 8.00 -1.26 -4.89 116.55 122.44 3kpm n ASP 30 Ca 0.00 -2.90 -0.36 0.00 0.71 0.00 0.00 54.79 52.24 3kpm n ASP 30 Cb 0.00 -0.67 -0.13 0.00 -0.02 0.00 0.00 41.12 40.30 3kpm n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpm s THR 31 N -2.69 3.68 0.17 -3.53 2.01 -0.06 -5.02 115.64 110.19 3kpm s THR 31 Ca 0.54 -0.70 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 3kpm s THR 31 Cb 0.41 -2.85 -0.09 0.00 0.01 0.00 0.00 72.50 69.98 3kpm s THR 31 CO 0.16 0.17 1.40 -0.22 -0.69 0.00 0.00 174.62 175.44 3kpm s LEU 32 N 1.47 4.38 0.00 4.42 2.96 -1.26 -1.26 118.68 129.39 3kpm s LEU 32 Ca 0.03 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 3kpm s LEU 32 Cb -0.17 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3kpm s LEU 32 CO 0.00 -0.65 0.00 2.22 -1.32 0.00 0.00 176.35 176.60 3kpm n PHE 33 N 3.34 0.00 -3.88 5.38 -1.74 0.06 -4.17 117.46 116.45 3kpm n PHE 33 Ca 0.10 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.88 3kpm n PHE 33 Cb 0.42 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.32 3kpm n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3kpm s VAL 34 N -1.32 0.10 0.05 1.97 -7.23 -1.20 -0.75 120.40 112.02 3kpm s VAL 34 Ca 0.00 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 3kpm s VAL 34 Cb 0.00 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 3kpm s VAL 34 CO 0.00 -0.47 0.02 0.00 -0.31 0.00 0.00 175.10 174.34 3kpm s ARG 35 N -2.02 0.58 -0.08 4.82 1.70 -0.73 -1.44 118.95 121.77 3kpm s ARG 35 Ca -0.10 -1.00 -0.06 0.00 -0.47 0.00 0.00 55.73 54.10 3kpm s ARG 35 Cb -0.04 0.21 0.03 0.00 -0.57 0.00 0.00 34.95 34.57 3kpm s ARG 35 CO -0.01 -0.12 0.20 0.12 -1.08 0.00 0.00 175.30 174.40 3kpm s PHE 36 N -3.25 -0.23 -0.06 5.89 2.19 0.07 -0.86 117.98 121.73 3kpm s PHE 36 Ca 0.01 0.57 -0.02 0.00 0.33 0.00 0.00 56.93 57.82 3kpm s PHE 36 Cb 0.03 0.05 0.03 0.00 -1.31 0.00 0.00 43.02 41.82 3kpm s PHE 36 CO -0.08 -0.14 0.05 0.34 1.83 0.00 0.00 175.22 177.23 3kpm s ASP 37 N 0.43 1.38 0.58 6.13 -1.08 -1.26 -0.79 116.67 122.08 3kpm s ASP 37 Ca -0.03 -0.04 0.39 0.00 -0.52 0.00 0.00 52.55 52.36 3kpm s ASP 37 Cb -0.04 -0.23 1.99 0.00 -1.46 0.00 0.00 42.92 43.18 3kpm s ASP 37 CO -0.02 -0.25 2.18 0.77 0.52 0.00 0.00 175.17 178.37 3kpm h SER 38 N 8.41 0.00 0.00 -0.34 4.64 -1.26 -1.52 113.55 123.48 3kpm h SER 38 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3kpm h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kpm h SER 38 CO 0.19 0.00 -0.01 0.47 -0.87 0.00 0.00 176.83 176.61 3kpm n ASP 39 N -2.95 1.21 -4.74 4.97 8.00 -1.26 -4.83 116.55 116.95 3kpm n ASP 39 Ca -0.02 -1.38 -0.34 0.00 0.71 0.00 0.00 54.79 53.76 3kpm n ASP 39 Cb 0.13 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.30 3kpm n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpm s ALA 40 N -2.02 2.26 0.18 2.24 0.00 -0.57 -4.93 121.76 118.91 3kpm s ALA 40 Ca 0.39 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 3kpm s ALA 40 Cb 0.21 -3.43 0.16 0.00 0.00 0.00 0.00 23.12 20.07 3kpm s ALA 40 CO 0.35 -1.64 1.69 1.15 0.00 0.00 0.00 175.76 177.31 3kpm h THR 41 N -0.09 0.66 -2.60 0.00 2.02 -1.91 -3.29 112.91 107.70 3kpm h THR 41 Ca -0.48 -0.05 -0.60 0.00 0.77 0.00 0.00 66.41 66.06 3kpm h THR 41 Cb 1.28 0.52 -0.39 0.00 -1.74 0.00 0.00 68.15 67.82 3kpm h THR 41 CO 0.51 0.02 -0.86 -0.44 0.37 0.00 0.00 175.52 175.13 3kpm s SER 42 N -5.26 2.52 0.05 4.18 0.01 -1.26 -5.10 113.70 108.84 3kpm s SER 42 Ca -0.13 -3.05 -0.34 0.00 1.31 0.00 0.00 55.95 53.74 3kpm s SER 42 Cb 0.15 -0.73 -0.13 0.00 0.21 0.00 0.00 66.02 65.52 3kpm s SER 42 CO 0.72 -0.18 1.69 -2.65 0.41 0.00 0.00 173.24 173.23 3kpm n PRO 43 N 2.92 2.12 -3.86 12.44 -0.02 -1.24 -4.98 135.00 142.37 3kpm n PRO 43 Ca 0.23 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.38 3kpm n PRO 43 Cb 0.42 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 3kpm n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kpm s ARG 44 N 2.21 1.29 0.11 -0.52 1.70 -1.26 -5.05 118.95 117.43 3kpm s ARG 44 Ca 0.85 -1.03 -0.31 0.00 -0.47 0.00 0.00 55.73 54.77 3kpm s ARG 44 Cb -0.70 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.05 3kpm s ARG 44 CO 0.44 -0.52 1.61 0.15 -1.08 0.00 0.00 175.30 175.90 3kpm s LYS 45 N -3.93 4.21 -0.04 3.89 -0.14 -1.26 -4.54 119.74 117.94 3kpm s LYS 45 Ca 0.14 2.33 0.06 0.00 -1.36 0.00 0.00 55.97 57.14 3kpm s LYS 45 Cb 0.01 -3.41 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 3kpm s LYS 45 CO -0.01 -0.67 -0.24 -1.21 -0.76 0.00 0.00 175.35 172.46 3kpm s GLU 46 N 1.99 2.25 0.38 1.68 2.02 -0.04 -4.92 118.70 122.06 3kpm s GLU 46 Ca 0.72 -0.86 -0.26 0.00 0.02 0.00 0.00 54.97 54.59 3kpm s GLU 46 Cb -0.41 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.73 3kpm s GLU 46 CO 0.32 0.42 1.21 -1.25 0.02 0.00 0.00 175.26 175.98 3kpm s PRO 47 N -0.30 4.11 0.00 0.39 0.04 -1.26 -1.78 135.00 136.20 3kpm s PRO 47 Ca 0.01 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.01 3kpm s PRO 47 Cb -0.12 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3kpm s PRO 47 CO 0.02 -0.30 0.38 0.54 0.04 0.00 0.00 177.00 177.68 3kpm n ARG 48 N 0.26 -0.09 -4.05 4.56 5.12 0.07 -4.89 116.66 117.64 3kpm n ARG 48 Ca 0.03 -0.44 -0.14 0.00 -1.93 0.00 0.00 57.85 55.38 3kpm n ARG 48 Cb 0.45 -0.78 -0.13 0.00 -1.16 0.00 0.00 32.46 30.84 3kpm n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kpm s ALA 49 N -0.12 0.33 0.43 7.54 0.00 -1.24 -4.72 121.76 123.99 3kpm s ALA 49 Ca 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 51.96 51.76 3kpm s ALA 49 Cb 0.00 -0.02 1.01 0.00 0.00 0.00 0.00 23.12 24.10 3kpm s ALA 49 CO 0.00 0.03 2.00 -1.35 0.00 0.00 0.00 175.76 176.44 3kpm h PRO 50 N 5.58 0.41 0.00 0.00 0.11 -1.95 -2.80 132.00 133.36 3kpm h PRO 50 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3kpm h PRO 50 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kpm h PRO 50 CO 0.47 0.27 0.00 0.11 -0.21 0.00 0.00 178.00 178.64 3kpm h TRP 51 N 0.42 0.00 0.00 0.65 5.08 -1.97 -2.44 115.95 117.69 3kpm h TRP 51 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.21 3kpm h TRP 51 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 3kpm h TRP 51 CO -0.00 0.00 -0.49 0.97 -1.28 0.00 0.00 178.44 177.64 3kpm h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.85 -3.35 117.51 118.52 3kpm h ILE 52 Ca 0.00 -0.55 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3kpm h ILE 52 Cb 0.59 1.23 0.00 0.00 0.47 0.00 0.00 36.82 39.11 3kpm h ILE 52 CO 0.00 0.00 0.00 -0.33 -3.07 0.00 0.00 178.15 174.75 3kpm h GLU 53 N 0.00 0.00 -0.00 2.19 5.08 -1.51 -2.19 114.58 118.14 3kpm h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kpm h GLU 53 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3kpm h GLU 53 CO 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 179.01 177.79 3kpm n GLN 54 N -2.43 0.52 -1.85 2.33 10.64 -1.26 -4.79 117.38 120.54 3kpm n GLN 54 Ca 0.00 -0.23 -0.41 0.00 -1.83 0.00 0.00 57.00 54.53 3kpm n GLN 54 Cb 0.16 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.03 3kpm n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3kpm s GLU 55 N -2.64 4.17 0.95 2.61 0.41 -0.83 -4.98 118.70 118.39 3kpm s GLU 55 Ca 0.22 2.49 -0.13 0.00 -0.41 0.00 0.00 54.97 57.15 3kpm s GLU 55 Cb 0.19 -3.05 0.16 0.00 -1.78 0.00 0.00 34.13 29.65 3kpm s GLU 55 CO 0.54 -0.57 1.12 0.20 -0.49 0.00 0.00 175.26 176.07 3kpm s GLY 56 N 0.48 1.57 0.50 -1.39 0.00 -1.26 -4.88 107.32 102.33 3kpm s GLY 56 Ca 0.62 -0.50 0.27 0.00 0.00 0.00 0.00 44.72 45.11 3kpm s GLY 56 CO 0.46 0.09 1.88 -0.56 0.00 0.00 0.00 173.10 174.97 3kpm h PRO 57 N -1.68 0.13 -0.61 2.90 0.13 -1.97 -1.19 132.00 129.71 3kpm h PRO 57 Ca -0.52 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 3kpm h PRO 57 Cb 1.33 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 3kpm h PRO 57 CO 0.60 0.09 0.11 1.05 -0.23 0.00 0.00 178.00 179.61 3kpm h GLU 58 N 0.14 0.99 -0.17 0.86 9.09 -2.00 -1.75 114.58 121.74 3kpm h GLU 58 Ca 0.44 -0.24 0.03 0.00 0.05 0.00 0.00 59.36 59.63 3kpm h GLU 58 Cb 1.52 -0.13 -0.03 0.00 -1.65 0.00 0.00 28.75 28.47 3kpm h GLU 58 CO -0.07 0.91 0.01 -0.92 0.05 0.00 0.00 179.01 178.99 3kpm h TYR 59 N 0.94 0.02 -0.32 2.06 3.20 -1.56 -1.81 116.97 119.49 3kpm h TYR 59 Ca 0.19 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.93 3kpm h TYR 59 Cb 0.39 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3kpm h TYR 59 CO 0.03 -0.01 -0.39 -1.49 -1.64 0.00 0.00 178.16 174.66 3kpm h TRP 60 N 0.07 0.92 -0.27 -3.82 4.06 -1.45 -0.35 115.95 115.12 3kpm h TRP 60 Ca 0.08 -0.27 -0.01 0.00 2.06 0.00 0.00 58.89 60.75 3kpm h TRP 60 Cb 0.09 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 3kpm h TRP 60 CO -0.15 1.04 0.12 -0.44 -3.56 0.00 0.00 178.44 175.45 3kpm h ASP 61 N 0.63 0.35 -0.25 -3.49 3.32 -1.29 -0.58 116.42 115.12 3kpm h ASP 61 Ca 0.05 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3kpm h ASP 61 Cb 0.95 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3kpm h ASP 61 CO 0.09 0.39 0.11 -0.09 -1.72 0.00 0.00 179.24 178.02 3kpm h ARG 62 N 0.29 0.36 -0.59 3.56 2.43 -1.17 -1.15 114.38 118.11 3kpm h ARG 62 Ca 0.09 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3kpm h ARG 62 Cb 0.13 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3kpm h ARG 62 CO -0.01 0.38 0.08 0.93 -1.51 0.00 0.00 179.97 179.84 3kpm h GLU 63 N 0.26 0.97 -0.55 0.20 4.39 -1.07 -1.85 114.58 116.93 3kpm h GLU 63 Ca 0.08 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 3kpm h GLU 63 Cb 0.14 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3kpm h GLU 63 CO -0.01 0.90 0.22 1.15 -1.16 0.00 0.00 179.01 180.12 3kpm h THR 64 N 0.91 1.22 -0.82 1.13 2.02 -0.97 -2.26 112.91 114.14 3kpm h THR 64 Ca 0.18 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kpm h THR 64 Cb 0.42 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 3kpm h THR 64 CO 0.01 0.26 0.51 -0.61 0.37 0.00 0.00 175.52 176.06 3kpm h GLN 65 N 0.75 1.11 -0.34 6.66 5.75 -0.95 -0.03 115.11 128.05 3kpm h GLN 65 Ca 0.18 -0.09 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 3kpm h GLN 65 Cb 0.19 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3kpm h GLN 65 CO -0.02 0.77 0.15 0.82 -2.65 0.00 0.00 178.83 177.90 3kpm h ILE 66 N 1.13 0.95 -0.60 2.39 2.04 -1.17 -0.68 117.51 121.56 3kpm h ILE 66 Ca 0.30 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 3kpm h ILE 66 Cb -0.07 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3kpm h ILE 66 CO -0.06 0.06 0.04 0.28 0.00 0.00 0.00 178.15 178.47 3kpm h SER 67 N 0.31 0.98 -0.54 1.72 0.02 -0.87 0.90 113.55 116.08 3kpm h SER 67 Ca 0.15 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3kpm h SER 67 Cb 0.09 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3kpm h SER 67 CO -0.13 1.01 0.20 0.11 -1.14 0.00 0.00 176.83 176.89 3kpm h LYS 68 N 0.94 0.81 -0.65 3.45 1.57 -0.75 -0.93 116.57 121.02 3kpm h LYS 68 Ca 0.18 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3kpm h LYS 68 Cb 0.49 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3kpm h LYS 68 CO 0.02 0.72 0.17 1.15 -0.57 0.00 0.00 179.45 180.94 3kpm h THR 69 N 0.73 1.25 -0.65 -0.16 2.02 -0.88 -2.86 112.91 112.36 3kpm h THR 69 Ca 0.18 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3kpm h THR 69 Cb 0.22 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3kpm h THR 69 CO -0.01 0.34 0.37 0.78 0.37 0.00 0.00 175.52 177.37 3kpm h ASN 70 N 0.95 0.78 -0.60 4.18 2.35 -0.58 -1.02 115.58 121.63 3kpm h ASN 70 Ca 0.20 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 3kpm h ASN 70 Cb 0.34 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 3kpm h ASN 70 CO -0.00 0.62 0.28 0.74 -1.65 0.00 0.00 177.43 177.42 3kpm h THR 71 N 0.89 0.88 -0.21 2.81 2.02 -0.94 0.16 112.91 118.52 3kpm h THR 71 Ca 0.23 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 3kpm h THR 71 Cb 0.00 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3kpm h THR 71 CO -0.04 0.09 -0.11 1.56 0.37 0.00 0.00 175.52 177.40 3kpm h GLN 72 N 0.52 0.45 -0.49 6.66 1.08 -1.33 -2.23 115.11 119.77 3kpm h GLN 72 Ca 0.29 -0.20 0.08 0.00 -1.45 0.00 0.00 58.65 57.37 3kpm h GLN 72 Cb 0.26 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 3kpm h GLN 72 CO -0.23 0.74 0.10 1.15 -0.95 0.00 0.00 178.83 179.64 3kpm h THR 73 N 0.15 0.74 0.00 -0.54 2.02 -0.85 -1.04 112.91 113.39 3kpm h THR 73 Ca 0.05 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3kpm h THR 73 Cb 0.61 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3kpm h THR 73 CO 0.03 0.04 -0.22 1.88 0.37 0.00 0.00 175.52 177.63 3kpm h TYR 74 N 0.24 0.00 -0.48 3.16 0.05 -0.98 -0.01 116.97 118.96 3kpm h TYR 74 Ca 0.24 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.96 3kpm h TYR 74 Cb 0.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3kpm h TYR 74 CO -0.22 0.22 0.03 0.00 -1.05 0.00 0.00 178.16 177.14 3kpm h ARG 75 N 0.00 0.82 -0.48 4.88 3.08 -1.06 0.83 114.38 122.45 3kpm h ARG 75 Ca -0.00 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3kpm h ARG 75 Cb 1.12 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3kpm h ARG 75 CO 0.03 0.85 0.29 1.49 -1.07 0.00 0.00 179.97 181.55 3kpm h GLU 76 N 0.68 0.65 -0.85 0.04 4.81 -0.86 -2.36 114.58 116.69 3kpm h GLU 76 Ca 0.14 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3kpm h GLU 76 Cb 0.46 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 3kpm h GLU 76 CO 0.02 0.47 0.53 -0.91 -0.73 0.00 0.00 179.01 178.39 3kpm h ASN 77 N 0.63 0.84 -0.80 1.04 -0.26 -0.75 0.25 115.58 116.54 3kpm h ASN 77 Ca 0.17 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 3kpm h ASN 77 Cb -0.01 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.05 3kpm h ASN 77 CO -0.03 0.54 0.43 -0.07 -1.06 0.00 0.00 177.43 177.24 3kpm h LEU 78 N 0.97 1.01 -0.51 1.61 3.38 -0.53 0.82 115.31 122.06 3kpm h LEU 78 Ca 0.37 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3kpm h LEU 78 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3kpm h LEU 78 CO -0.16 0.83 0.15 0.03 0.09 0.00 0.00 178.44 179.38 3kpm h ARG 79 N 1.12 0.80 -0.38 1.13 3.08 -0.79 -2.10 114.38 117.23 3kpm h ARG 79 Ca 0.28 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3kpm h ARG 79 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3kpm h ARG 79 CO -0.04 0.75 0.08 1.15 -1.07 0.00 0.00 179.97 180.84 3kpm h THR 80 N 0.70 1.23 -1.00 2.04 2.02 -0.71 -2.81 112.91 114.38 3kpm h THR 80 Ca 0.16 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.56 3kpm h THR 80 Cb 0.29 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 3kpm h THR 80 CO -0.00 0.27 0.66 0.00 0.37 0.00 0.00 175.52 176.82 3kpm h ALA 81 N 0.93 1.27 -0.52 6.16 0.00 -0.70 -0.65 119.26 125.75 3kpm h ALA 81 Ca 0.12 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3kpm h ALA 81 Cb 0.32 -0.41 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 3kpm h ALA 81 CO 0.00 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.83 3kpm h LEU 82 N 1.36 -0.26 -0.06 0.00 3.38 -1.21 -1.93 115.31 116.58 3kpm h LEU 82 Ca 0.37 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 3kpm h LEU 82 Cb -0.15 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kpm h LEU 82 CO -0.08 -0.09 0.02 0.03 0.09 0.00 0.00 178.44 178.40 3kpm h ARG 83 N 0.10 0.10 0.00 1.13 3.08 -1.10 0.17 114.38 117.86 3kpm h ARG 83 Ca 0.26 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 3kpm h ARG 83 Cb 0.40 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3kpm h ARG 83 CO -0.45 0.29 -0.08 1.88 -1.07 0.00 0.00 179.97 180.53 3kpm h TYR 84 N -0.10 0.00 -0.36 3.04 -1.99 -0.90 -1.87 116.97 114.79 3kpm h TYR 84 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3kpm h TYR 84 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 3kpm h TYR 84 CO 0.00 0.08 0.00 0.66 -0.00 0.00 0.00 178.16 178.90 3kpm n TYR 85 N -3.61 0.48 -3.64 4.88 4.01 -0.75 -4.76 117.16 113.77 3kpm n TYR 85 Ca -0.02 -0.38 -0.24 0.00 -0.16 0.00 0.00 57.90 57.10 3kpm n TYR 85 Cb 0.20 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.29 3kpm n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kpm n ASN 86 N 0.89 -5.53 -4.95 7.72 3.02 -0.70 -4.97 115.26 110.74 3kpm n ASN 86 Ca 0.14 -0.60 -0.25 0.00 -0.03 0.00 0.00 54.58 53.84 3kpm n ASN 86 Cb 0.46 -4.81 -0.03 0.00 -0.61 0.00 0.00 39.78 34.80 3kpm n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kpm s GLN 87 N -6.27 3.43 0.62 3.52 -0.21 -0.03 -5.04 119.66 115.68 3kpm s GLN 87 Ca 0.53 -0.63 -0.12 0.00 0.02 0.00 0.00 55.36 55.16 3kpm s GLN 87 Cb -0.24 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 3kpm s GLN 87 CO 0.75 0.51 1.03 -1.54 -2.12 0.00 0.00 175.29 173.92 3kpm s SER 88 N -3.35 6.01 0.00 5.90 1.04 -1.26 -4.75 113.70 117.29 3kpm s SER 88 Ca 0.34 1.53 0.26 0.00 0.48 0.00 0.00 55.95 58.56 3kpm s SER 88 Cb -0.11 -2.49 1.48 0.00 0.10 0.00 0.00 66.02 65.01 3kpm s SER 88 CO 0.28 -1.02 1.96 -0.62 0.98 0.00 0.00 173.24 174.83 3kpm n GLU 89 N -2.64 1.10 0.16 4.02 1.02 -1.26 -3.82 120.64 119.23 3kpm n GLU 89 Ca 0.07 -0.15 0.07 0.00 -0.02 0.00 0.00 57.16 57.13 3kpm n GLU 89 Cb 0.54 -1.42 0.07 0.00 -0.02 0.00 0.00 31.44 30.61 3kpm n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kpm h ALA 90 N 3.88 0.79 -2.40 0.62 0.00 -2.00 -3.45 119.26 116.71 3kpm h ALA 90 Ca 0.00 -0.26 -0.51 0.00 0.00 0.00 0.00 54.91 54.14 3kpm h ALA 90 Cb 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kpm h ALA 90 CO 0.00 0.35 -0.19 0.20 0.00 0.00 0.00 179.25 179.60 3kpm s GLY 91 N -4.38 1.70 0.05 0.00 0.00 -1.25 -4.72 107.32 98.72 3kpm s GLY 91 Ca 0.04 -0.71 -0.22 0.00 0.00 0.00 0.00 44.72 43.83 3kpm s GLY 91 CO 0.72 -0.63 0.66 -0.45 0.00 0.00 0.00 173.10 173.41 3kpm s SER 92 N -3.42 7.11 0.09 1.64 0.15 -1.26 -4.60 113.70 113.42 3kpm s SER 92 Ca 0.42 1.32 -0.00 0.00 0.70 0.00 0.00 55.95 58.39 3kpm s SER 92 Cb -0.10 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3kpm s SER 92 CO 0.32 0.12 -0.02 -1.00 1.20 0.00 0.00 173.24 173.86 3kpm s HIS 93 N -0.44 0.76 -0.03 3.44 3.76 -1.26 -4.97 115.29 116.55 3kpm s HIS 93 Ca 0.33 -1.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.20 3kpm s HIS 93 Cb -0.20 -0.47 0.01 0.00 1.11 0.00 0.00 32.58 33.04 3kpm s HIS 93 CO 0.20 -0.34 -0.06 0.42 -0.85 0.00 0.00 174.74 174.12 3kpm s ILE 94 N -3.85 0.57 -0.09 0.60 1.01 -1.26 -0.83 121.20 117.35 3kpm s ILE 94 Ca 0.14 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.61 3kpm s ILE 94 Cb 0.07 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 3kpm s ILE 94 CO -0.05 0.21 -0.10 -0.63 0.00 0.00 0.00 174.94 174.38 3kpm s ILE 95 N 0.60 3.40 0.10 2.92 1.01 0.13 -0.31 121.20 129.04 3kpm s ILE 95 Ca -0.08 -0.57 0.10 0.00 0.00 0.00 0.00 60.65 60.09 3kpm s ILE 95 Cb -0.12 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3kpm s ILE 95 CO 0.00 0.56 -0.25 -1.10 0.00 0.00 0.00 174.94 174.16 3kpm s GLN 96 N -0.33 1.40 0.02 2.79 -0.21 -0.59 -0.65 119.66 122.08 3kpm s GLN 96 Ca 0.04 -1.23 0.03 0.00 0.02 0.00 0.00 55.36 54.23 3kpm s GLN 96 Cb -0.13 -1.75 -0.02 0.00 1.00 0.00 0.00 33.01 32.12 3kpm s GLN 96 CO 0.02 0.42 -0.11 0.50 -2.12 0.00 0.00 175.29 174.01 3kpm s ARG 97 N -1.81 0.76 -0.04 2.91 3.52 -0.47 -0.69 118.95 123.14 3kpm s ARG 97 Ca 0.11 -0.57 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3kpm s ARG 97 Cb -0.10 -0.71 0.03 0.00 -1.56 0.00 0.00 34.95 32.61 3kpm s ARG 97 CO 0.05 0.18 0.06 0.00 -0.81 0.00 0.00 175.30 174.78 3kpm s MET 98 N -0.83 -0.04 0.06 5.12 0.23 -0.20 -0.67 119.30 122.97 3kpm s MET 98 Ca 0.00 0.30 -0.02 0.00 -1.03 0.00 0.00 55.69 54.95 3kpm s MET 98 Cb -0.06 -0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 32.86 3kpm s MET 98 CO 0.00 -0.24 -0.00 1.52 -2.03 0.00 0.00 175.02 174.27 3kpm s TYR 99 N 1.57 0.52 -5.00 3.16 1.13 -0.73 -1.80 117.35 116.21 3kpm s TYR 99 Ca -0.03 -1.05 0.00 0.00 -1.41 0.00 0.00 57.07 54.58 3kpm s TYR 99 Cb -0.12 -0.37 0.00 0.00 -1.10 0.00 0.00 41.96 40.36 3kpm s TYR 99 CO -0.03 -0.41 0.00 0.41 -2.51 0.00 0.00 175.55 173.01 3kpm n GLY 100 N 0.08 0.29 3.02 5.49 0.00 -0.66 -1.18 105.19 112.22 3kpm n GLY 100 Ca -0.13 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 3kpm n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpm s ASP 102 N -1.16 5.06 0.13 0.00 1.01 -0.04 -0.88 116.67 120.78 3kpm s ASP 102 Ca -0.13 0.05 0.06 0.00 0.71 0.00 0.00 52.55 53.24 3kpm s ASP 102 Cb -0.07 -1.35 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 3kpm s ASP 102 CO 0.00 0.34 -0.14 0.68 0.21 0.00 0.00 175.17 176.27 3kpm s VAL 103 N -0.94 1.36 0.76 -1.27 -7.23 0.44 -0.42 120.40 113.10 3kpm s VAL 103 Ca 0.15 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 3kpm s VAL 103 Cb -0.11 -1.63 0.16 0.00 0.56 0.00 0.00 36.38 35.36 3kpm s VAL 103 CO 0.05 -0.48 1.04 0.61 -0.31 0.00 0.00 175.10 176.01 3kpm n GLY 104 N 0.34 -0.17 0.40 2.32 0.00 -0.95 -1.19 105.19 105.93 3kpm n GLY 104 Ca -0.14 -1.90 0.19 0.00 0.00 0.00 0.00 46.02 44.16 3kpm n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kpm h PRO 105 N 0.00 0.31 -0.00 1.61 0.11 -1.89 0.26 132.00 132.39 3kpm h PRO 105 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3kpm h PRO 105 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kpm h PRO 105 CO 0.31 0.20 -0.06 -0.40 -0.21 0.00 0.00 178.00 177.85 3kpm n ASP 106 N -4.45 0.35 0.00 -2.05 5.75 -1.26 -4.81 116.55 110.07 3kpm n ASP 106 Ca 0.16 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 3kpm n ASP 106 Cb 0.64 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3kpm n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kpm n GLY 107 N 1.22 0.78 3.81 6.12 0.00 0.08 -5.04 105.19 112.16 3kpm n GLY 107 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3kpm n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpm s ARG 108 N -0.36 4.29 0.00 1.61 0.52 -1.26 -4.74 118.95 119.02 3kpm s ARG 108 Ca 0.00 1.06 -0.35 0.00 -0.52 0.00 0.00 55.73 55.92 3kpm s ARG 108 Cb 0.00 -2.50 -0.13 0.00 0.52 0.00 0.00 34.95 32.84 3kpm s ARG 108 CO 0.00 0.15 1.72 -0.11 0.02 0.00 0.00 175.30 177.08 3kpm n LEU 109 N -0.06 3.12 -0.10 2.53 7.94 -1.26 -2.24 117.00 126.93 3kpm n LEU 109 Ca 0.04 1.03 -0.22 0.00 -1.11 0.00 0.00 56.01 55.75 3kpm n LEU 109 Cb 0.52 -1.36 -0.12 0.00 0.53 0.00 0.00 43.42 42.99 3kpm n LEU 109 CO 0.41 -0.24 -0.57 0.18 -1.11 0.00 0.00 177.39 176.07 3kpm n LEU 110 N 5.09 1.91 -3.52 -1.96 4.32 0.44 -4.88 117.00 118.40 3kpm n LEU 110 Ca 0.21 0.41 -0.09 0.00 -0.02 0.00 0.00 56.01 56.51 3kpm n LEU 110 Cb 0.27 -0.97 -0.03 0.00 -1.62 0.00 0.00 43.42 41.07 3kpm n LEU 110 CO 0.69 0.32 0.71 0.00 -1.22 0.00 0.00 177.39 177.89 3kpm s ARG 111 N -2.38 0.78 0.23 3.23 1.70 -1.16 -5.00 118.95 116.34 3kpm s ARG 111 Ca -0.29 -0.22 0.09 0.00 -0.47 0.00 0.00 55.73 54.85 3kpm s ARG 111 Cb 0.06 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 3kpm s ARG 111 CO 0.60 -0.33 -0.06 0.20 -1.08 0.00 0.00 175.30 174.63 3kpm s GLY 112 N -2.24 1.71 0.01 3.88 0.00 -1.26 -0.86 107.32 108.55 3kpm s GLY 112 Ca 0.04 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.17 3kpm s GLY 112 CO -0.07 -1.65 -0.05 -0.19 0.00 0.00 0.00 173.10 171.14 3kpm s TYR 113 N -2.09 0.43 -0.28 1.90 1.51 0.06 -4.80 117.35 114.08 3kpm s TYR 113 Ca 0.29 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.16 3kpm s TYR 113 Cb -0.07 -0.27 0.17 0.00 -0.11 0.00 0.00 41.96 41.67 3kpm s TYR 113 CO 0.17 -0.04 0.45 0.34 -1.11 0.00 0.00 175.55 175.37 3kpm s ASP 114 N -0.54 -0.18 -0.01 2.29 -1.08 -1.26 -1.66 116.67 114.23 3kpm s ASP 114 Ca -0.02 -0.06 0.05 0.00 -0.52 0.00 0.00 52.55 52.00 3kpm s ASP 114 Cb -0.04 1.38 -0.01 0.00 -1.46 0.00 0.00 42.92 42.78 3kpm s ASP 114 CO -0.00 -0.33 -0.17 -1.10 0.52 0.00 0.00 175.17 174.09 3kpm s GLN 115 N 2.63 1.38 0.14 4.34 -0.21 -0.74 -0.51 119.66 126.69 3kpm s GLN 115 Ca 0.11 -0.63 0.10 0.00 0.02 0.00 0.00 55.36 54.96 3kpm s GLN 115 Cb -0.13 -1.34 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 3kpm s GLN 115 CO -0.26 0.37 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.54 3kpm s ASP 116 N -0.46 2.98 0.08 5.90 1.01 0.28 -1.04 116.67 125.43 3kpm s ASP 116 Ca 0.07 -0.78 0.03 0.00 0.71 0.00 0.00 52.55 52.57 3kpm s ASP 116 Cb -0.07 -0.19 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 3kpm s ASP 116 CO -0.00 0.09 -0.09 0.00 0.21 0.00 0.00 175.17 175.37 3kpm s ALA 117 N -1.44 0.94 -0.11 5.23 0.00 0.13 -1.35 121.76 125.17 3kpm s ALA 117 Ca 0.14 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3kpm s ALA 117 Cb -0.09 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3kpm s ALA 117 CO 0.07 -0.04 -0.12 -0.47 0.00 0.00 0.00 175.76 175.20 3kpm s TYR 118 N -2.17 1.74 -1.59 0.00 5.04 0.26 -1.54 117.35 119.09 3kpm s TYR 118 Ca 0.01 -0.83 -0.15 0.00 -2.44 0.00 0.00 57.07 53.66 3kpm s TYR 118 Cb -0.05 -1.31 0.11 0.00 0.35 0.00 0.00 41.96 41.06 3kpm s TYR 118 CO -0.00 -0.48 0.87 -0.25 -1.34 0.00 0.00 175.55 174.35 3kpm n ASP 119 N 4.45 -3.88 0.00 4.32 8.00 0.58 -1.75 116.55 128.27 3kpm n ASP 119 Ca -0.17 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3kpm n ASP 119 Cb 0.51 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 3kpm n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpm n GLY 120 N -1.58 0.87 3.61 0.44 0.00 -1.26 -5.02 105.19 102.25 3kpm n GLY 120 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3kpm n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpm s LYS 121 N -0.03 2.53 0.23 1.61 1.02 -0.72 -5.08 119.74 119.30 3kpm s LYS 121 Ca 0.00 -0.75 -0.31 0.00 0.02 0.00 0.00 55.97 54.93 3kpm s LYS 121 Cb 0.00 -2.50 -0.14 0.00 -0.52 0.00 0.00 37.83 34.66 3kpm s LYS 121 CO 0.00 0.59 1.17 -0.25 -0.92 0.00 0.00 175.35 175.94 3kpm n ASP 122 N 1.36 1.71 0.00 2.83 9.92 -1.26 -0.57 116.55 130.53 3kpm n ASP 122 Ca -0.15 1.16 -0.00 0.00 -0.53 0.00 0.00 54.79 55.27 3kpm n ASP 122 Cb 0.52 -1.30 -0.00 0.00 -0.64 0.00 0.00 41.12 39.71 3kpm n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kpm n TYR 123 N 1.13 0.00 -3.89 1.24 9.36 -0.46 -4.66 117.16 119.89 3kpm n TYR 123 Ca 0.12 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.23 3kpm n TYR 123 Cb 0.29 -0.01 -0.10 0.00 -0.63 0.00 0.00 39.34 38.89 3kpm n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kpm s ILE 124 N -1.07 0.09 -0.06 2.97 2.07 -1.12 -0.81 121.20 123.26 3kpm s ILE 124 Ca -0.00 -0.71 -0.06 0.00 -1.41 0.00 0.00 60.65 58.46 3kpm s ILE 124 Cb 0.00 -0.40 0.02 0.00 0.13 0.00 0.00 42.46 42.21 3kpm s ILE 124 CO 0.01 -0.39 0.18 0.00 -1.91 0.00 0.00 174.94 172.83 3kpm s ALA 125 N -1.36 -0.44 0.09 1.50 0.00 -0.44 -0.55 121.76 120.56 3kpm s ALA 125 Ca -0.15 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.97 3kpm s ALA 125 Cb -0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 3kpm s ALA 125 CO 0.01 -0.09 1.32 -1.17 0.00 0.00 0.00 175.76 175.83 3kpm s LEU 126 N -0.01 4.37 0.75 0.00 2.96 0.34 -0.99 118.68 126.09 3kpm s LEU 126 Ca -0.01 2.21 -0.11 0.00 -0.22 0.00 0.00 54.13 56.01 3kpm s LEU 126 Cb -0.02 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.13 3kpm s LEU 126 CO 0.00 -0.59 1.08 0.20 -1.32 0.00 0.00 176.35 175.72 3kpm s ASN 127 N 1.10 4.80 0.57 3.68 0.01 0.08 -4.57 114.94 120.61 3kpm s ASN 127 Ca 0.63 1.68 0.26 0.00 -0.71 0.00 0.00 52.86 54.72 3kpm s ASN 127 Cb -0.34 -2.46 1.62 0.00 0.41 0.00 0.00 41.25 40.48 3kpm s ASN 127 CO 0.30 -1.82 2.15 -0.08 -1.51 0.00 0.00 177.10 176.13 3kpm h GLU 128 N -0.98 0.00 0.00 -0.60 4.81 -1.89 0.13 114.58 116.05 3kpm h GLU 128 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kpm h GLU 128 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3kpm h GLU 128 CO 0.54 0.00 0.00 0.38 -0.73 0.00 0.00 179.01 179.20 3kpm h ASP 129 N 0.00 0.00 -3.13 1.04 3.04 -1.92 -3.45 116.42 112.00 3kpm h ASP 129 Ca 0.06 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.45 3kpm h ASP 129 Cb 0.28 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.56 3kpm h ASP 129 CO -0.00 0.00 -0.51 0.18 -2.04 0.00 0.00 179.24 176.87 3kpm n LEU 130 N -2.31 -1.87 0.00 0.15 4.77 0.46 -4.81 117.00 113.40 3kpm n LEU 130 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3kpm n LEU 130 Cb 0.14 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.38 3kpm n LEU 130 CO 0.16 -0.20 -0.13 -1.20 -1.33 0.00 0.00 177.39 174.69 3kpm n SER 131 N -2.00 1.27 -4.22 -1.43 7.64 -1.26 -4.48 113.62 109.14 3kpm n SER 131 Ca -0.23 -0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.50 3kpm n SER 131 Cb 0.68 0.27 -0.10 0.00 -1.01 0.00 0.00 64.21 64.04 3kpm n SER 131 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kpm s SER 132 N -0.52 0.53 0.15 6.43 1.04 -1.26 -4.82 113.70 115.24 3kpm s SER 132 Ca 0.00 -1.40 0.10 0.00 0.48 0.00 0.00 55.95 55.14 3kpm s SER 132 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 3kpm s SER 132 CO 0.00 -0.81 -0.24 0.26 0.98 0.00 0.00 173.24 173.43 3kpm s TRP 133 N -4.01 2.13 -0.23 5.02 0.52 -1.26 -0.74 118.94 120.36 3kpm s TRP 133 Ca 0.39 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 56.10 3kpm s TRP 133 Cb 0.07 -1.11 0.02 0.00 -1.15 0.00 0.00 33.47 31.30 3kpm s TRP 133 CO 0.13 0.36 -0.08 0.99 0.02 0.00 0.00 176.95 178.36 3kpm s THR 134 N -1.40 2.84 -0.16 2.01 2.01 -0.16 -4.87 115.64 115.90 3kpm s THR 134 Ca 0.15 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 3kpm s THR 134 Cb -0.09 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3kpm s THR 134 CO 0.07 0.32 0.11 0.00 -0.69 0.00 0.00 174.62 174.43 3kpm s ALA 135 N 1.36 3.67 -0.22 7.40 0.00 -1.26 -1.33 121.76 131.38 3kpm s ALA 135 Ca 0.02 -0.69 0.25 0.00 0.00 0.00 0.00 51.96 51.54 3kpm s ALA 135 Cb -0.15 -2.01 0.63 0.00 0.00 0.00 0.00 23.12 21.59 3kpm s ALA 135 CO -0.06 0.34 1.71 0.00 0.00 0.00 0.00 175.76 177.76 3kpm h ALA 136 N 6.02 0.97 -2.81 0.00 0.00 -1.24 -3.47 119.26 118.73 3kpm h ALA 136 Ca -0.45 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.44 3kpm h ALA 136 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kpm h ALA 136 CO 0.68 0.09 0.40 0.16 0.00 0.00 0.00 179.25 180.58 3kpm s ASP 137 N -6.10 0.01 0.47 0.00 1.47 -1.26 -5.03 116.67 106.22 3kpm s ASP 137 Ca 0.05 -0.96 0.22 0.00 1.18 0.00 0.00 52.55 53.04 3kpm s ASP 137 Cb 0.07 0.71 1.16 0.00 -0.34 0.00 0.00 42.92 44.51 3kpm s ASP 137 CO 0.64 -1.41 1.97 0.71 0.68 0.00 0.00 175.17 177.77 3kpm h THR 138 N 2.00 0.80 0.11 2.11 1.35 -1.99 -1.32 112.91 115.97 3kpm h THR 138 Ca -0.30 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 3kpm h THR 138 Cb 1.24 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3kpm h THR 138 CO 0.39 0.20 -0.05 0.00 -0.25 0.00 0.00 175.52 175.80 3kpm h ALA 139 N 1.80 -0.15 0.00 6.62 0.00 -1.97 -3.09 119.26 122.48 3kpm h ALA 139 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kpm h ALA 139 Cb 0.46 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kpm h ALA 139 CO 0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 179.25 178.78 3kpm h ALA 140 N 0.33 1.42 -0.05 0.00 0.00 -1.76 -1.41 119.26 117.79 3kpm h ALA 140 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kpm h ALA 140 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kpm h ALA 140 CO 0.02 0.11 -0.13 1.96 0.00 0.00 0.00 179.25 181.22 3kpm h GLN 141 N 0.00 0.08 -0.32 0.00 4.20 -1.17 0.15 115.11 118.04 3kpm h GLN 141 Ca -0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3kpm h GLN 141 Cb 0.23 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3kpm h GLN 141 CO 0.01 0.21 0.08 0.82 -0.67 0.00 0.00 178.83 179.28 3kpm h ILE 142 N 0.08 1.22 -0.50 2.54 1.08 -1.21 -1.52 117.51 119.20 3kpm h ILE 142 Ca 0.02 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3kpm h ILE 142 Cb 0.28 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3kpm h ILE 142 CO 0.02 0.25 0.30 0.74 -0.69 0.00 0.00 178.15 178.77 3kpm h THR 143 N 0.36 1.15 -0.64 -0.27 2.02 -1.39 -2.39 112.91 111.76 3kpm h THR 143 Ca 0.10 -0.35 0.08 0.00 0.77 0.00 0.00 66.41 67.01 3kpm h THR 143 Cb 0.30 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 3kpm h THR 143 CO 0.00 0.16 0.30 -0.61 0.37 0.00 0.00 175.52 175.74 3kpm h GLN 144 N 0.67 0.51 -0.49 6.66 4.15 -0.53 0.05 115.11 126.14 3kpm h GLN 144 Ca 0.18 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.48 3kpm h GLN 144 Cb -0.01 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3kpm h GLN 144 CO -0.03 0.34 -0.08 0.00 -1.93 0.00 0.00 178.83 177.13 3kpm h ARG 145 N 0.53 0.87 -0.72 1.69 3.08 -1.08 0.89 114.38 119.64 3kpm h ARG 145 Ca 0.31 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3kpm h ARG 145 Cb 0.32 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3kpm h ARG 145 CO -0.25 0.91 0.37 -0.22 -1.07 0.00 0.00 179.97 179.72 3kpm h LYS 146 N 0.79 1.02 0.00 0.04 3.64 -0.89 -0.84 116.57 120.32 3kpm h LYS 146 Ca 0.14 -0.13 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 3kpm h LYS 146 Cb 0.58 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3kpm h LYS 146 CO 0.04 0.77 -0.84 -1.49 -2.27 0.00 0.00 179.45 175.66 3kpm h TRP 147 N 1.00 0.00 -0.35 1.91 4.06 -0.63 -2.10 115.95 119.84 3kpm h TRP 147 Ca 0.25 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.14 3kpm h TRP 147 Cb 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3kpm h TRP 147 CO 0.00 0.84 -0.02 0.93 -3.56 0.00 0.00 178.44 176.63 3kpm h GLU 148 N 0.00 0.64 -0.58 0.49 5.08 -0.71 -1.19 114.58 118.31 3kpm h GLU 148 Ca -0.01 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3kpm h GLU 148 Cb 1.50 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 3kpm h GLU 148 CO 0.11 0.77 0.22 0.00 -1.00 0.00 0.00 179.01 179.11 3kpm h ALA 149 N 0.85 1.31 -0.01 3.43 0.00 -1.03 -2.63 119.26 121.17 3kpm h ALA 149 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kpm h ALA 149 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kpm h ALA 149 CO 0.02 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 3kpm n ALA 150 N -2.45 2.61 -3.77 0.00 0.00 -0.80 -4.95 120.51 111.15 3kpm n ALA 150 Ca 0.05 -0.42 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 3kpm n ALA 150 Cb 0.17 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.46 3kpm n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kpm n ARG 151 N 0.04 -5.47 -0.14 0.00 1.74 -0.77 -4.90 116.66 107.15 3kpm n ARG 151 Ca 0.19 0.64 -0.06 0.00 -0.77 0.00 0.00 57.85 57.85 3kpm n ARG 151 Cb 0.34 -5.39 0.11 0.00 -1.02 0.00 0.00 32.46 26.50 3kpm n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kpm h VAL 152 N -2.03 1.25 -0.86 1.55 2.07 -1.53 -3.14 116.25 113.57 3kpm h VAL 152 Ca -0.59 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 65.88 3kpm h VAL 152 Cb 1.37 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 3kpm h VAL 152 CO 0.60 0.38 0.55 0.00 0.02 0.00 0.00 177.57 179.13 3kpm h ALA 153 N 1.16 1.13 0.00 1.67 0.00 -1.88 -0.48 119.26 120.86 3kpm h ALA 153 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kpm h ALA 153 Cb 0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kpm h ALA 153 CO 0.03 0.39 -0.31 1.05 0.00 0.00 0.00 179.25 180.41 3kpm h GLU 154 N 1.07 0.00 -0.01 0.00 4.11 -1.77 -0.99 114.58 117.00 3kpm h GLU 154 Ca 0.34 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.65 3kpm h GLU 154 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 3kpm h GLU 154 CO -0.12 0.31 -0.48 1.96 0.07 0.00 0.00 179.01 180.75 3kpm h GLN 155 N 0.00 0.34 -0.34 1.06 4.20 -1.40 -2.13 115.11 116.84 3kpm h GLN 155 Ca -0.00 -0.35 0.07 0.00 0.06 0.00 0.00 58.65 58.43 3kpm h GLN 155 Cb 0.68 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.48 3kpm h GLN 155 CO 0.04 1.04 -0.31 -0.44 -0.67 0.00 0.00 178.83 178.49 3kpm h ASP 156 N -0.21 -1.01 -0.69 1.46 5.19 -0.97 -2.60 116.42 117.58 3kpm h ASP 156 Ca -0.06 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 3kpm h ASP 156 Cb 1.19 0.47 -0.03 0.00 0.18 0.00 0.00 39.33 41.14 3kpm h ASP 156 CO 0.09 -0.32 0.38 0.08 -3.12 0.00 0.00 179.24 176.36 3kpm h ARG 157 N -0.27 0.96 -0.95 3.56 0.11 -1.22 0.68 114.38 117.26 3kpm h ARG 157 Ca 0.16 -0.11 0.11 0.00 0.10 0.00 0.00 59.98 60.24 3kpm h ARG 157 Cb 0.53 -0.19 -0.08 0.00 1.11 0.00 0.00 29.97 31.34 3kpm h ARG 157 CO -0.49 0.72 0.58 0.00 0.10 0.00 0.00 179.97 180.88 3kpm h ALA 158 N 1.19 1.40 -0.02 0.08 0.00 -1.23 0.31 119.26 120.99 3kpm h ALA 158 Ca 0.24 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kpm h ALA 158 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kpm h ALA 158 CO -0.04 0.19 0.00 -0.92 0.00 0.00 0.00 179.25 178.49 3kpm h TYR 159 N 0.94 0.03 -0.30 0.00 3.20 -0.86 -2.07 116.97 117.91 3kpm h TYR 159 Ca 0.46 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.28 3kpm h TYR 159 Cb 0.44 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3kpm h TYR 159 CO -0.02 0.29 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.68 3kpm h LEU 160 N -0.24 0.45 0.00 2.82 3.38 -0.20 -0.33 115.31 121.20 3kpm h LEU 160 Ca 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kpm h LEU 160 Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kpm h LEU 160 CO 0.00 0.55 -0.52 -0.33 0.09 0.00 0.00 178.44 178.22 3kpm h GLU 161 N 0.46 0.00 0.00 1.13 5.08 -1.02 -3.34 114.58 116.89 3kpm h GLU 161 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kpm h GLU 161 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kpm h GLU 161 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3kpm n GLY 162 N 1.18 0.52 0.37 -3.84 0.00 -0.78 -4.71 105.19 97.93 3kpm n GLY 162 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 3kpm n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpm h LEU 163 N 0.00 0.66 0.08 0.99 5.85 -1.67 -1.54 115.31 119.67 3kpm h LEU 163 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3kpm h LEU 163 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3kpm h LEU 163 CO 0.00 0.26 -0.04 0.00 -0.34 0.00 0.00 178.44 178.33 3kpm h VAL 165 N -0.11 1.14 -0.53 0.00 2.07 -1.53 -2.08 116.25 115.21 3kpm h VAL 165 Ca -0.01 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.72 3kpm h VAL 165 Cb 0.08 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3kpm h VAL 165 CO 0.02 0.20 0.30 -0.08 0.02 0.00 0.00 177.57 178.03 3kpm h GLU 166 N -0.48 0.56 0.77 1.57 4.81 -1.32 0.90 114.58 121.39 3kpm h GLU 166 Ca -0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3kpm h GLU 166 Cb 0.41 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.67 3kpm h GLU 166 CO 0.02 0.37 -0.37 0.77 -0.73 0.00 0.00 179.01 179.07 3kpm h SER 167 N 0.58 -0.88 -0.87 1.04 0.02 -1.34 -1.52 113.55 110.59 3kpm h SER 167 Ca 0.23 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 61.42 3kpm h SER 167 Cb 0.08 0.23 -0.13 0.00 0.14 0.00 0.00 62.40 62.72 3kpm h SER 167 CO -0.13 -0.59 0.30 0.25 -1.14 0.00 0.00 176.83 175.52 3kpm h LEU 168 N -1.09 0.13 -0.38 5.07 5.85 -1.10 0.33 115.31 124.12 3kpm h LEU 168 Ca -0.11 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3kpm h LEU 168 Cb 0.80 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3kpm h LEU 168 CO 0.17 -0.09 0.02 0.03 -0.34 0.00 0.00 178.44 178.24 3kpm h ARG 169 N 0.28 0.13 -0.25 1.25 3.08 -0.56 -0.18 114.38 118.12 3kpm h ARG 169 Ca 0.55 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.60 3kpm h ARG 169 Cb 1.08 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 3kpm h ARG 169 CO -0.60 0.08 0.13 0.00 -1.07 0.00 0.00 179.97 178.52 3kpm h ARG 170 N 0.13 0.27 -0.74 0.04 3.08 0.60 -2.26 114.38 115.51 3kpm h ARG 170 Ca 0.19 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 3kpm h ARG 170 Cb 0.25 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3kpm h ARG 170 CO -0.29 0.18 0.36 1.88 -1.07 0.00 0.00 179.97 181.02 3kpm h TYR 171 N 0.28 1.06 -0.56 3.04 0.05 -0.59 -0.35 116.97 119.90 3kpm h TYR 171 Ca 0.10 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 3kpm h TYR 171 Cb 0.02 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.40 3kpm h TYR 171 CO -0.09 0.78 0.17 -0.07 -1.05 0.00 0.00 178.16 177.90 3kpm h LEU 172 N 1.03 0.78 -0.03 3.88 3.38 -0.85 0.23 115.31 123.74 3kpm h LEU 172 Ca 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3kpm h LEU 172 Cb 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3kpm h LEU 172 CO -0.03 0.75 -0.05 -0.08 0.09 0.00 0.00 178.44 179.11 3kpm h GLU 173 N 0.82 0.09 -0.41 1.13 4.57 -0.99 -1.57 114.58 118.21 3kpm h GLU 173 Ca 0.19 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3kpm h GLU 173 Cb 0.25 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3kpm h GLU 173 CO -0.01 0.62 0.13 -0.91 -1.18 0.00 0.00 179.01 177.66 3kpm h ASN 174 N -0.44 0.54 -0.64 1.04 2.35 -0.91 -2.55 115.58 114.98 3kpm h ASN 174 Ca 0.00 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.49 3kpm h ASN 174 Cb 0.61 -0.14 -0.11 0.00 0.05 0.00 0.00 38.32 38.73 3kpm h ASN 174 CO 0.01 0.52 0.21 0.61 -1.65 0.00 0.00 177.43 177.13 3kpm n GLY 175 N -1.10 3.86 0.35 2.83 0.00 0.80 -4.74 105.19 107.19 3kpm n GLY 175 Ca 0.03 -1.03 0.16 0.00 0.00 0.00 0.00 46.02 45.18 3kpm n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kpm h LYS 176 N 2.37 0.04 0.00 1.61 2.10 -0.83 0.14 116.57 121.99 3kpm h LYS 176 Ca 0.23 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 3kpm h LYS 176 Cb 2.17 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.49 3kpm h LYS 176 CO 0.65 0.03 0.00 0.93 -2.00 0.00 0.00 179.45 179.05 3kpm h GLU 177 N 0.04 0.00 0.00 0.07 5.08 -1.86 -3.04 114.58 114.87 3kpm h GLU 177 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3kpm h GLU 177 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3kpm h GLU 177 CO -0.01 0.00 -0.90 0.25 -1.00 0.00 0.00 179.01 177.35 3kpm n THR 178 N -3.06 0.13 0.14 1.13 -2.24 -0.52 -4.55 114.28 105.31 3kpm n THR 178 Ca 0.00 0.04 0.05 0.00 -2.27 0.00 0.00 64.05 61.87 3kpm n THR 178 Cb 0.28 -1.51 0.50 0.00 -2.10 0.00 0.00 70.33 67.50 3kpm n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kpm h LEU 179 N -0.00 0.20 -3.48 3.22 3.38 -0.94 -2.49 115.31 115.19 3kpm h LEU 179 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3kpm h LEU 179 Cb 0.90 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3kpm h LEU 179 CO -0.00 0.22 0.08 0.00 0.09 0.00 0.00 178.44 178.83 3kpm n GLN 180 N -4.43 3.30 -4.02 1.13 6.02 -1.15 -4.87 117.38 113.37 3kpm n GLN 180 Ca -0.01 -3.02 -0.34 0.00 -0.01 0.00 0.00 57.00 53.62 3kpm n GLN 180 Cb 0.14 -2.03 -0.15 0.00 1.02 0.00 0.00 30.24 29.23 3kpm n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kpm s ARG 181 N -2.94 3.04 -0.13 -1.09 3.52 -0.94 -4.98 118.95 115.43 3kpm s ARG 181 Ca 0.49 -0.82 -0.18 0.00 -0.13 0.00 0.00 55.73 55.08 3kpm s ARG 181 Cb 0.40 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 3kpm s ARG 181 CO 0.10 -0.26 0.47 0.00 -0.81 0.00 0.00 175.30 174.80 3kpm s ALA 182 N 1.35 3.49 -0.31 6.12 0.00 -1.26 -4.79 121.76 126.35 3kpm s ALA 182 Ca 0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 3kpm s ALA 182 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3kpm s ALA 182 CO -0.08 -0.03 0.20 -0.51 0.00 0.00 0.00 175.76 175.34 3kpm s ASP 183 N 0.67 5.93 0.68 0.00 1.01 0.32 -4.82 116.67 120.45 3kpm s ASP 183 Ca 0.25 -0.29 -0.11 0.00 0.71 0.00 0.00 52.55 53.11 3kpm s ASP 183 Cb -0.15 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 3kpm s ASP 183 CO 0.10 -0.16 1.06 -2.16 0.21 0.00 0.00 175.17 174.22 3kpm s PRO 184 N 1.71 3.03 0.37 8.23 0.04 -1.26 -1.36 135.00 145.77 3kpm s PRO 184 Ca 0.06 0.95 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 3kpm s PRO 184 Cb -0.17 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3kpm s PRO 184 CO 0.10 -1.02 1.22 -1.25 0.04 0.00 0.00 177.00 176.09 3kpm s PRO 185 N -5.01 4.16 -0.23 0.56 0.04 -1.26 -4.34 135.00 128.92 3kpm s PRO 185 Ca 0.58 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 63.42 3kpm s PRO 185 Cb -0.14 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 3kpm s PRO 185 CO 0.54 -0.27 0.57 0.15 0.04 0.00 0.00 177.00 178.03 3kpm s LYS 186 N -2.08 4.14 0.05 4.56 1.02 0.68 -4.87 119.74 123.25 3kpm s LYS 186 Ca 0.54 0.47 0.09 0.00 0.02 0.00 0.00 55.97 57.09 3kpm s LYS 186 Cb -0.35 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.32 3kpm s LYS 186 CO 0.44 -0.29 -0.26 0.95 -0.92 0.00 0.00 175.35 175.27 3kpm s THR 187 N 2.11 2.18 0.09 2.17 -4.23 -1.26 -1.01 115.64 115.69 3kpm s THR 187 Ca 0.25 -1.42 -0.25 0.00 -1.18 0.00 0.00 61.69 59.08 3kpm s THR 187 Cb -0.16 -1.86 0.07 0.00 1.34 0.00 0.00 72.50 71.90 3kpm s THR 187 CO 0.09 0.34 0.64 -1.38 -0.54 0.00 0.00 174.62 173.77 3kpm s HIS 188 N -0.83 -0.56 -0.15 3.99 -3.43 -1.07 -5.00 115.29 108.24 3kpm s HIS 188 Ca 0.12 0.53 -0.02 0.00 -0.80 0.00 0.00 55.06 54.89 3kpm s HIS 188 Cb -0.10 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 3kpm s HIS 188 CO 0.03 -0.76 -0.10 0.08 -2.00 0.00 0.00 174.74 171.98 3kpm s VAL 189 N -3.03 3.26 0.27 -5.38 1.01 -1.26 -0.53 120.40 114.74 3kpm s VAL 189 Ca -0.02 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3kpm s VAL 189 Cb -0.01 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3kpm s VAL 189 CO -0.07 0.50 0.27 0.42 0.00 0.00 0.00 175.10 176.23 3kpm s THR 190 N 0.58 4.41 -0.08 3.92 -4.23 -0.11 -4.69 115.64 115.45 3kpm s THR 190 Ca -0.06 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.15 3kpm s THR 190 Cb -0.15 -3.46 0.04 0.00 1.34 0.00 0.00 72.50 70.26 3kpm s THR 190 CO 0.03 -0.30 0.05 -2.28 -0.54 0.00 0.00 174.62 171.59 3kpm s HIS 191 N -2.14 0.25 -0.10 3.99 5.04 -1.26 -1.75 115.29 119.32 3kpm s HIS 191 Ca 0.36 0.02 -0.02 0.00 -1.54 0.00 0.00 55.06 53.88 3kpm s HIS 191 Cb -0.08 -0.61 0.03 0.00 0.04 0.00 0.00 32.58 31.97 3kpm s HIS 191 CO 0.27 -0.30 0.00 -1.01 -2.34 0.00 0.00 174.74 171.36 3kpm s HIS 192 N 2.11 0.81 0.26 3.88 3.76 -0.52 -4.99 115.29 120.60 3kpm s HIS 192 Ca 0.04 -0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.28 3kpm s HIS 192 Cb -0.13 -0.89 -0.12 0.00 1.11 0.00 0.00 32.58 32.56 3kpm s HIS 192 CO -0.05 -0.41 1.65 -2.30 -0.85 0.00 0.00 174.74 172.79 3kpm n PRO 193 N 5.11 2.75 0.01 8.40 -0.02 -1.26 -0.26 135.00 149.73 3kpm n PRO 193 Ca -0.08 0.99 -0.22 0.00 -2.02 0.00 0.00 63.50 62.17 3kpm n PRO 193 Cb 0.49 -2.80 -0.14 0.00 -0.02 0.00 0.00 33.50 31.04 3kpm n PRO 193 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3kpm h ILE 194 N 3.54 0.77 -2.67 4.25 2.04 -1.48 -3.46 117.51 120.50 3kpm h ILE 194 Ca -0.45 -2.37 -0.04 0.00 1.00 0.00 0.00 64.86 63.00 3kpm h ILE 194 Cb 1.21 2.56 -0.00 0.00 -0.74 0.00 0.00 36.82 39.85 3kpm h ILE 194 CO 0.86 0.81 0.13 -1.54 0.00 0.00 0.00 178.15 178.40 3kpm n SER 195 N -3.66 -1.27 -0.30 1.72 3.41 -1.09 -5.01 113.62 107.42 3kpm n SER 195 Ca -0.30 -1.96 0.03 0.00 -0.26 0.00 0.00 58.87 56.39 3kpm n SER 195 Cb 1.00 2.14 0.17 0.00 -0.26 0.00 0.00 64.21 67.25 3kpm n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kpm h ASP 196 N 1.16 0.71 0.00 4.04 3.32 -2.04 -3.12 116.42 120.50 3kpm h ASP 196 Ca -0.19 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3kpm h ASP 196 Cb 0.72 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3kpm h ASP 196 CO 0.24 0.41 -0.13 1.41 -1.72 0.00 0.00 179.24 179.46 3kpm n HIS 197 N -4.72 0.00 -4.32 4.55 8.25 -1.26 -4.81 115.22 112.91 3kpm n HIS 197 Ca 0.14 -1.00 -0.18 0.00 -0.26 0.00 0.00 57.72 56.42 3kpm n HIS 197 Cb 0.27 -0.16 -0.15 0.00 1.12 0.00 0.00 29.99 31.07 3kpm n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kpm s GLU 198 N -2.69 0.69 -0.02 -0.41 2.02 -1.18 -2.00 118.70 115.11 3kpm s GLU 198 Ca 0.31 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 55.02 3kpm s GLU 198 Cb 0.28 -0.66 0.02 0.00 0.10 0.00 0.00 34.13 33.86 3kpm s GLU 198 CO 0.01 0.16 -0.01 0.54 0.02 0.00 0.00 175.26 175.98 3kpm s VAL 199 N -0.11 0.16 -0.14 2.63 0.11 0.01 -1.13 120.40 121.93 3kpm s VAL 199 Ca 0.02 0.03 -0.24 0.00 -2.93 0.00 0.00 61.98 58.87 3kpm s VAL 199 Cb -0.04 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 3kpm s VAL 199 CO -0.00 0.11 0.74 -0.89 -3.33 0.00 0.00 175.10 171.73 3kpm s THR 200 N 0.68 4.98 -0.24 5.04 2.01 0.64 -0.99 115.64 127.75 3kpm s THR 200 Ca -0.07 1.46 -0.08 0.00 0.31 0.00 0.00 61.69 63.32 3kpm s THR 200 Cb -0.10 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3kpm s THR 200 CO -0.01 0.13 0.08 -0.76 -0.69 0.00 0.00 174.62 173.37 3kpm s LEU 201 N 1.59 3.55 -0.16 4.42 1.43 -0.14 -1.44 118.68 127.93 3kpm s LEU 201 Ca 0.36 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3kpm s LEU 201 Cb -0.17 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3kpm s LEU 201 CO 0.14 0.00 -0.19 -0.60 0.23 0.00 0.00 176.35 175.93 3kpm s ARG 202 N 1.41 3.07 -0.26 1.70 3.52 -0.72 -1.24 118.95 126.43 3kpm s ARG 202 Ca 0.06 -0.81 -0.13 0.00 -0.13 0.00 0.00 55.73 54.71 3kpm s ARG 202 Cb -0.15 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 3kpm s ARG 202 CO 0.04 -0.09 0.29 0.00 -0.81 0.00 0.00 175.30 174.73 3kpm s TRP 204 N 1.78 3.25 -0.13 0.00 0.52 0.32 -1.52 118.94 123.15 3kpm s TRP 204 Ca 0.12 0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.47 3kpm s TRP 204 Cb -0.15 -1.85 0.02 0.00 -1.15 0.00 0.00 33.47 30.34 3kpm s TRP 204 CO 0.09 0.48 -0.12 0.00 0.02 0.00 0.00 176.95 177.42 3kpm s ALA 205 N -0.76 1.69 0.09 0.98 0.00 0.04 -2.59 121.76 121.20 3kpm s ALA 205 Ca 0.12 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.37 3kpm s ALA 205 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 3kpm s ALA 205 CO 0.02 -0.35 -0.18 -0.51 0.00 0.00 0.00 175.76 174.74 3kpm s LEU 206 N 1.48 2.29 -0.33 0.00 1.43 -0.18 -1.15 118.68 122.23 3kpm s LEU 206 Ca 0.03 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3kpm s LEU 206 Cb -0.13 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.35 3kpm s LEU 206 CO -0.09 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.11 3kpm n GLY 207 N 1.16 0.52 3.92 -3.19 0.00 -0.84 -0.23 105.19 106.53 3kpm n GLY 207 Ca -0.20 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 3kpm n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpm s PHE 208 N -2.13 3.47 -0.16 1.61 -0.71 -1.12 -4.64 117.98 114.29 3kpm s PHE 208 Ca 0.00 0.17 -0.12 0.00 -1.04 0.00 0.00 56.93 55.94 3kpm s PHE 208 Cb 0.00 -1.70 0.05 0.00 -1.21 0.00 0.00 43.02 40.16 3kpm s PHE 208 CO 0.00 0.55 0.41 -0.47 -1.34 0.00 0.00 175.22 174.37 3kpm s TYR 209 N -1.62 -0.52 0.87 3.49 6.14 -0.46 -0.56 117.35 124.69 3kpm s TYR 209 Ca 0.34 1.18 -0.15 0.00 0.64 0.00 0.00 57.07 59.09 3kpm s TYR 209 Cb -0.12 0.21 0.21 0.00 0.42 0.00 0.00 41.96 42.68 3kpm s TYR 209 CO 0.28 -0.28 0.95 -0.35 0.64 0.00 0.00 175.55 176.79 3kpm n PRO 210 N 3.55 -1.88 0.20 4.97 -0.04 -1.26 -0.52 135.00 140.02 3kpm n PRO 210 Ca -0.18 -1.50 0.06 0.00 -0.04 0.00 0.00 63.50 61.84 3kpm n PRO 210 Cb 0.56 -1.19 0.41 0.00 -0.04 0.00 0.00 33.50 33.24 3kpm n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kpm h ALA 211 N -2.22 1.13 -2.55 0.55 0.00 -1.94 -3.45 119.26 110.77 3kpm h ALA 211 Ca -0.33 -0.30 -0.52 0.00 0.00 0.00 0.00 54.91 53.75 3kpm h ALA 211 Cb 0.96 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.75 3kpm h ALA 211 CO 0.23 0.41 1.09 -2.00 0.00 0.00 0.00 179.25 178.98 3kpm s GLU 212 N -3.84 4.13 0.03 0.00 2.56 -1.26 -4.97 118.70 115.35 3kpm s GLU 212 Ca -0.01 2.61 -0.26 0.00 0.00 0.00 0.00 54.97 57.31 3kpm s GLU 212 Cb 0.12 -3.45 0.06 0.00 2.00 0.00 0.00 34.13 32.86 3kpm s GLU 212 CO 0.68 -0.82 0.60 -1.50 -0.56 0.00 0.00 175.26 173.66 3kpm s ILE 213 N 2.31 0.01 -0.09 -3.70 2.07 -1.26 -4.63 121.20 115.91 3kpm s ILE 213 Ca 0.80 -0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.98 3kpm s ILE 213 Cb -0.47 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.14 3kpm s ILE 213 CO 0.35 -0.05 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.25 3kpm s THR 214 N -2.16 1.72 -0.10 4.00 2.01 -0.54 -4.99 115.64 115.58 3kpm s THR 214 Ca -0.07 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3kpm s THR 214 Cb -0.01 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.01 3kpm s THR 214 CO 0.01 0.49 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.55 3kpm s LEU 215 N 0.52 1.49 0.02 4.42 1.43 -1.26 -1.26 118.68 124.05 3kpm s LEU 215 Ca -0.16 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3kpm s LEU 215 Cb -0.17 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 3kpm s LEU 215 CO 0.06 -0.04 0.01 0.42 0.23 0.00 0.00 176.35 177.03 3kpm s THR 216 N 1.20 0.13 -0.05 5.49 -4.23 -0.61 -4.95 115.64 112.61 3kpm s THR 216 Ca -0.04 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.43 3kpm s THR 216 Cb -0.14 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 3kpm s THR 216 CO -0.03 -0.57 0.03 0.26 -0.54 0.00 0.00 174.62 173.77 3kpm s TRP 217 N -1.95 3.21 0.07 3.99 0.52 -1.26 -0.18 118.94 123.33 3kpm s TRP 217 Ca -0.11 0.20 0.09 0.00 0.02 0.00 0.00 56.10 56.30 3kpm s TRP 217 Cb -0.06 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3kpm s TRP 217 CO -0.02 0.51 -0.24 -0.65 0.02 0.00 0.00 176.95 176.57 3kpm s GLN 218 N -1.22 1.44 -0.16 4.98 -0.21 0.41 -1.54 119.66 123.35 3kpm s GLN 218 Ca 0.17 -1.12 0.01 0.00 0.02 0.00 0.00 55.36 54.44 3kpm s GLN 218 Cb -0.12 -1.69 0.01 0.00 1.00 0.00 0.00 33.01 32.21 3kpm s GLN 218 CO 0.07 0.42 -0.17 0.50 -2.12 0.00 0.00 175.29 173.99 3kpm s ARG 219 N -1.53 3.13 -1.28 2.91 3.52 -0.28 -1.36 118.95 124.07 3kpm s ARG 219 Ca 0.10 -0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 54.89 3kpm s ARG 219 Cb -0.10 -2.60 0.02 0.00 -1.56 0.00 0.00 34.95 30.71 3kpm s ARG 219 CO 0.03 -0.07 0.21 -0.25 -0.81 0.00 0.00 175.30 174.41 3kpm n ASP 220 N 4.28 -4.45 0.00 -2.12 8.00 -0.49 -0.82 116.55 120.95 3kpm n ASP 220 Ca -0.20 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.26 3kpm n ASP 220 Cb 0.51 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 3kpm n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpm n GLY 221 N -1.03 0.72 3.50 0.44 0.00 -1.26 -5.05 105.19 102.52 3kpm n GLY 221 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 3kpm n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kpm s GLU 222 N -0.16 3.68 0.19 1.61 2.12 -0.00 -5.02 118.70 121.12 3kpm s GLU 222 Ca 0.00 -0.51 -0.33 0.00 0.36 0.00 0.00 54.97 54.49 3kpm s GLU 222 Cb 0.00 -2.94 -0.14 0.00 0.26 0.00 0.00 34.13 31.31 3kpm s GLU 222 CO 0.00 0.23 1.36 -0.25 -0.54 0.00 0.00 175.26 176.07 3kpm n ASP 223 N 3.56 2.32 -2.51 -1.70 8.00 -1.26 -1.13 116.55 123.84 3kpm n ASP 223 Ca -0.17 1.13 -0.32 0.00 0.71 0.00 0.00 54.79 56.14 3kpm n ASP 223 Cb 0.52 -1.35 0.03 0.00 -0.02 0.00 0.00 41.12 40.30 3kpm n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpm n GLN 224 N 2.23 3.15 -0.06 -1.24 1.13 -0.59 -4.87 117.38 117.13 3kpm n GLN 224 Ca 0.14 -3.97 -0.08 0.00 -1.94 0.00 0.00 57.00 51.16 3kpm n GLN 224 Cb 0.28 -2.27 -0.01 0.00 0.11 0.00 0.00 30.24 28.35 3kpm n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3kpm h THR 225 N 2.10 0.87 -0.31 5.09 2.02 -1.92 -1.78 112.91 118.98 3kpm h THR 225 Ca 0.44 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.52 3kpm h THR 225 Cb 0.74 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3kpm h THR 225 CO 1.12 0.02 -0.06 1.56 0.37 0.00 0.00 175.52 178.54 3kpm h GLN 226 N 0.13 0.49 -0.52 6.66 1.08 -2.00 -2.95 115.11 118.00 3kpm h GLN 226 Ca 0.12 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kpm h GLN 226 Cb 0.13 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3kpm h GLN 226 CO -0.16 0.56 0.00 -0.25 -0.95 0.00 0.00 178.83 178.03 3kpm n ASP 227 N -4.25 4.68 -4.62 1.46 8.00 -1.04 -4.88 116.55 115.91 3kpm n ASP 227 Ca 0.01 -2.65 -0.36 0.00 0.71 0.00 0.00 54.79 52.50 3kpm n ASP 227 Cb 0.28 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.71 3kpm n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpm s THR 228 N -2.20 5.02 -0.25 -3.53 2.01 -0.70 -4.37 115.64 111.62 3kpm s THR 228 Ca 0.48 0.06 -0.20 0.00 0.31 0.00 0.00 61.69 62.34 3kpm s THR 228 Cb 0.34 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 3kpm s THR 228 CO 0.18 0.38 0.59 -0.70 -0.69 0.00 0.00 174.62 174.38 3kpm s GLU 229 N 0.96 4.10 -0.16 4.92 2.12 0.07 -4.92 118.70 125.79 3kpm s GLU 229 Ca 0.06 0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.88 3kpm s GLU 229 Cb -0.13 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.62 3kpm s GLU 229 CO 0.03 -0.39 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.01 3kpm s LEU 230 N 2.42 2.00 0.44 2.70 2.96 -1.26 -0.41 118.68 127.54 3kpm s LEU 230 Ca 0.25 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 3kpm s LEU 230 Cb -0.16 -1.38 -0.07 0.00 0.50 0.00 0.00 46.19 45.09 3kpm s LEU 230 CO 0.09 0.01 0.84 0.68 -1.32 0.00 0.00 176.35 176.65 3kpm s VAL 231 N 1.16 4.70 0.36 1.68 -7.23 -1.02 -5.04 120.40 115.01 3kpm s VAL 231 Ca 0.01 0.82 -0.28 0.00 -1.81 0.00 0.00 61.98 60.71 3kpm s VAL 231 Cb -0.14 -3.73 -0.11 0.00 0.56 0.00 0.00 36.38 32.96 3kpm s VAL 231 CO -0.08 -0.59 1.42 -0.70 -0.31 0.00 0.00 175.10 174.84 3kpm s GLU 232 N -3.95 4.20 0.24 4.82 2.12 -1.26 -4.62 118.70 120.25 3kpm s GLU 232 Ca 0.54 2.44 -0.31 0.00 0.36 0.00 0.00 54.97 57.99 3kpm s GLU 232 Cb -0.10 -3.01 -0.13 0.00 0.26 0.00 0.00 34.13 31.15 3kpm s GLU 232 CO 0.32 -0.41 1.51 2.41 -0.54 0.00 0.00 175.26 178.55 3kpm n THR 233 N 0.65 0.72 -4.44 -1.70 -1.04 -1.26 -4.84 114.28 102.36 3kpm n THR 233 Ca 0.01 -0.18 -0.20 0.00 -2.04 0.00 0.00 64.05 61.63 3kpm n THR 233 Cb 0.40 -1.66 -0.14 0.00 -1.82 0.00 0.00 70.33 67.12 3kpm n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kpm s ARG 234 N -0.07 0.97 0.24 -2.82 1.70 -0.42 -4.96 118.95 113.59 3kpm s ARG 234 Ca 0.70 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 55.03 3kpm s ARG 234 Cb -0.60 -0.96 -0.09 0.00 -0.57 0.00 0.00 34.95 32.73 3kpm s ARG 234 CO 0.46 0.25 1.16 -1.25 -1.08 0.00 0.00 175.30 174.83 3kpm s PRO 235 N -0.79 4.55 0.20 3.89 0.04 -1.26 -0.38 135.00 141.25 3kpm s PRO 235 Ca 0.03 1.86 0.12 0.00 0.04 0.00 0.00 61.00 63.06 3kpm s PRO 235 Cb -0.07 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 3kpm s PRO 235 CO 0.01 0.05 1.31 0.00 0.04 0.00 0.00 177.00 178.40 3kpm h ALA 236 N 4.44 0.57 0.00 8.56 0.00 -1.15 -3.47 119.26 128.22 3kpm h ALA 236 Ca -0.46 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.78 3kpm h ALA 236 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kpm h ALA 236 CO 0.70 0.89 0.00 0.41 0.00 0.00 0.00 179.25 181.25 3kpm n GLY 237 N 1.29 0.59 0.39 0.00 0.00 -1.26 -4.95 105.19 101.26 3kpm n GLY 237 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3kpm n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kpm n ASP 238 N 0.00 2.37 0.00 1.61 5.68 -1.26 -4.94 116.55 120.00 3kpm n ASP 238 Ca 0.00 -3.35 0.00 0.00 -0.50 0.00 0.00 54.79 50.94 3kpm n ASP 238 Cb 0.00 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 3kpm n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3kpm n ARG 239 N -1.23 0.00 -2.54 0.11 1.85 -1.26 -5.04 116.66 108.55 3kpm n ARG 239 Ca 0.19 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.81 3kpm n ARG 239 Cb 0.71 -0.19 0.05 0.00 -1.05 0.00 0.00 32.46 31.99 3kpm n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kpm s THR 240 N -2.03 2.51 0.31 8.89 -4.23 -1.26 -4.87 115.64 114.96 3kpm s THR 240 Ca 0.00 -0.57 0.07 0.00 -1.18 0.00 0.00 61.69 60.01 3kpm s THR 240 Cb 0.00 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.84 3kpm s THR 240 CO 0.00 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.66 3kpm s PHE 241 N -2.92 2.12 0.09 3.99 0.40 0.28 -0.56 117.98 121.38 3kpm s PHE 241 Ca 0.59 -0.66 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 3kpm s PHE 241 Cb -0.10 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 3kpm s PHE 241 CO 0.41 0.36 -0.09 -0.65 0.70 0.00 0.00 175.22 175.95 3kpm s GLN 242 N -3.70 0.80 -0.08 0.44 -0.21 0.49 -1.98 119.66 115.41 3kpm s GLN 242 Ca 0.31 -1.13 -0.31 0.00 0.02 0.00 0.00 55.36 54.25 3kpm s GLN 242 Cb 0.04 -0.44 0.09 0.00 1.00 0.00 0.00 33.01 33.70 3kpm s GLN 242 CO 0.14 0.06 0.77 0.21 -2.12 0.00 0.00 175.29 174.35 3kpm s LYS 243 N -2.81 0.93 0.05 2.91 2.20 -0.30 -1.30 119.74 121.41 3kpm s LYS 243 Ca 0.04 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 3kpm s LYS 243 Cb -0.02 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 3kpm s LYS 243 CO -0.01 -0.29 -0.03 1.67 -0.36 0.00 0.00 175.35 176.33 3kpm s TRP 244 N -1.19 0.53 -0.04 4.03 1.48 -1.26 -0.78 118.94 121.70 3kpm s TRP 244 Ca -0.08 -1.01 0.02 0.00 -1.06 0.00 0.00 56.10 53.97 3kpm s TRP 244 Cb -0.00 -0.38 0.01 0.00 -1.16 0.00 0.00 33.47 31.94 3kpm s TRP 244 CO 0.07 -0.34 -0.07 0.00 -4.06 0.00 0.00 176.95 172.55 3kpm s ALA 245 N -3.66 0.78 0.05 2.67 0.00 -0.58 -2.45 121.76 118.57 3kpm s ALA 245 Ca 0.05 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.89 3kpm s ALA 245 Cb 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3kpm s ALA 245 CO -0.09 0.06 -0.19 0.00 0.00 0.00 0.00 175.76 175.55 3kpm s ALA 246 N 0.58 1.59 0.06 0.00 0.00 0.46 -0.32 121.76 124.13 3kpm s ALA 246 Ca -0.09 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.90 3kpm s ALA 246 Cb -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 3kpm s ALA 246 CO 0.01 0.34 -0.13 0.14 0.00 0.00 0.00 175.76 176.11 3kpm s VAL 247 N -0.87 1.02 -0.25 0.00 -7.23 -0.37 -0.75 120.40 111.94 3kpm s VAL 247 Ca 0.05 -1.21 -0.09 0.00 -1.81 0.00 0.00 61.98 58.92 3kpm s VAL 247 Cb -0.09 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 3kpm s VAL 247 CO 0.02 -0.21 0.13 -0.69 -0.31 0.00 0.00 175.10 174.05 3kpm s VAL 248 N -1.21 4.99 0.12 1.32 1.01 -1.26 -0.96 120.40 124.40 3kpm s VAL 248 Ca -0.03 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3kpm s VAL 248 Cb -0.10 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3kpm s VAL 248 CO 0.02 0.32 -0.20 0.68 0.00 0.00 0.00 175.10 175.92 3kpm s VAL 249 N 1.37 1.74 0.38 2.92 -7.23 -0.16 -4.93 120.40 114.48 3kpm s VAL 249 Ca 0.06 -1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 58.34 3kpm s VAL 249 Cb -0.15 -1.62 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 3kpm s VAL 249 CO 0.06 -0.11 1.35 -2.84 -0.31 0.00 0.00 175.10 173.24 3kpm s PRO 250 N -2.10 4.10 0.29 4.82 0.02 -1.26 -0.81 135.00 140.05 3kpm s PRO 250 Ca 0.08 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 63.08 3kpm s PRO 250 Cb -0.09 -2.89 -0.11 0.00 0.02 0.00 0.00 34.50 31.43 3kpm s PRO 250 CO 0.05 -0.43 1.61 -1.54 -0.33 0.00 0.00 177.00 176.36 3kpm s SER 251 N -0.53 6.36 0.00 2.53 1.04 -0.85 -1.92 113.70 120.34 3kpm s SER 251 Ca 0.54 2.95 0.00 0.00 0.48 0.00 0.00 55.95 59.92 3kpm s SER 251 Cb -0.41 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.08 3kpm s SER 251 CO 0.53 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3kpm n GLY 252 N 2.29 1.17 0.89 7.32 0.00 -1.26 -4.90 105.19 110.70 3kpm n GLY 252 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3kpm n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kpm n GLU 253 N -2.00 2.47 -0.17 1.61 1.02 -0.81 -4.68 120.64 118.09 3kpm n GLU 253 Ca 0.00 -2.13 0.17 0.00 -0.02 0.00 0.00 57.16 55.18 3kpm n GLU 253 Cb 0.00 -1.38 0.53 0.00 -0.02 0.00 0.00 31.44 30.57 3kpm n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kpm h GLU 254 N 3.08 0.36 0.00 3.49 3.07 -1.91 -1.25 114.58 121.41 3kpm h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3kpm h GLU 254 Cb 0.81 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3kpm h GLU 254 CO 0.00 0.24 0.00 1.04 -1.40 0.00 0.00 179.01 178.89 3kpm n GLN 255 N -4.47 0.18 0.01 2.33 1.13 -1.26 -2.28 117.38 113.02 3kpm n GLN 255 Ca 0.15 0.08 0.14 0.00 -1.94 0.00 0.00 57.00 55.43 3kpm n GLN 255 Cb 0.58 -1.50 0.53 0.00 0.11 0.00 0.00 30.24 29.96 3kpm n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kpm n ARG 256 N -1.38 0.02 -4.22 -1.09 1.74 -0.47 -4.82 116.66 106.43 3kpm n ARG 256 Ca 0.09 0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 3kpm n ARG 256 Cb 0.22 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 3kpm n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kpm s TYR 257 N -3.01 3.19 0.01 -1.55 1.51 -0.96 -1.40 117.35 115.15 3kpm s TYR 257 Ca 0.13 0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.30 3kpm s TYR 257 Cb 0.18 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 3kpm s TYR 257 CO 0.57 0.27 -0.12 -0.08 -1.11 0.00 0.00 175.55 175.08 3kpm s THR 258 N -0.20 0.94 -0.15 -0.71 -1.32 -0.46 -4.65 115.64 109.08 3kpm s THR 258 Ca 0.06 -0.71 -0.08 0.00 -1.21 0.00 0.00 61.69 59.75 3kpm s THR 258 Cb -0.12 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 3kpm s THR 258 CO 0.02 0.11 0.12 0.00 -2.21 0.00 0.00 174.62 172.66 3kpm s HIS 260 N -0.35 2.69 -0.07 0.00 3.76 0.74 -0.46 115.29 121.59 3kpm s HIS 260 Ca 0.11 -1.04 0.05 0.00 -0.15 0.00 0.00 55.06 54.02 3kpm s HIS 260 Cb -0.12 -1.81 -0.00 0.00 1.11 0.00 0.00 32.58 31.76 3kpm s HIS 260 CO 0.01 -0.44 -0.22 0.54 -0.85 0.00 0.00 174.74 173.78 3kpm s VAL 261 N 0.58 1.82 -0.06 -0.90 0.11 -0.46 -1.58 120.40 119.91 3kpm s VAL 261 Ca -0.11 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 3kpm s VAL 261 Cb -0.16 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.13 3kpm s VAL 261 CO 0.03 0.51 -0.15 -1.10 -3.33 0.00 0.00 175.10 171.06 3kpm s GLN 262 N 0.14 1.88 -0.14 1.54 -0.21 -0.39 -1.14 119.66 121.34 3kpm s GLN 262 Ca -0.10 -0.52 -0.28 0.00 0.02 0.00 0.00 55.36 54.49 3kpm s GLN 262 Cb -0.15 -1.54 0.07 0.00 1.00 0.00 0.00 33.01 32.38 3kpm s GLN 262 CO 0.05 0.10 0.68 -1.58 -2.12 0.00 0.00 175.29 172.42 3kpm s HIS 263 N 0.46 -0.69 0.53 0.91 2.46 -1.26 -1.46 115.29 116.24 3kpm s HIS 263 Ca -0.12 1.42 0.35 0.00 0.47 0.00 0.00 55.06 57.18 3kpm s HIS 263 Cb -0.15 0.33 1.91 0.00 -0.13 0.00 0.00 32.58 34.55 3kpm s HIS 263 CO 0.04 -0.50 2.23 1.05 -2.47 0.00 0.00 174.74 175.09 3kpm h GLU 264 N 3.92 0.00 0.00 2.88 4.11 -1.94 -0.58 114.58 122.97 3kpm h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3kpm h GLU 264 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kpm h GLU 264 CO 0.25 0.03 0.00 0.41 0.07 0.00 0.00 179.01 179.77 3kpm n GLY 265 N -0.94 -1.28 3.62 1.06 0.00 -1.26 -4.72 105.19 101.67 3kpm n GLY 265 Ca -0.02 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3kpm n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kpm s LEU 266 N -2.79 3.89 0.51 0.99 1.43 -0.23 -4.55 118.68 117.93 3kpm s LEU 266 Ca 0.19 0.05 0.27 0.00 -1.03 0.00 0.00 54.13 53.61 3kpm s LEU 266 Cb 0.17 -2.02 1.34 0.00 0.03 0.00 0.00 46.19 45.71 3kpm s LEU 266 CO 0.44 0.09 2.01 1.55 0.23 0.00 0.00 176.35 180.67 3kpm h PRO 267 N 7.31 0.00 -3.65 1.29 0.13 -1.85 -3.44 132.00 131.80 3kpm h PRO 267 Ca -0.38 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 3kpm h PRO 267 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 3kpm h PRO 267 CO 0.66 0.14 -0.56 -1.59 -0.23 0.00 0.00 178.00 176.42 3kpm s LYS 268 N -4.03 0.39 0.49 0.86 0.00 -1.26 -5.14 119.74 111.05 3kpm s LYS 268 Ca -0.02 -0.40 -0.24 0.00 0.00 0.00 0.00 55.97 55.31 3kpm s LYS 268 Cb 0.12 0.16 -0.07 0.00 0.00 0.00 0.00 37.83 38.04 3kpm s LYS 268 CO 0.59 -0.08 1.35 -2.30 0.00 0.00 0.00 175.35 174.91 3kpm n PRO 269 N 1.67 1.92 -3.91 1.78 -0.02 -1.26 -4.95 135.00 130.22 3kpm n PRO 269 Ca -0.22 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 3kpm n PRO 269 Cb 0.56 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 3kpm n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kpm s LEU 270 N -2.70 4.35 -0.13 2.45 1.43 -0.29 -4.94 118.68 118.85 3kpm s LEU 270 Ca 0.65 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 3kpm s LEU 270 Cb -0.45 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 42.81 3kpm s LEU 270 CO 0.54 0.16 -0.20 -0.89 0.23 0.00 0.00 176.35 176.19 3kpm s THR 271 N -1.53 1.88 0.09 5.49 2.01 -1.26 -1.36 115.64 120.96 3kpm s THR 271 Ca 0.35 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.56 3kpm s THR 271 Cb -0.13 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 3kpm s THR 271 CO 0.28 0.51 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.77 3kpm s LEU 272 N 0.91 2.27 0.14 4.42 1.02 0.39 -4.96 118.68 122.86 3kpm s LEU 272 Ca -0.06 -0.64 0.04 0.00 0.02 0.00 0.00 54.13 53.48 3kpm s LEU 272 Cb -0.15 -0.81 -0.04 0.00 0.02 0.00 0.00 46.19 45.20 3kpm s LEU 272 CO -0.03 0.04 -0.08 -0.13 0.02 0.00 0.00 176.35 176.18 3kpm s ARG 273 N -1.75 1.02 0.18 1.70 0.52 -1.26 -0.45 118.95 118.90 3kpm s ARG 273 Ca 0.05 -1.44 -0.32 0.00 -0.52 0.00 0.00 55.73 53.50 3kpm s ARG 273 Cb -0.10 -0.50 -0.11 0.00 0.52 0.00 0.00 34.95 34.76 3kpm s ARG 273 CO 0.03 0.03 1.76 -0.46 0.02 0.00 0.00 175.30 176.68 3kpm s TRP 274 N -3.43 2.66 -0.54 -0.53 -0.00 -1.26 -4.72 118.94 111.13 3kpm s TRP 274 Ca 0.16 0.22 -0.02 0.00 -0.00 0.00 0.00 56.10 56.47 3kpm s TRP 274 Cb 0.04 -4.15 0.14 0.00 -0.00 0.00 0.00 33.47 29.49 3kpm s TRP 274 CO -0.00 -4.50 0.33 -1.21 -0.00 0.00 0.00 176.95 171.57 3kpm s GLU 275 N 1.67 2.28 0.00 5.86 0.41 -1.26 -4.98 118.70 122.68 3kpm s GLU 275 Ca 0.77 -2.30 0.32 0.00 -0.41 0.00 0.00 54.97 53.34 3kpm s GLU 275 Cb -0.49 -3.62 1.88 0.00 -1.78 0.00 0.00 34.13 30.13 3kpm s GLU 275 CO 0.33 -1.13 2.21 -0.35 -0.49 0.00 0.00 175.26 175.84