#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5n s SER 2 N 0.00 6.82 0.17 1.61 0.01 -1.26 -3.08 113.70 117.97 1k5n s SER 2 Ca 0.00 1.19 -0.09 0.00 1.31 0.00 0.00 55.95 58.36 1k5n s SER 2 Cb 0.00 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 1k5n s SER 2 CO 0.00 -0.05 0.30 -1.00 0.41 0.00 0.00 173.24 172.90 1k5n s HIS 3 N -1.71 0.41 0.02 2.43 4.02 -0.48 -5.01 115.29 114.96 1k5n s HIS 3 Ca 0.46 -0.77 -0.05 0.00 1.02 0.00 0.00 55.06 55.72 1k5n s HIS 3 Cb -0.13 -0.05 -0.01 0.00 -1.02 0.00 0.00 32.58 31.37 1k5n s HIS 3 CO 0.19 -0.74 0.08 -1.54 1.02 0.00 0.00 174.74 173.76 1k5n s SER 4 N -2.98 0.13 -0.10 1.40 1.04 -1.26 -0.74 113.70 111.19 1k5n s SER 4 Ca 0.18 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1k5n s SER 4 Cb 0.03 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.35 1k5n s SER 4 CO 0.01 -0.40 -0.16 -0.32 0.98 0.00 0.00 173.24 173.35 1k5n s MET 5 N -1.82 2.22 -0.01 4.02 0.00 -0.37 -0.93 119.30 122.41 1k5n s MET 5 Ca -0.12 -0.57 0.01 0.00 0.00 0.00 0.00 55.69 55.01 1k5n s MET 5 Cb -0.06 -1.84 0.00 0.00 0.00 0.00 0.00 34.83 32.93 1k5n s MET 5 CO -0.01 -0.01 -0.04 1.03 0.00 0.00 0.00 175.02 175.99 1k5n s ARG 6 N 0.83 0.37 -0.10 4.11 0.52 -0.44 -1.35 118.95 122.89 1k5n s ARG 6 Ca -0.10 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 1k5n s ARG 6 Cb -0.16 -0.39 -0.02 0.00 0.52 0.00 0.00 34.95 34.91 1k5n s ARG 6 CO 0.01 0.05 -0.13 0.71 0.02 0.00 0.00 175.30 175.96 1k5n s TYR 7 N 0.10 2.78 -0.01 -0.53 2.02 -0.26 -0.97 117.35 120.48 1k5n s TYR 7 Ca -0.01 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.29 1k5n s TYR 7 Cb -0.04 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 1k5n s TYR 7 CO -0.00 -0.07 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.65 1k5n s PHE 8 N -0.03 2.50 -0.05 2.71 0.08 -0.24 -1.79 117.98 121.16 1k5n s PHE 8 Ca -0.03 -0.30 -0.03 0.00 0.12 0.00 0.00 56.93 56.69 1k5n s PHE 8 Cb -0.14 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.81 1k5n s PHE 8 CO 0.04 0.12 0.11 -1.01 -0.10 0.00 0.00 175.22 174.38 1k5n s HIS 9 N -0.74 -0.12 -0.03 0.36 3.76 -0.15 -1.52 115.29 116.85 1k5n s HIS 9 Ca 0.12 0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 55.35 1k5n s HIS 9 Cb -0.10 -0.02 0.03 0.00 1.11 0.00 0.00 32.58 33.59 1k5n s HIS 9 CO 0.01 -0.09 0.02 0.99 -0.85 0.00 0.00 174.74 174.82 1k5n s THR 10 N 0.49 0.04 -0.07 1.30 2.01 -0.27 -1.53 115.64 117.60 1k5n s THR 10 Ca -0.04 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1k5n s THR 10 Cb -0.05 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1k5n s THR 10 CO -0.02 0.14 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.34 1k5n s SER 11 N 1.30 3.90 -0.17 3.53 0.15 -0.17 -1.32 113.70 120.92 1k5n s SER 11 Ca -0.06 -0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 1k5n s SER 11 Cb -0.13 -1.05 0.05 0.00 -1.71 0.00 0.00 66.02 63.18 1k5n s SER 11 CO -0.03 0.28 -0.01 -0.69 1.20 0.00 0.00 173.24 173.99 1k5n s VAL 12 N -0.36 0.84 0.59 4.45 1.01 -0.75 -0.99 120.40 125.19 1k5n s VAL 12 Ca 0.03 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1k5n s VAL 12 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1k5n s VAL 12 CO 0.02 0.00 1.06 -0.94 0.00 0.00 0.00 175.10 175.24 1k5n s SER 13 N 1.74 5.80 -0.43 3.32 1.04 -0.37 -1.98 113.70 122.81 1k5n s SER 13 Ca 0.00 1.84 0.07 0.00 0.48 0.00 0.00 55.95 58.34 1k5n s SER 13 Cb -0.16 -2.54 0.24 0.00 0.10 0.00 0.00 66.02 63.66 1k5n s SER 13 CO -0.07 -1.16 0.65 -2.11 0.98 0.00 0.00 173.24 171.53 1k5n n ARG 14 N -1.94 0.70 -1.69 4.02 1.85 -1.26 -4.17 116.66 114.17 1k5n n ARG 14 Ca 0.09 -2.63 -0.44 0.00 -1.00 0.00 0.00 57.85 53.87 1k5n n ARG 14 Cb 0.53 -1.34 -0.03 0.00 -1.05 0.00 0.00 32.46 30.57 1k5n n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1k5n n PRO 15 N 1.63 2.25 -0.90 2.89 -0.02 -1.26 -0.78 135.00 138.80 1k5n n PRO 15 Ca 0.17 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1k5n n PRO 15 Cb 0.56 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1k5n n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k5n n GLY 16 N 2.56 0.93 2.02 -1.23 0.00 -1.26 -4.87 105.19 103.33 1k5n n GLY 16 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1k5n n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5n n ARG 17 N -2.05 2.28 0.00 1.61 1.74 0.04 -5.11 116.66 115.17 1k5n n ARG 17 Ca 0.00 -3.57 0.00 0.00 -0.77 0.00 0.00 57.85 53.51 1k5n n ARG 17 Cb 0.00 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1k5n n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k5n n GLY 18 N -0.59 -1.66 3.91 -0.13 0.00 -1.25 -4.91 105.19 100.56 1k5n n GLY 18 Ca 0.24 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 1k5n n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k5n s GLU 19 N 0.00 3.49 0.31 1.61 0.41 -1.26 -4.60 118.70 118.67 1k5n s GLU 19 Ca 0.00 0.10 -0.29 0.00 -0.41 0.00 0.00 54.97 54.37 1k5n s GLU 19 Cb 0.00 -2.41 -0.12 0.00 -1.78 0.00 0.00 34.13 29.81 1k5n s GLU 19 CO 0.00 -0.18 1.40 -2.30 -0.49 0.00 0.00 175.26 173.68 1k5n n PRO 20 N -2.21 2.27 -2.62 0.39 -0.02 -1.26 -4.76 135.00 126.80 1k5n n PRO 20 Ca 0.00 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 1k5n n PRO 20 Cb 0.55 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1k5n n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1k5n s ARG 21 N -1.34 4.63 -0.16 -0.52 3.52 -0.84 -4.79 118.95 119.46 1k5n s ARG 21 Ca 0.60 1.58 0.01 0.00 -0.13 0.00 0.00 55.73 57.79 1k5n s ARG 21 Cb -0.56 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 1k5n s ARG 21 CO 0.57 0.12 -0.17 0.12 -0.81 0.00 0.00 175.30 175.13 1k5n s PHE 22 N -0.00 2.77 -0.07 5.12 5.36 -1.26 -1.81 117.98 128.08 1k5n s PHE 22 Ca 0.49 -1.15 0.02 0.00 -0.96 0.00 0.00 56.93 55.32 1k5n s PHE 22 Cb -0.26 -1.89 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1k5n s PHE 22 CO 0.32 -0.53 -0.10 0.42 -1.46 0.00 0.00 175.22 173.86 1k5n s ILE 23 N 0.89 1.06 -0.00 3.12 1.01 -0.43 -0.98 121.20 125.86 1k5n s ILE 23 Ca -0.04 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1k5n s ILE 23 Cb -0.15 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1k5n s ILE 23 CO -0.02 0.35 -0.09 0.28 0.00 0.00 0.00 174.94 175.46 1k5n s THR 24 N 0.93 0.69 0.05 2.92 -1.32 -0.42 -1.12 115.64 117.37 1k5n s THR 24 Ca -0.10 -0.44 0.04 0.00 -1.21 0.00 0.00 61.69 59.99 1k5n s THR 24 Cb -0.15 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 70.23 1k5n s THR 24 CO 0.01 0.15 -0.13 0.68 -2.21 0.00 0.00 174.62 173.12 1k5n s VAL 25 N -0.30 0.99 0.01 5.08 -7.23 -0.58 -1.04 120.40 117.33 1k5n s VAL 25 Ca 0.02 -1.09 0.07 0.00 -1.81 0.00 0.00 61.98 59.17 1k5n s VAL 25 Cb -0.04 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1k5n s VAL 25 CO -0.00 -0.14 -0.20 -0.83 -0.31 0.00 0.00 175.10 173.62 1k5n s GLY 26 N -1.39 1.48 0.04 2.32 0.00 -0.50 -1.08 107.32 108.19 1k5n s GLY 26 Ca -0.02 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.62 1k5n s GLY 26 CO 0.01 -1.00 -0.17 -0.19 0.00 0.00 0.00 173.10 171.76 1k5n s TYR 27 N -0.81 1.48 -0.23 1.90 1.51 -0.14 -0.73 117.35 120.33 1k5n s TYR 27 Ca 0.13 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1k5n s TYR 27 Cb -0.10 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.85 1k5n s TYR 27 CO 0.03 0.06 0.02 0.08 -1.11 0.00 0.00 175.55 174.62 1k5n s VAL 28 N -0.82 3.90 0.00 0.71 1.01 -0.46 -1.33 120.40 123.40 1k5n s VAL 28 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1k5n s VAL 28 Cb -0.08 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1k5n s VAL 28 CO 0.01 0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.97 1k5n n ASP 29 N 4.79 0.00 -1.80 3.32 8.00 -0.10 -0.85 116.55 129.91 1k5n n ASP 29 Ca -0.17 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.28 1k5n n ASP 29 Cb 0.51 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.90 1k5n n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1k5n n ASP 30 N 4.84 4.47 -4.30 -2.24 8.00 -1.26 -4.90 116.55 121.16 1k5n n ASP 30 Ca 0.00 -3.27 -0.36 0.00 0.71 0.00 0.00 54.79 51.87 1k5n n ASP 30 Cb 0.00 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.25 1k5n n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k5n s THR 31 N -3.02 3.50 0.22 -3.53 2.01 -0.03 -5.02 115.64 109.77 1k5n s THR 31 Ca 0.53 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 1k5n s THR 31 Cb 0.43 -2.71 -0.09 0.00 0.01 0.00 0.00 72.50 70.14 1k5n s THR 31 CO 0.12 0.26 1.33 -0.22 -0.69 0.00 0.00 174.62 175.42 1k5n s LEU 32 N 1.46 4.41 0.00 4.42 2.96 -1.26 -1.36 118.68 129.31 1k5n s LEU 32 Ca 0.03 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 1k5n s LEU 32 Cb -0.16 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1k5n s LEU 32 CO -0.01 -0.56 0.00 2.22 -1.32 0.00 0.00 176.35 176.68 1k5n n PHE 33 N 2.48 0.00 -3.92 5.38 -1.74 0.09 -4.07 117.46 115.68 1k5n n PHE 33 Ca 0.06 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.85 1k5n n PHE 33 Cb 0.42 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.33 1k5n n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1k5n s VAL 34 N -1.25 0.12 0.03 1.97 -7.23 -1.20 -0.63 120.40 112.20 1k5n s VAL 34 Ca 0.00 -0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 59.13 1k5n s VAL 34 Cb 0.00 -0.70 -0.00 0.00 0.56 0.00 0.00 36.38 36.24 1k5n s VAL 34 CO 0.00 -0.53 0.15 0.00 -0.31 0.00 0.00 175.10 174.40 1k5n s ARG 35 N -2.15 0.61 -0.08 4.82 1.04 -0.80 -1.41 118.95 120.99 1k5n s ARG 35 Ca -0.09 -0.64 -0.05 0.00 -1.04 0.00 0.00 55.73 53.92 1k5n s ARG 35 Cb -0.04 0.25 0.03 0.00 -2.04 0.00 0.00 34.95 33.16 1k5n s ARG 35 CO -0.02 -0.16 0.20 0.12 -0.04 0.00 0.00 175.30 175.39 1k5n s PHE 36 N -2.36 -0.24 -0.07 5.89 2.19 -0.21 -0.89 117.98 122.29 1k5n s PHE 36 Ca -0.07 0.61 -0.01 0.00 0.33 0.00 0.00 56.93 57.79 1k5n s PHE 36 Cb -0.02 0.02 0.03 0.00 -1.31 0.00 0.00 43.02 41.74 1k5n s PHE 36 CO -0.03 -0.17 -0.00 0.34 1.83 0.00 0.00 175.22 177.19 1k5n s ASP 37 N 0.83 1.58 0.39 6.13 -1.08 -1.26 -1.29 116.67 121.96 1k5n s ASP 37 Ca -0.06 -0.10 0.28 0.00 -0.52 0.00 0.00 52.55 52.15 1k5n s ASP 37 Cb -0.07 -0.46 1.30 0.00 -1.46 0.00 0.00 42.92 42.23 1k5n s ASP 37 CO -0.05 -0.18 1.84 0.77 0.52 0.00 0.00 175.17 178.07 1k5n h SER 38 N 8.26 0.00 0.45 -0.34 4.64 -1.45 -1.75 113.55 123.37 1k5n h SER 38 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1k5n h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1k5n h SER 38 CO 0.28 0.00 -0.14 0.47 -0.87 0.00 0.00 176.83 176.57 1k5n n ASP 39 N -2.52 0.43 -4.71 4.97 8.00 -1.26 -4.82 116.55 116.63 1k5n n ASP 39 Ca 0.00 -0.41 -0.34 0.00 0.71 0.00 0.00 54.79 54.75 1k5n n ASP 39 Cb 0.17 -0.09 0.11 0.00 -0.02 0.00 0.00 41.12 41.29 1k5n n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k5n s ALA 40 N -2.59 2.02 0.24 2.24 0.00 -0.66 -4.92 121.76 118.09 1k5n s ALA 40 Ca 0.25 0.84 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 1k5n s ALA 40 Cb 0.20 -3.47 0.28 0.00 0.00 0.00 0.00 23.12 20.12 1k5n s ALA 40 CO 0.51 -2.02 1.89 0.00 0.00 0.00 0.00 175.76 176.14 1k5n h ALA 41 N -0.54 1.20 -2.66 0.00 0.00 -1.89 -3.31 119.26 112.06 1k5n h ALA 41 Ca -0.47 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 1k5n h ALA 41 Cb 1.29 -0.33 -0.40 0.00 0.00 0.00 0.00 17.79 18.36 1k5n h ALA 41 CO 0.48 0.48 -0.81 -1.12 0.00 0.00 0.00 179.25 178.27 1k5n s SER 42 N -5.95 2.80 0.05 0.00 0.01 -1.26 -5.10 113.70 104.25 1k5n s SER 42 Ca -0.13 -3.35 -0.34 0.00 1.31 0.00 0.00 55.95 53.44 1k5n s SER 42 Cb 0.18 -0.91 -0.13 0.00 0.21 0.00 0.00 66.02 65.37 1k5n s SER 42 CO 0.80 -0.14 1.73 -2.65 0.41 0.00 0.00 173.24 173.39 1k5n n PRO 43 N 2.54 2.23 -3.71 12.44 -0.02 -1.25 -4.96 135.00 142.26 1k5n n PRO 43 Ca 0.25 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 62.41 1k5n n PRO 43 Cb 0.42 -2.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.21 1k5n n PRO 43 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1k5n s ARG 44 N 2.44 0.79 0.15 -0.52 3.52 -1.26 -5.05 118.95 119.02 1k5n s ARG 44 Ca 0.85 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.90 1k5n s ARG 44 Cb -0.66 0.35 -0.07 0.00 -1.56 0.00 0.00 34.95 33.01 1k5n s ARG 44 CO 0.44 -0.24 1.16 -2.00 -0.81 0.00 0.00 175.30 173.84 1k5n s GLU 45 N -1.83 4.51 0.04 5.12 2.12 -1.26 -4.50 118.70 122.90 1k5n s GLU 45 Ca -0.10 1.79 0.09 0.00 0.36 0.00 0.00 54.97 57.11 1k5n s GLU 45 Cb -0.03 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 1k5n s GLU 45 CO 0.02 -0.08 -0.24 -1.21 -0.54 0.00 0.00 175.26 173.21 1k5n s GLU 46 N 0.06 1.69 0.41 4.30 2.02 -0.07 -4.91 118.70 122.20 1k5n s GLU 46 Ca 0.53 -1.03 -0.24 0.00 0.02 0.00 0.00 54.97 54.25 1k5n s GLU 46 Cb -0.31 -1.83 -0.08 0.00 0.10 0.00 0.00 34.13 32.01 1k5n s GLU 46 CO 0.34 0.47 1.12 -1.25 0.02 0.00 0.00 175.26 175.96 1k5n s PRO 47 N -1.15 4.03 0.00 0.39 0.04 -1.26 -1.90 135.00 135.14 1k5n s PRO 47 Ca 0.10 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1k5n s PRO 47 Cb -0.10 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1k5n s PRO 47 CO 0.02 -0.30 0.32 0.54 0.04 0.00 0.00 177.00 177.62 1k5n n ARG 48 N -0.12 0.00 -4.10 4.56 5.12 0.20 -4.88 116.66 117.44 1k5n n ARG 48 Ca 0.05 -0.37 -0.14 0.00 -1.93 0.00 0.00 57.85 55.46 1k5n n ARG 48 Cb 0.48 -0.70 -0.12 0.00 -1.16 0.00 0.00 32.46 30.96 1k5n n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1k5n s ALA 49 N -0.10 0.65 0.40 7.54 0.00 -1.24 -4.69 121.76 124.32 1k5n s ALA 49 Ca 0.00 -0.74 0.11 0.00 0.00 0.00 0.00 51.96 51.33 1k5n s ALA 49 Cb 0.00 0.00 0.81 0.00 0.00 0.00 0.00 23.12 23.94 1k5n s ALA 49 CO 0.00 0.02 1.92 -1.00 0.00 0.00 0.00 175.76 176.70 1k5n h PRO 50 N 4.64 0.18 0.00 0.00 0.13 -1.95 -2.83 132.00 132.17 1k5n h PRO 50 Ca -0.36 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1k5n h PRO 50 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1k5n h PRO 50 CO 0.42 0.34 0.00 -2.67 -0.23 0.00 0.00 178.00 175.86 1k5n n TRP 51 N -4.27 0.88 0.79 1.56 4.27 -1.26 -2.23 117.44 117.18 1k5n n TRP 51 Ca -0.01 0.29 0.12 0.00 -3.89 0.00 0.00 57.50 54.00 1k5n n TRP 51 Cb 0.27 -0.97 0.19 0.00 -1.36 0.00 0.00 31.31 29.44 1k5n n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1k5n n ILE 52 N -2.25 0.14 0.24 -1.67 0.13 -1.07 -4.29 119.36 110.59 1k5n n ILE 52 Ca 0.04 -0.13 0.08 0.00 -1.10 0.00 0.00 62.75 61.64 1k5n n ILE 52 Cb 0.35 0.12 0.59 0.00 -0.84 0.00 0.00 39.64 39.87 1k5n n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1k5n h GLU 53 N 0.00 0.00 0.00 9.51 4.39 -1.51 -1.60 114.58 125.37 1k5n h GLU 53 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k5n h GLU 53 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1k5n h GLU 53 CO 0.00 0.15 0.00 -0.56 -1.16 0.00 0.00 179.01 177.44 1k5n h GLN 54 N 0.00 0.00 -6.99 2.33 3.07 -1.76 -3.44 115.11 108.33 1k5n h GLN 54 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 1k5n h GLN 54 Cb 0.28 0.00 0.12 0.00 0.08 0.00 0.00 27.48 27.96 1k5n h GLN 54 CO 0.02 0.00 0.72 -1.21 0.09 0.00 0.00 178.83 178.44 1k5n s GLU 55 N -3.41 3.72 0.81 0.06 0.41 -0.60 -4.98 118.70 114.71 1k5n s GLU 55 Ca 0.03 2.45 -0.06 0.00 -0.41 0.00 0.00 54.97 56.98 1k5n s GLU 55 Cb 0.09 -2.69 0.16 0.00 -1.78 0.00 0.00 34.13 29.91 1k5n s GLU 55 CO 0.39 -0.80 1.11 0.20 -0.49 0.00 0.00 175.26 175.67 1k5n s GLY 56 N -0.45 1.77 0.41 -1.39 0.00 -1.26 -4.88 107.32 101.52 1k5n s GLY 56 Ca 0.60 -1.59 0.09 0.00 0.00 0.00 0.00 44.72 43.82 1k5n s GLY 56 CO 0.57 -0.94 2.02 -2.55 0.00 0.00 0.00 173.10 172.20 1k5n h PRO 57 N -0.91 0.53 -0.77 2.90 0.11 -1.98 -1.42 132.00 130.46 1k5n h PRO 57 Ca -0.39 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1k5n h PRO 57 Cb 1.25 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1k5n h PRO 57 CO 0.39 0.35 0.42 0.93 -0.21 0.00 0.00 178.00 179.88 1k5n h GLU 58 N 0.54 1.06 0.24 1.05 3.07 -1.99 -0.51 114.58 118.04 1k5n h GLU 58 Ca 0.21 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1k5n h GLU 58 Cb 0.16 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1k5n h GLU 58 CO -0.06 0.77 -0.11 -0.92 -1.40 0.00 0.00 179.01 177.30 1k5n h TYR 59 N 1.07 -0.29 -0.55 4.33 3.20 -1.62 -1.42 116.97 121.69 1k5n h TYR 59 Ca 0.27 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 1k5n h TYR 59 Cb 0.02 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1k5n h TYR 59 CO 0.01 -0.10 0.03 -1.49 -1.64 0.00 0.00 178.16 174.97 1k5n h TRP 60 N -0.42 0.97 -0.27 -3.82 4.06 -1.30 -0.35 115.95 114.81 1k5n h TRP 60 Ca -0.03 -0.14 -0.03 0.00 2.06 0.00 0.00 58.89 60.75 1k5n h TRP 60 Cb 0.32 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 1k5n h TRP 60 CO -0.03 0.86 0.07 -0.44 -3.56 0.00 0.00 178.44 175.34 1k5n h ASP 61 N 0.85 0.41 -0.16 -3.49 3.32 -1.03 -1.26 116.42 115.07 1k5n h ASP 61 Ca 0.16 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1k5n h ASP 61 Cb 0.46 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1k5n h ASP 61 CO 0.02 0.53 0.06 -0.09 -1.72 0.00 0.00 179.24 178.04 1k5n h ARG 62 N 0.27 0.24 -0.85 3.56 2.43 -0.97 -1.35 114.38 117.71 1k5n h ARG 62 Ca 0.09 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1k5n h ARG 62 Cb 0.28 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1k5n h ARG 62 CO 0.00 0.33 0.42 0.93 -1.51 0.00 0.00 179.97 180.14 1k5n h GLU 63 N 0.10 1.22 -0.65 0.20 4.39 -1.08 -1.54 114.58 117.23 1k5n h GLU 63 Ca 0.05 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1k5n h GLU 63 Cb 0.18 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1k5n h GLU 63 CO -0.00 0.93 0.22 1.15 -1.16 0.00 0.00 179.01 180.15 1k5n h THR 64 N 1.21 1.25 -0.75 1.13 2.02 -1.08 -1.33 112.91 115.36 1k5n h THR 64 Ca 0.29 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1k5n h THR 64 Cb 0.10 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1k5n h THR 64 CO -0.04 0.32 0.48 -0.61 0.37 0.00 0.00 175.52 176.04 1k5n h GLN 65 N 0.93 1.00 -0.35 6.66 4.15 -0.78 -0.08 115.11 126.63 1k5n h GLN 65 Ca 0.21 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1k5n h GLN 65 Cb 0.26 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1k5n h GLN 65 CO -0.01 0.68 0.19 0.82 -1.93 0.00 0.00 178.83 178.59 1k5n h ILE 66 N 1.02 1.14 -0.43 2.39 2.04 -0.96 -1.15 117.51 121.56 1k5n h ILE 66 Ca 0.27 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1k5n h ILE 66 Cb -0.09 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1k5n h ILE 66 CO -0.06 0.14 0.22 0.00 0.00 0.00 0.00 178.15 178.46 1k5n h LYS 68 N 0.56 1.17 -0.47 0.00 1.57 -0.86 -0.95 116.57 117.59 1k5n h LYS 68 Ca 0.15 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1k5n h LYS 68 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1k5n h LYS 68 CO -0.02 0.96 -0.01 0.00 -0.57 0.00 0.00 179.45 179.81 1k5n h ALA 69 N 1.15 1.11 -0.35 3.86 0.00 -0.98 -2.62 119.26 121.42 1k5n h ALA 69 Ca 0.26 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1k5n h ALA 69 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1k5n h ALA 69 CO -0.02 0.57 -0.25 -0.22 0.00 0.00 0.00 179.25 179.33 1k5n h LYS 70 N 0.73 0.71 -0.81 0.00 1.63 -0.80 -0.61 116.57 117.42 1k5n h LYS 70 Ca 0.14 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1k5n h LYS 70 Cb 0.45 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 1k5n h LYS 70 CO 0.02 0.89 0.53 0.00 -3.45 0.00 0.00 179.45 177.44 1k5n h ALA 71 N 1.10 1.04 -0.31 5.00 0.00 -0.93 0.30 119.26 125.46 1k5n h ALA 71 Ca 0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1k5n h ALA 71 Cb 0.75 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1k5n h ALA 71 CO 0.06 0.42 -0.27 1.96 0.00 0.00 0.00 179.25 181.42 1k5n h GLN 72 N 1.08 0.73 -0.72 0.00 1.08 -1.09 -2.26 115.11 113.94 1k5n h GLN 72 Ca 0.30 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1k5n h GLN 72 Cb -0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1k5n h GLN 72 CO -0.08 0.99 0.41 1.15 -0.95 0.00 0.00 178.83 180.35 1k5n h THR 73 N 0.49 1.21 -0.73 -0.54 2.02 -0.89 -2.01 112.91 112.47 1k5n h THR 73 Ca 0.06 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.77 1k5n h THR 73 Cb 0.83 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1k5n h THR 73 CO 0.07 0.23 0.49 0.44 0.37 0.00 0.00 175.52 177.11 1k5n h ASP 74 N 0.98 0.80 -0.46 4.18 5.19 -0.84 0.49 116.42 126.76 1k5n h ASP 74 Ca 0.25 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.55 1k5n h ASP 74 Cb -0.00 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 1k5n h ASP 74 CO -0.04 0.56 -0.10 0.03 -3.12 0.00 0.00 179.24 176.56 1k5n h ARG 75 N 0.93 0.88 -0.48 3.56 3.08 -0.77 0.35 114.38 121.93 1k5n h ARG 75 Ca 0.28 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1k5n h ARG 75 Cb -0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1k5n h ARG 75 CO -0.08 0.98 0.27 1.49 -1.07 0.00 0.00 179.97 181.56 1k5n h GLU 76 N 0.72 0.67 -0.75 0.04 4.81 -0.94 -2.48 114.58 116.66 1k5n h GLU 76 Ca 0.12 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1k5n h GLU 76 Cb 0.65 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1k5n h GLU 76 CO 0.04 0.52 0.49 -0.44 -0.73 0.00 0.00 179.01 178.90 1k5n h ASP 77 N 0.64 0.84 -0.80 1.04 3.32 -0.64 -0.39 116.42 120.42 1k5n h ASP 77 Ca 0.17 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1k5n h ASP 77 Cb 0.05 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 1k5n h ASP 77 CO -0.03 0.60 0.40 -0.07 -1.72 0.00 0.00 179.24 178.42 1k5n h LEU 78 N 0.99 1.04 -0.60 1.55 3.38 -0.77 0.36 115.31 121.25 1k5n h LEU 78 Ca 0.28 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1k5n h LEU 78 Cb -0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1k5n h LEU 78 CO -0.07 0.88 0.26 0.03 0.09 0.00 0.00 178.44 179.62 1k5n h ARG 79 N 1.14 0.89 -0.65 1.13 3.08 -0.94 -2.64 114.38 116.39 1k5n h ARG 79 Ca 0.28 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1k5n h ARG 79 Cb 0.10 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1k5n h ARG 79 CO -0.04 0.75 0.37 1.15 -1.07 0.00 0.00 179.97 181.13 1k5n h THR 80 N 0.84 1.20 -0.12 2.04 2.02 -0.52 -2.92 112.91 115.45 1k5n h THR 80 Ca 0.20 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 1k5n h THR 80 Cb 0.18 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1k5n h THR 80 CO -0.02 0.21 -0.34 -0.07 0.37 0.00 0.00 175.52 175.68 1k5n h LEU 81 N 0.88 0.24 -0.73 2.58 3.38 -0.85 -1.04 115.31 119.76 1k5n h LEU 81 Ca 0.23 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1k5n h LEU 81 Cb 0.01 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1k5n h LEU 81 CO -0.04 0.57 0.43 -0.07 0.09 0.00 0.00 178.44 179.42 1k5n h LEU 82 N 0.21 0.66 0.11 1.67 3.38 -1.28 -1.70 115.31 118.35 1k5n h LEU 82 Ca 0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1k5n h LEU 82 Cb 0.70 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1k5n h LEU 82 CO 0.05 0.43 -0.05 0.03 0.09 0.00 0.00 178.44 178.99 1k5n h ARG 83 N 0.79 -0.14 -0.56 1.13 3.08 -1.18 -0.24 114.38 117.26 1k5n h ARG 83 Ca 0.32 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.45 1k5n h ARG 83 Cb 0.17 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1k5n h ARG 83 CO -0.17 -0.02 0.37 1.88 -1.07 0.00 0.00 179.97 180.96 1k5n h TYR 84 N -0.22 0.48 -0.45 3.04 -1.99 -0.86 -2.00 116.97 114.96 1k5n h TYR 84 Ca -0.01 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1k5n h TYR 84 Cb 0.18 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.75 1k5n h TYR 84 CO -0.05 0.25 0.00 0.66 -0.00 0.00 0.00 178.16 179.03 1k5n n TYR 85 N -4.47 0.59 -3.72 4.88 4.01 -0.67 -4.81 117.16 112.97 1k5n n TYR 85 Ca 0.08 -0.32 -0.24 0.00 -0.16 0.00 0.00 57.90 57.26 1k5n n TYR 85 Cb 0.28 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.35 1k5n n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1k5n n ASN 86 N 1.44 -3.35 -4.91 7.72 3.02 -0.75 -4.97 115.26 113.45 1k5n n ASN 86 Ca 0.20 -0.73 -0.28 0.00 -0.03 0.00 0.00 54.58 53.74 1k5n n ASN 86 Cb 0.59 -4.32 -0.04 0.00 -0.61 0.00 0.00 39.78 35.40 1k5n n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1k5n s GLN 87 N -6.16 3.34 0.87 3.52 -0.21 -0.17 -5.04 119.66 115.81 1k5n s GLN 87 Ca 0.32 -0.60 -0.12 0.00 0.02 0.00 0.00 55.36 54.98 1k5n s GLN 87 Cb -0.15 -2.93 0.11 0.00 1.00 0.00 0.00 33.01 31.04 1k5n s GLN 87 CO 0.79 0.54 1.11 -1.54 -2.12 0.00 0.00 175.29 174.07 1k5n s SER 88 N -2.99 3.79 0.00 5.90 1.04 -1.26 -4.74 113.70 115.44 1k5n s SER 88 Ca 0.34 1.24 0.26 0.00 0.48 0.00 0.00 55.95 58.26 1k5n s SER 88 Cb -0.11 -1.91 1.29 0.00 0.10 0.00 0.00 66.02 65.38 1k5n s SER 88 CO 0.27 -2.40 1.86 -0.62 0.98 0.00 0.00 173.24 173.33 1k5n n GLU 89 N -3.70 1.30 0.11 4.02 1.02 -1.26 -4.30 120.64 117.84 1k5n n GLU 89 Ca 0.07 -0.44 0.08 0.00 -0.02 0.00 0.00 57.16 56.85 1k5n n GLU 89 Cb 0.57 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.58 1k5n n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k5n h ALA 90 N 3.99 0.64 -1.96 0.62 0.00 -1.98 -3.44 119.26 117.13 1k5n h ALA 90 Ca 0.00 -0.22 -0.45 0.00 0.00 0.00 0.00 54.91 54.24 1k5n h ALA 90 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1k5n h ALA 90 CO 0.00 0.25 -0.33 0.20 0.00 0.00 0.00 179.25 179.38 1k5n s GLY 91 N -4.43 1.47 0.03 0.00 0.00 -1.26 -4.74 107.32 98.39 1k5n s GLY 91 Ca 0.01 -1.32 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 1k5n s GLY 91 CO 0.77 -1.25 0.77 -0.45 0.00 0.00 0.00 173.10 172.93 1k5n s SER 92 N -4.12 7.20 0.21 1.64 0.15 -1.26 -4.61 113.70 112.91 1k5n s SER 92 Ca 0.42 1.43 0.04 0.00 0.70 0.00 0.00 55.95 58.54 1k5n s SER 92 Cb -0.09 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 1k5n s SER 92 CO 0.32 -0.01 -0.04 -1.00 1.20 0.00 0.00 173.24 173.71 1k5n s HIS 93 N 0.09 1.52 -0.04 3.44 3.76 -1.26 -4.94 115.29 117.86 1k5n s HIS 93 Ca 0.39 -0.86 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 1k5n s HIS 93 Cb -0.20 -0.85 -0.00 0.00 1.11 0.00 0.00 32.58 32.64 1k5n s HIS 93 CO 0.23 0.02 -0.14 0.99 -0.85 0.00 0.00 174.74 174.99 1k5n s THR 94 N -3.36 1.21 -0.11 1.30 2.01 -1.26 -1.23 115.64 114.20 1k5n s THR 94 Ca 0.25 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1k5n s THR 94 Cb 0.05 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.52 1k5n s THR 94 CO 0.07 0.36 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.00 1k5n s LEU 95 N 0.09 1.62 0.06 4.42 2.96 -0.16 -0.88 118.68 126.80 1k5n s LEU 95 Ca -0.04 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 1k5n s LEU 95 Cb -0.10 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 1k5n s LEU 95 CO 0.02 -0.02 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.68 1k5n s GLN 96 N 1.15 1.60 -0.02 1.98 -0.21 -0.26 -1.00 119.66 122.90 1k5n s GLN 96 Ca -0.04 -1.10 -0.00 0.00 0.02 0.00 0.00 55.36 54.24 1k5n s GLN 96 Cb -0.14 -1.81 0.03 0.00 1.00 0.00 0.00 33.01 32.08 1k5n s GLN 96 CO -0.04 0.46 0.04 1.21 -2.12 0.00 0.00 175.29 174.85 1k5n s ASN 97 N -1.37 0.04 -0.06 5.90 3.04 -0.58 -1.22 114.94 120.69 1k5n s ASN 97 Ca 0.11 0.07 0.04 0.00 0.04 0.00 0.00 52.86 53.12 1k5n s ASN 97 Cb -0.10 -0.03 -0.00 0.00 -1.54 0.00 0.00 41.25 39.58 1k5n s ASN 97 CO 0.03 -0.12 -0.20 -0.32 -3.04 0.00 0.00 177.10 173.45 1k5n s MET 98 N 1.01 2.15 0.10 0.43 1.75 -0.46 -0.98 119.30 123.31 1k5n s MET 98 Ca -0.08 -0.70 -0.04 0.00 -1.25 0.00 0.00 55.69 53.62 1k5n s MET 98 Cb -0.12 -1.80 -0.03 0.00 2.84 0.00 0.00 34.83 35.73 1k5n s MET 98 CO -0.03 0.24 0.10 1.52 -0.65 0.00 0.00 175.02 176.20 1k5n s TYR 99 N 0.10 0.53 -5.00 4.11 -0.85 -0.74 -1.16 117.35 114.34 1k5n s TYR 99 Ca -0.07 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.51 1k5n s TYR 99 Cb -0.13 -0.29 0.00 0.00 0.38 0.00 0.00 41.96 41.92 1k5n s TYR 99 CO 0.04 -0.52 0.00 0.41 -1.52 0.00 0.00 175.55 173.96 1k5n n GLY 100 N -0.05 -0.54 2.98 5.49 0.00 -0.74 -1.10 105.19 111.22 1k5n n GLY 100 Ca -0.10 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1k5n n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5n s ASP 102 N -0.79 4.25 0.14 0.00 1.01 0.07 -1.23 116.67 120.12 1k5n s ASP 102 Ca -0.05 -0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.07 1k5n s ASP 102 Cb -0.06 -1.21 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 1k5n s ASP 102 CO -0.00 0.29 -0.11 0.68 0.21 0.00 0.00 175.17 176.24 1k5n s VAL 103 N -0.38 1.18 0.00 -1.27 -7.23 0.08 0.56 120.40 113.35 1k5n s VAL 103 Ca 0.05 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1k5n s VAL 103 Cb -0.12 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.01 1k5n s VAL 103 CO 0.02 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 1k5n n GLY 104 N -0.11 1.65 0.26 2.32 0.00 0.20 -1.39 105.19 108.12 1k5n n GLY 104 Ca -0.11 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 43.67 1k5n n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1k5n h PRO 105 N 0.00 -0.56 0.00 1.61 0.11 -1.85 2.27 132.00 133.58 1k5n h PRO 105 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1k5n h PRO 105 Cb 0.00 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1k5n h PRO 105 CO 0.00 -0.38 0.37 -0.40 -0.21 0.00 0.00 178.00 177.38 1k5n n ASP 106 N -5.34 0.06 0.00 -2.05 5.68 -1.26 -4.48 116.55 109.16 1k5n n ASP 106 Ca -0.11 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1k5n n ASP 106 Cb 0.25 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1k5n n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k5n n GLY 107 N -1.21 0.47 3.78 6.12 0.00 0.76 -5.03 105.19 110.09 1k5n n GLY 107 Ca -0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1k5n n GLY 107 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k5n s ARG 108 N -0.47 4.45 0.11 1.61 6.06 -1.18 -4.50 118.95 125.03 1k5n s ARG 108 Ca 0.00 1.49 -0.35 0.00 -2.50 0.00 0.00 55.73 54.37 1k5n s ARG 108 Cb 0.00 -2.80 -0.15 0.00 0.06 0.00 0.00 34.95 32.06 1k5n s ARG 108 CO 0.00 0.13 1.54 -0.11 -2.50 0.00 0.00 175.30 174.35 1k5n n LEU 109 N 0.49 2.70 -0.09 -0.88 7.94 -1.26 0.62 117.00 126.52 1k5n n LEU 109 Ca 0.02 1.08 -0.18 0.00 -1.11 0.00 0.00 56.01 55.83 1k5n n LEU 109 Cb 0.49 -1.35 -0.13 0.00 0.53 0.00 0.00 43.42 42.96 1k5n n LEU 109 CO 0.47 -0.49 -1.18 0.18 -1.11 0.00 0.00 177.39 175.26 1k5n n LEU 110 N 3.45 2.55 -3.63 -1.96 7.99 0.19 -4.79 117.00 120.81 1k5n n LEU 110 Ca 0.18 -0.03 -0.03 0.00 -0.01 0.00 0.00 56.01 56.12 1k5n n LEU 110 Cb 0.26 -0.79 -0.03 0.00 -0.11 0.00 0.00 43.42 42.75 1k5n n LEU 110 CO 0.64 0.86 1.11 0.00 -1.51 0.00 0.00 177.39 178.50 1k5n s ARG 111 N -2.53 0.13 0.27 3.23 1.70 -1.11 -5.00 118.95 115.64 1k5n s ARG 111 Ca -0.29 -0.02 0.11 0.00 -0.47 0.00 0.00 55.73 55.05 1k5n s ARG 111 Cb 0.08 0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.48 1k5n s ARG 111 CO 0.67 -0.05 -0.09 0.20 -1.08 0.00 0.00 175.30 174.94 1k5n s GLY 112 N -1.73 1.77 0.02 3.88 0.00 -1.26 -0.75 107.32 109.25 1k5n s GLY 112 Ca 0.10 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1k5n s GLY 112 CO -0.04 -1.83 -0.02 -0.19 0.00 0.00 0.00 173.10 171.01 1k5n s TYR 113 N -2.41 0.20 -0.29 1.90 2.02 -0.26 -4.80 117.35 113.71 1k5n s TYR 113 Ca 0.31 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.60 1k5n s TYR 113 Cb -0.06 -0.15 0.18 0.00 -0.40 0.00 0.00 41.96 41.54 1k5n s TYR 113 CO 0.18 -0.14 0.57 -1.58 -1.57 0.00 0.00 175.55 173.00 1k5n s HIS 114 N -1.11 -1.53 0.05 2.71 2.46 -1.26 -1.80 115.29 114.82 1k5n s HIS 114 Ca -0.12 1.53 -0.12 0.00 0.47 0.00 0.00 55.06 56.82 1k5n s HIS 114 Cb -0.08 0.47 0.01 0.00 -0.13 0.00 0.00 32.58 32.85 1k5n s HIS 114 CO -0.01 -0.88 0.25 1.14 -2.47 0.00 0.00 174.74 172.77 1k5n s GLN 115 N 2.81 0.78 0.05 2.88 -2.07 -0.31 -0.86 119.66 122.93 1k5n s GLN 115 Ca 0.19 -0.60 0.02 0.00 -1.82 0.00 0.00 55.36 53.14 1k5n s GLN 115 Cb -0.15 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 1k5n s GLN 115 CO -0.21 -0.24 -0.07 -1.01 -1.32 0.00 0.00 175.29 172.44 1k5n s HIS 116 N -2.72 0.67 0.02 9.60 3.76 -0.02 -1.35 115.29 125.25 1k5n s HIS 116 Ca -0.04 -0.58 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 1k5n s HIS 116 Cb -0.00 -0.40 -0.01 0.00 1.11 0.00 0.00 32.58 33.27 1k5n s HIS 116 CO -0.05 -0.11 -0.08 0.00 -0.85 0.00 0.00 174.74 173.66 1k5n s ALA 117 N -1.78 0.65 -0.12 -1.40 0.00 -0.36 -1.14 121.76 117.60 1k5n s ALA 117 Ca -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1k5n s ALA 117 Cb -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1k5n s ALA 117 CO -0.01 0.10 -0.18 -0.47 0.00 0.00 0.00 175.76 175.20 1k5n s TYR 118 N -0.65 2.27 -1.50 0.00 5.04 -0.27 -1.10 117.35 121.13 1k5n s TYR 118 Ca -0.02 -1.12 -0.13 0.00 -2.44 0.00 0.00 57.07 53.37 1k5n s TYR 118 Cb -0.06 -1.60 0.07 0.00 0.35 0.00 0.00 41.96 40.73 1k5n s TYR 118 CO 0.00 -0.55 1.00 -0.25 -1.34 0.00 0.00 175.55 174.41 1k5n n ASP 119 N 4.19 -4.81 0.00 4.32 8.00 -0.06 -1.77 116.55 126.41 1k5n n ASP 119 Ca -0.19 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1k5n n ASP 119 Cb 0.51 -4.03 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 1k5n n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k5n n GLY 120 N -1.73 0.80 3.48 0.44 0.00 -1.26 -5.00 105.19 101.92 1k5n n GLY 120 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1k5n n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5n s LYS 121 N -0.01 2.49 0.23 1.61 1.02 -0.73 -5.07 119.74 119.28 1k5n s LYS 121 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1k5n s LYS 121 Cb 0.00 -2.38 -0.15 0.00 -0.52 0.00 0.00 37.83 34.78 1k5n s LYS 121 CO 0.00 0.62 1.10 -0.25 -0.92 0.00 0.00 175.35 175.90 1k5n n ASP 122 N 2.24 1.38 0.00 2.83 8.00 -1.26 -1.11 116.55 128.63 1k5n n ASP 122 Ca -0.17 1.16 -0.00 0.00 0.71 0.00 0.00 54.79 56.49 1k5n n ASP 122 Cb 0.52 -1.26 -0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1k5n n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k5n n TYR 123 N 0.90 0.00 -3.83 1.24 9.36 -0.30 -4.66 117.16 119.88 1k5n n TYR 123 Ca 0.12 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.22 1k5n n TYR 123 Cb 0.29 -0.02 -0.12 0.00 -0.63 0.00 0.00 39.34 38.86 1k5n n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1k5n s ILE 124 N -1.20 0.02 -0.02 2.97 2.07 -1.14 -1.01 121.20 122.89 1k5n s ILE 124 Ca -0.01 -0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.09 1k5n s ILE 124 Cb 0.00 -0.29 0.01 0.00 0.13 0.00 0.00 42.46 42.31 1k5n s ILE 124 CO 0.01 -0.09 -0.05 0.00 -1.91 0.00 0.00 174.94 172.91 1k5n s ALA 125 N -0.24 0.54 0.11 1.50 0.00 -0.33 -0.84 121.76 122.50 1k5n s ALA 125 Ca -0.03 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.46 1k5n s ALA 125 Cb -0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 1k5n s ALA 125 CO 0.01 0.07 1.31 -1.17 0.00 0.00 0.00 175.76 175.98 1k5n s LEU 126 N 0.28 4.38 0.85 0.00 2.96 -0.04 -0.71 118.68 126.38 1k5n s LEU 126 Ca -0.03 2.24 -0.12 0.00 -0.22 0.00 0.00 54.13 56.00 1k5n s LEU 126 Cb -0.07 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.13 1k5n s LEU 126 CO -0.00 -0.57 1.10 0.20 -1.32 0.00 0.00 176.35 175.75 1k5n s ASN 127 N 0.96 3.99 0.53 3.68 0.01 0.11 -4.60 114.94 119.62 1k5n s ASN 127 Ca 0.61 1.38 0.22 0.00 -0.71 0.00 0.00 52.86 54.36 1k5n s ASN 127 Cb -0.34 -2.08 1.36 0.00 0.41 0.00 0.00 41.25 40.60 1k5n s ASN 127 CO 0.31 -2.30 2.06 -0.08 -1.51 0.00 0.00 177.10 175.58 1k5n h GLU 128 N -1.32 0.00 0.00 -0.60 4.81 -1.88 -0.30 114.58 115.29 1k5n h GLU 128 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1k5n h GLU 128 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1k5n h GLU 128 CO 0.57 0.00 0.00 0.38 -0.73 0.00 0.00 179.01 179.23 1k5n h ASP 129 N 0.00 0.00 -2.76 1.04 3.04 -1.91 -3.45 116.42 112.39 1k5n h ASP 129 Ca 0.15 0.00 -0.42 0.00 -3.24 0.00 0.00 57.03 53.52 1k5n h ASP 129 Cb 0.61 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.87 1k5n h ASP 129 CO -0.00 0.00 -0.52 0.18 -2.04 0.00 0.00 179.24 176.86 1k5n n LEU 130 N -2.63 -1.90 0.00 0.15 4.77 -0.12 -4.80 117.00 112.46 1k5n n LEU 130 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1k5n n LEU 130 Cb 0.07 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.23 1k5n n LEU 130 CO 0.15 -0.31 0.00 -1.54 -1.33 0.00 0.00 177.39 174.36 1k5n n SER 131 N -1.92 0.00 -4.23 -1.43 3.41 -1.26 -4.43 113.62 103.77 1k5n n SER 131 Ca -0.24 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.24 1k5n n SER 131 Cb 0.69 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.54 1k5n n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k5n s SER 132 N 0.00 0.80 0.12 4.04 1.04 -1.26 -4.89 113.70 113.55 1k5n s SER 132 Ca 0.00 -1.26 0.11 0.00 0.48 0.00 0.00 55.95 55.28 1k5n s SER 132 Cb 0.00 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1k5n s SER 132 CO 0.00 -0.69 -0.26 0.26 0.98 0.00 0.00 173.24 173.53 1k5n s TRP 133 N -3.86 2.27 -0.30 5.02 0.52 -1.26 -0.71 118.94 120.61 1k5n s TRP 133 Ca 0.29 -0.39 -0.06 0.00 0.02 0.00 0.00 56.10 55.97 1k5n s TRP 133 Cb 0.07 -1.24 0.02 0.00 -1.15 0.00 0.00 33.47 31.17 1k5n s TRP 133 CO 0.07 0.31 0.07 0.99 0.02 0.00 0.00 176.95 178.40 1k5n s THR 134 N -1.04 3.81 -0.14 2.01 2.01 0.11 -4.89 115.64 117.51 1k5n s THR 134 Ca 0.13 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 1k5n s THR 134 Cb -0.10 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1k5n s THR 134 CO 0.05 0.05 0.24 0.00 -0.69 0.00 0.00 174.62 174.27 1k5n s ALA 135 N 1.46 3.69 -0.07 7.40 0.00 -1.26 -1.19 121.76 131.80 1k5n s ALA 135 Ca 0.02 -0.52 0.20 0.00 0.00 0.00 0.00 51.96 51.65 1k5n s ALA 135 Cb -0.17 -2.25 0.45 0.00 0.00 0.00 0.00 23.12 21.15 1k5n s ALA 135 CO 0.02 0.27 1.62 0.00 0.00 0.00 0.00 175.76 177.67 1k5n h ALA 136 N 6.05 0.86 -2.86 0.00 0.00 -1.34 -3.47 119.26 118.50 1k5n h ALA 136 Ca -0.46 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.21 1k5n h ALA 136 Cb 1.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1k5n h ALA 136 CO 0.70 0.41 0.34 0.16 0.00 0.00 0.00 179.25 180.86 1k5n s ASP 137 N -6.32 -0.07 0.48 0.00 1.47 -1.26 -5.03 116.67 105.93 1k5n s ASP 137 Ca 0.03 -0.88 0.26 0.00 1.18 0.00 0.00 52.55 53.14 1k5n s ASP 137 Cb 0.08 0.73 1.20 0.00 -0.34 0.00 0.00 42.92 44.59 1k5n s ASP 137 CO 0.69 -1.42 1.95 0.71 0.68 0.00 0.00 175.17 177.78 1k5n h THR 138 N 2.00 0.55 0.05 2.11 1.35 -1.99 -1.68 112.91 115.29 1k5n h THR 138 Ca -0.28 -0.83 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1k5n h THR 138 Cb 1.24 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1k5n h THR 138 CO 0.34 0.17 -0.02 0.00 -0.25 0.00 0.00 175.52 175.76 1k5n h ALA 139 N 1.83 -0.06 0.00 6.62 0.00 -1.97 -3.06 119.26 122.61 1k5n h ALA 139 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1k5n h ALA 139 Cb 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1k5n h ALA 139 CO 0.02 -0.37 -0.08 0.00 0.00 0.00 0.00 179.25 178.82 1k5n h ALA 140 N 0.53 1.67 -0.03 0.00 0.00 -1.76 -0.56 119.26 119.11 1k5n h ALA 140 Ca -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1k5n h ALA 140 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1k5n h ALA 140 CO 0.01 0.10 -0.17 1.96 0.00 0.00 0.00 179.25 181.15 1k5n h GLN 141 N 0.00 0.04 -0.42 0.00 4.20 -1.22 0.92 115.11 118.64 1k5n h GLN 141 Ca -0.00 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1k5n h GLN 141 Cb 0.16 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1k5n h GLN 141 CO 0.01 0.21 -0.00 0.82 -0.67 0.00 0.00 178.83 179.20 1k5n h ILE 142 N 0.04 1.26 -0.42 2.54 1.08 -1.05 -0.63 117.51 120.34 1k5n h ILE 142 Ca 0.01 -1.03 -0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1k5n h ILE 142 Cb 0.33 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1k5n h ILE 142 CO 0.02 0.35 0.25 0.74 -0.69 0.00 0.00 178.15 178.83 1k5n h THR 143 N 0.57 1.13 -0.60 -0.27 2.02 -1.39 -2.49 112.91 111.88 1k5n h THR 143 Ca 0.12 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 67.09 1k5n h THR 143 Cb 0.49 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 1k5n h THR 143 CO 0.02 0.13 0.25 -0.61 0.37 0.00 0.00 175.52 175.68 1k5n h GLN 144 N 0.55 0.44 -0.71 6.66 4.15 -0.56 0.51 115.11 126.16 1k5n h GLN 144 Ca 0.15 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1k5n h GLN 144 Cb -0.01 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 1k5n h GLN 144 CO -0.03 0.29 0.46 0.00 -1.93 0.00 0.00 178.83 177.62 1k5n h ARG 145 N 0.45 0.94 -0.57 1.69 3.08 -0.89 0.10 114.38 119.19 1k5n h ARG 145 Ca 0.29 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 1k5n h ARG 145 Cb 0.32 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1k5n h ARG 145 CO -0.27 0.63 0.11 0.87 -1.07 0.00 0.00 179.97 180.24 1k5n h LYS 146 N 0.96 0.93 0.00 0.04 1.57 -0.89 -1.73 116.57 117.45 1k5n h LYS 146 Ca 0.26 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1k5n h LYS 146 Cb -0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1k5n h LYS 146 CO -0.05 0.88 -0.70 -1.49 -0.57 0.00 0.00 179.45 177.52 1k5n h TRP 147 N 0.83 0.00 -0.44 -1.35 4.06 -0.50 -1.85 115.95 116.70 1k5n h TRP 147 Ca 0.17 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.06 1k5n h TRP 147 Cb 0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 1k5n h TRP 147 CO 0.03 0.70 0.03 0.93 -3.56 0.00 0.00 178.44 176.57 1k5n h GLU 148 N 0.00 0.75 -0.64 0.49 5.08 -0.73 -1.41 114.58 118.12 1k5n h GLU 148 Ca -0.01 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1k5n h GLU 148 Cb 1.25 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1k5n h GLU 148 CO 0.09 0.80 0.27 0.00 -1.00 0.00 0.00 179.01 179.17 1k5n h ALA 149 N 0.92 1.28 -0.13 3.43 0.00 -1.06 -2.35 119.26 121.34 1k5n h ALA 149 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k5n h ALA 149 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1k5n h ALA 149 CO 0.02 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1k5n n ALA 150 N -2.45 2.53 -3.80 0.00 0.00 -0.72 -4.95 120.51 111.13 1k5n n ALA 150 Ca 0.06 -0.52 -0.26 0.00 0.00 0.00 0.00 53.44 52.72 1k5n n ALA 150 Cb 0.16 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1k5n n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k5n n ARG 151 N 0.32 -5.24 -0.21 0.00 1.74 -0.75 -4.89 116.66 107.63 1k5n n ARG 151 Ca 0.17 0.61 -0.09 0.00 -0.77 0.00 0.00 57.85 57.77 1k5n n ARG 151 Cb 0.34 -5.32 0.03 0.00 -1.02 0.00 0.00 32.46 26.49 1k5n n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1k5n h VAL 152 N -1.99 1.27 -0.89 1.55 2.07 -1.57 -3.03 116.25 113.66 1k5n h VAL 152 Ca -0.60 -1.17 0.09 0.00 0.82 0.00 0.00 66.70 65.84 1k5n h VAL 152 Cb 1.37 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 1k5n h VAL 152 CO 0.62 0.43 0.54 0.00 0.02 0.00 0.00 177.57 179.17 1k5n h ALA 153 N 0.99 1.28 -0.91 1.67 0.00 -1.90 -1.47 119.26 118.91 1k5n h ALA 153 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1k5n h ALA 153 Cb 0.58 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1k5n h ALA 153 CO 0.03 0.20 0.55 0.93 0.00 0.00 0.00 179.25 180.96 1k5n h GLU 154 N 0.91 1.24 -0.39 0.00 5.08 -1.77 0.12 114.58 119.76 1k5n h GLU 154 Ca 0.42 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1k5n h GLU 154 Cb 0.33 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1k5n h GLU 154 CO -0.23 0.87 0.18 1.96 -1.00 0.00 0.00 179.01 180.79 1k5n h GLN 155 N 1.26 0.57 -0.47 2.33 4.20 -1.30 -2.04 115.11 119.66 1k5n h GLN 155 Ca 0.33 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 1k5n h GLN 155 Cb -0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1k5n h GLN 155 CO -0.06 0.51 0.14 -0.07 -0.67 0.00 0.00 178.83 178.68 1k5n h LEU 156 N 0.50 0.70 -0.52 1.46 3.38 -0.84 -2.53 115.31 117.46 1k5n h LEU 156 Ca 0.13 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1k5n h LEU 156 Cb 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1k5n h LEU 156 CO -0.02 0.73 0.27 -0.09 0.09 0.00 0.00 178.44 179.42 1k5n h ARG 157 N 0.63 0.51 -0.62 1.13 2.43 -0.66 0.15 114.38 117.95 1k5n h ARG 157 Ca 0.15 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1k5n h ARG 157 Cb 0.29 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1k5n h ARG 157 CO -0.00 0.34 0.41 0.00 -1.51 0.00 0.00 179.97 179.20 1k5n h ALA 158 N 1.27 0.79 -0.18 2.80 0.00 -1.21 -1.09 119.26 121.64 1k5n h ALA 158 Ca 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1k5n h ALA 158 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1k5n h ALA 158 CO -0.15 0.20 -0.07 -0.92 0.00 0.00 0.00 179.25 178.31 1k5n h TYR 159 N 0.82 0.41 -0.39 0.00 3.20 -1.02 -2.57 116.97 117.42 1k5n h TYR 159 Ca 0.23 -0.10 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 1k5n h TYR 159 Cb -0.07 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1k5n h TYR 159 CO -0.04 0.65 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.82 1k5n h LEU 160 N 0.05 0.82 0.00 2.82 3.38 -0.40 0.27 115.31 122.25 1k5n h LEU 160 Ca 0.04 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1k5n h LEU 160 Cb 0.53 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1k5n h LEU 160 CO 0.02 1.03 -0.11 -0.33 0.09 0.00 0.00 178.44 179.14 1k5n h GLU 161 N 0.69 0.00 0.00 1.13 5.08 -1.30 -3.34 114.58 116.85 1k5n h GLU 161 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1k5n h GLU 161 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1k5n h GLU 161 CO 0.06 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 1k5n n GLY 162 N 1.11 0.36 0.29 -3.84 0.00 -0.97 -4.69 105.19 97.46 1k5n n GLY 162 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1k5n n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k5n h GLU 163 N 0.00 0.63 -0.25 1.61 3.07 -1.61 -1.77 114.58 116.26 1k5n h GLU 163 Ca 0.00 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1k5n h GLU 163 Cb 0.00 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 27.73 1k5n h GLU 163 CO 0.00 0.41 0.02 0.00 -1.40 0.00 0.00 179.01 178.05 1k5n h VAL 165 N 0.11 1.41 -0.31 0.00 -1.51 -1.54 -1.86 116.25 112.56 1k5n h VAL 165 Ca 0.11 -2.10 -0.17 0.00 -1.23 0.00 0.00 66.70 63.32 1k5n h VAL 165 Cb 0.13 2.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1k5n h VAL 165 CO -0.17 0.61 -0.47 -0.33 -1.23 0.00 0.00 177.57 175.98 1k5n h GLU 166 N 0.13 0.86 -0.41 5.19 4.39 -0.90 -1.24 114.58 122.60 1k5n h GLU 166 Ca -0.01 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 1k5n h GLU 166 Cb 1.16 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1k5n h GLU 166 CO 0.10 1.15 0.23 -1.49 -1.16 0.00 0.00 179.01 177.83 1k5n h TRP 167 N 0.64 0.57 -0.68 4.33 4.06 -0.77 -1.97 115.95 122.13 1k5n h TRP 167 Ca 0.03 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.99 1k5n h TRP 167 Cb 1.07 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 29.01 1k5n h TRP 167 CO 0.07 0.44 0.43 1.25 -3.56 0.00 0.00 178.44 177.07 1k5n h LEU 168 N 0.54 0.71 -0.37 -4.49 5.85 -1.20 0.23 115.31 116.58 1k5n h LEU 168 Ca 0.15 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1k5n h LEU 168 Cb 0.06 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1k5n h LEU 168 CO -0.02 0.50 0.23 0.08 -0.34 0.00 0.00 178.44 178.88 1k5n h ARG 169 N 0.85 0.45 -0.19 1.25 0.11 -1.05 -0.33 114.38 115.46 1k5n h ARG 169 Ca 0.27 -0.03 0.01 0.00 0.10 0.00 0.00 59.98 60.33 1k5n h ARG 169 Cb -0.01 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 30.96 1k5n h ARG 169 CO -0.10 0.30 0.09 -0.09 0.10 0.00 0.00 179.97 180.27 1k5n h ARG 170 N 0.46 0.19 -0.81 0.08 2.43 -0.68 -2.25 114.38 113.80 1k5n h ARG 170 Ca 0.14 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1k5n h ARG 170 Cb -0.02 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1k5n h ARG 170 CO -0.05 0.13 0.36 1.88 -1.51 0.00 0.00 179.97 180.78 1k5n h TYR 171 N 0.20 1.19 -0.85 2.20 0.05 -0.68 -0.54 116.97 118.54 1k5n h TYR 171 Ca 0.08 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 1k5n h TYR 171 Cb 0.02 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.35 1k5n h TYR 171 CO -0.09 0.88 0.46 -0.07 -1.05 0.00 0.00 178.16 178.29 1k5n h LEU 172 N 1.16 1.07 -0.00 3.88 3.38 -0.89 0.23 115.31 124.14 1k5n h LEU 172 Ca 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1k5n h LEU 172 Cb 0.16 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1k5n h LEU 172 CO -0.03 0.86 -0.00 -0.08 0.09 0.00 0.00 178.44 179.28 1k5n h GLU 173 N 1.19 0.00 -0.19 1.13 4.57 -1.00 -1.89 114.58 118.40 1k5n h GLU 173 Ca 0.30 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1k5n h GLU 173 Cb 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1k5n h GLU 173 CO -0.05 0.47 -0.14 -0.91 -1.18 0.00 0.00 179.01 177.20 1k5n h ASN 174 N -0.46 0.29 -0.76 1.04 2.35 -0.87 -2.46 115.58 114.71 1k5n h ASN 174 Ca 0.00 -0.07 -0.32 0.00 -0.55 0.00 0.00 56.30 55.37 1k5n h ASN 174 Cb 0.47 -0.08 -0.19 0.00 0.05 0.00 0.00 38.32 38.57 1k5n h ASN 174 CO 0.00 0.46 0.36 0.61 -1.65 0.00 0.00 177.43 177.21 1k5n n GLY 175 N -0.78 4.18 0.29 2.83 0.00 0.80 -4.72 105.19 107.80 1k5n n GLY 175 Ca -0.00 -1.07 0.16 0.00 0.00 0.00 0.00 46.02 45.11 1k5n n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1k5n h LYS 176 N 1.75 0.00 -0.67 1.61 2.10 -0.84 0.37 116.57 120.90 1k5n h LYS 176 Ca 0.39 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.01 1k5n h LYS 176 Cb 2.41 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.71 1k5n h LYS 176 CO 0.81 0.05 0.29 1.49 -2.00 0.00 0.00 179.45 180.09 1k5n h GLU 177 N 0.00 0.96 0.00 0.07 4.81 -1.86 -3.25 114.58 115.31 1k5n h GLU 177 Ca -0.00 -0.14 -0.22 0.00 -0.13 0.00 0.00 59.36 58.87 1k5n h GLU 177 Cb 0.20 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1k5n h GLU 177 CO 0.01 0.77 -1.72 0.25 -0.73 0.00 0.00 179.01 177.58 1k5n n THR 178 N -4.32 0.74 0.24 0.32 -2.24 -0.73 -4.35 114.28 103.95 1k5n n THR 178 Ca 0.06 -0.18 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1k5n n THR 178 Cb 0.15 -1.69 0.60 0.00 -2.10 0.00 0.00 70.33 67.29 1k5n n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1k5n h LEU 179 N -0.48 0.00 -3.52 3.22 3.38 -1.15 -2.33 115.31 114.42 1k5n h LEU 179 Ca -0.33 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 1k5n h LEU 179 Cb 1.28 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 1k5n h LEU 179 CO -0.20 0.10 0.12 0.00 0.09 0.00 0.00 178.44 178.55 1k5n n GLN 180 N -4.32 3.21 -4.62 1.13 6.02 -1.23 -4.88 117.38 112.69 1k5n n GLN 180 Ca -0.03 -3.04 -0.33 0.00 -0.01 0.00 0.00 57.00 53.60 1k5n n GLN 180 Cb 0.18 -2.04 -0.16 0.00 1.02 0.00 0.00 30.24 29.24 1k5n n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1k5n s ARG 181 N -2.98 3.11 -0.12 -1.09 3.52 -0.88 -4.99 118.95 115.52 1k5n s ARG 181 Ca 0.50 -0.81 -0.14 0.00 -0.13 0.00 0.00 55.73 55.15 1k5n s ARG 181 Cb 0.40 -2.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.23 1k5n s ARG 181 CO 0.10 0.00 0.33 0.00 -0.81 0.00 0.00 175.30 174.92 1k5n s ALA 182 N 0.80 3.61 -0.31 6.12 0.00 -1.26 -4.76 121.76 125.96 1k5n s ALA 182 Ca -0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 1k5n s ALA 182 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1k5n s ALA 182 CO -0.01 0.19 0.18 -0.51 0.00 0.00 0.00 175.76 175.61 1k5n s ASP 183 N 0.09 5.76 0.73 0.00 1.01 0.10 -4.82 116.67 119.53 1k5n s ASP 183 Ca 0.19 -0.40 -0.12 0.00 0.71 0.00 0.00 52.55 52.93 1k5n s ASP 183 Cb -0.14 -2.06 0.03 0.00 1.01 0.00 0.00 42.92 41.76 1k5n s ASP 183 CO 0.07 -0.18 1.09 -2.16 0.21 0.00 0.00 175.17 174.20 1k5n s PRO 184 N 1.67 2.52 0.38 8.23 0.04 -1.26 -1.28 135.00 145.29 1k5n s PRO 184 Ca 0.06 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 1k5n s PRO 184 Cb -0.17 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1k5n s PRO 184 CO 0.08 -1.45 1.20 -1.25 0.04 0.00 0.00 177.00 175.63 1k5n s PRO 185 N -4.65 4.16 -0.23 0.56 0.04 -1.26 -4.32 135.00 129.30 1k5n s PRO 185 Ca 0.63 1.94 -0.20 0.00 0.04 0.00 0.00 61.00 63.41 1k5n s PRO 185 Cb -0.18 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 1k5n s PRO 185 CO 0.51 -0.26 0.61 0.15 0.04 0.00 0.00 177.00 178.04 1k5n s LYS 186 N -2.11 4.14 0.06 4.56 1.02 0.35 -4.86 119.74 122.90 1k5n s LYS 186 Ca 0.54 0.53 0.09 0.00 0.02 0.00 0.00 55.97 57.15 1k5n s LYS 186 Cb -0.33 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1k5n s LYS 186 CO 0.43 -0.33 -0.25 0.95 -0.92 0.00 0.00 175.35 175.23 1k5n s THR 187 N 2.22 2.01 0.18 2.17 -4.23 -1.26 -1.12 115.64 115.61 1k5n s THR 187 Ca 0.26 -1.40 -0.23 0.00 -1.18 0.00 0.00 61.69 59.14 1k5n s THR 187 Cb -0.16 -1.74 0.06 0.00 1.34 0.00 0.00 72.50 72.00 1k5n s THR 187 CO 0.09 0.27 0.68 -1.38 -0.54 0.00 0.00 174.62 173.74 1k5n s HIS 188 N -0.86 -0.39 -0.11 3.99 -3.43 -1.08 -5.00 115.29 108.41 1k5n s HIS 188 Ca 0.11 0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.50 1k5n s HIS 188 Cb -0.10 0.61 -0.01 0.00 -1.43 0.00 0.00 32.58 31.65 1k5n s HIS 188 CO 0.03 -0.94 -0.19 0.08 -2.00 0.00 0.00 174.74 171.71 1k5n s VAL 189 N -3.72 2.47 0.26 -5.38 1.01 -1.26 -0.92 120.40 112.87 1k5n s VAL 189 Ca 0.05 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.26 1k5n s VAL 189 Cb -0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1k5n s VAL 189 CO -0.06 0.55 -0.05 0.42 0.00 0.00 0.00 175.10 175.96 1k5n s THR 190 N 0.31 3.24 -0.07 3.92 -4.23 -0.05 -4.73 115.64 114.03 1k5n s THR 190 Ca -0.15 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1k5n s THR 190 Cb -0.17 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 70.96 1k5n s THR 190 CO 0.07 -0.36 -0.13 -2.28 -0.54 0.00 0.00 174.62 171.38 1k5n s HIS 191 N -2.32 1.55 -0.33 3.99 2.46 -1.26 -1.33 115.29 118.05 1k5n s HIS 191 Ca 0.31 -0.59 -0.01 0.00 0.47 0.00 0.00 55.06 55.24 1k5n s HIS 191 Cb -0.06 -1.13 0.11 0.00 -0.13 0.00 0.00 32.58 31.37 1k5n s HIS 191 CO 0.19 -0.30 0.16 -1.01 -2.47 0.00 0.00 174.74 171.30 1k5n s HIS 192 N 0.68 1.00 0.19 3.88 3.76 0.06 -4.97 115.29 119.90 1k5n s HIS 192 Ca -0.14 -1.49 -0.32 0.00 -0.15 0.00 0.00 55.06 52.95 1k5n s HIS 192 Cb -0.16 -1.24 -0.15 0.00 1.11 0.00 0.00 32.58 32.14 1k5n s HIS 192 CO 0.04 -0.84 1.23 -2.30 -0.85 0.00 0.00 174.74 172.02 1k5n n PRO 193 N 4.62 1.42 -0.11 8.40 -0.02 -1.26 -0.67 135.00 147.37 1k5n n PRO 193 Ca 0.02 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.81 1k5n n PRO 193 Cb 0.40 -2.05 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1k5n n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1k5n n ILE 194 N 1.61 1.22 -3.51 4.25 5.41 -0.58 -4.83 119.36 122.92 1k5n n ILE 194 Ca 0.14 -0.39 -0.06 0.00 1.00 0.00 0.00 62.75 63.44 1k5n n ILE 194 Cb 0.27 -1.50 0.01 0.00 -0.71 0.00 0.00 39.64 37.71 1k5n n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1k5n n SER 195 N -3.53 -1.34 0.31 4.38 3.41 -1.07 -5.01 113.62 110.78 1k5n n SER 195 Ca -0.40 -1.98 0.19 0.00 -0.26 0.00 0.00 58.87 56.42 1k5n n SER 195 Cb 0.86 2.24 1.04 0.00 -0.26 0.00 0.00 64.21 68.10 1k5n n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1k5n h ASP 196 N 1.19 0.00 0.00 4.04 3.32 -2.04 -3.23 116.42 119.71 1k5n h ASP 196 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1k5n h ASP 196 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1k5n h ASP 196 CO 0.25 0.01 -1.36 1.41 -1.72 0.00 0.00 179.24 177.83 1k5n n HIS 197 N -3.42 0.00 -3.53 4.55 8.25 -1.26 -4.81 115.22 115.00 1k5n n HIS 197 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 1k5n n HIS 197 Cb 0.10 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1k5n n HIS 197 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1k5n s GLU 198 N -3.16 1.10 0.03 -0.41 -1.05 -1.22 -1.51 118.70 112.48 1k5n s GLU 198 Ca 0.02 -0.45 -0.12 0.00 -0.15 0.00 0.00 54.97 54.27 1k5n s GLU 198 Cb 0.15 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.33 1k5n s GLU 198 CO 0.87 -0.49 0.25 0.00 0.95 0.00 0.00 175.26 176.84 1k5n s ALA 199 N -3.43 -0.53 0.05 -0.84 0.00 -0.58 -1.53 121.76 114.91 1k5n s ALA 199 Ca 0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 1k5n s ALA 199 Cb -0.01 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 23.32 1k5n s ALA 199 CO -0.08 -0.37 0.77 0.99 0.00 0.00 0.00 175.76 177.07 1k5n s THR 200 N -2.39 4.70 -0.20 0.00 2.01 0.15 -0.39 115.64 119.52 1k5n s THR 200 Ca -0.06 1.64 -0.08 0.00 0.31 0.00 0.00 61.69 63.49 1k5n s THR 200 Cb -0.02 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1k5n s THR 200 CO -0.03 0.38 0.09 -0.76 -0.69 0.00 0.00 174.62 173.61 1k5n s LEU 201 N -0.14 3.93 -0.15 4.42 1.43 -0.37 -0.76 118.68 127.04 1k5n s LEU 201 Ca 0.38 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1k5n s LEU 201 Cb -0.21 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1k5n s LEU 201 CO 0.23 0.16 -0.20 -0.60 0.23 0.00 0.00 176.35 176.16 1k5n s ARG 202 N 0.49 2.89 -0.26 1.70 3.52 -0.45 -1.39 118.95 125.46 1k5n s ARG 202 Ca 0.05 -0.80 -0.09 0.00 -0.13 0.00 0.00 55.73 54.75 1k5n s ARG 202 Cb -0.12 -2.40 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 1k5n s ARG 202 CO 0.00 -0.08 0.13 0.00 -0.81 0.00 0.00 175.30 174.54 1k5n s TRP 204 N 1.51 3.13 -0.14 0.00 0.52 -0.10 -1.50 118.94 122.36 1k5n s TRP 204 Ca 0.06 0.16 -0.00 0.00 0.02 0.00 0.00 56.10 56.34 1k5n s TRP 204 Cb -0.15 -1.76 0.03 0.00 -1.15 0.00 0.00 33.47 30.44 1k5n s TRP 204 CO 0.07 0.46 -0.09 0.00 0.02 0.00 0.00 176.95 177.41 1k5n s ALA 205 N -0.93 1.54 0.09 0.98 0.00 -0.35 -2.63 121.76 120.47 1k5n s ALA 205 Ca 0.15 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1k5n s ALA 205 Cb -0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1k5n s ALA 205 CO 0.04 -0.49 -0.14 -0.51 0.00 0.00 0.00 175.76 174.66 1k5n s LEU 206 N 1.62 2.34 -0.62 0.00 1.43 -0.28 -1.30 118.68 121.87 1k5n s LEU 206 Ca 0.04 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1k5n s LEU 206 Cb -0.13 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1k5n s LEU 206 CO -0.09 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1k5n n GLY 207 N 0.91 0.69 3.94 -3.19 0.00 -0.89 -0.50 105.19 106.16 1k5n n GLY 207 Ca -0.18 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 1k5n n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k5n s PHE 208 N -2.25 3.48 -0.20 1.61 -0.71 -1.07 -4.66 117.98 114.18 1k5n s PHE 208 Ca 0.00 0.10 -0.14 0.00 -1.04 0.00 0.00 56.93 55.86 1k5n s PHE 208 Cb 0.00 -1.66 0.06 0.00 -1.21 0.00 0.00 43.02 40.21 1k5n s PHE 208 CO 0.00 0.51 0.50 -0.47 -1.34 0.00 0.00 175.22 174.42 1k5n s TYR 209 N -1.76 -0.68 0.97 3.49 5.04 -0.40 -0.56 117.35 123.45 1k5n s TYR 209 Ca 0.34 1.49 -0.16 0.00 -2.44 0.00 0.00 57.07 56.30 1k5n s TYR 209 Cb -0.11 0.32 0.23 0.00 0.35 0.00 0.00 41.96 42.75 1k5n s TYR 209 CO 0.28 -0.36 1.05 -0.35 -1.34 0.00 0.00 175.55 174.84 1k5n n PRO 210 N 3.76 -2.09 0.14 4.97 -0.04 -1.26 -0.73 135.00 139.76 1k5n n PRO 210 Ca -0.19 -1.65 -0.00 0.00 -0.04 0.00 0.00 63.50 61.62 1k5n n PRO 210 Cb 0.56 -1.32 0.25 0.00 -0.04 0.00 0.00 33.50 32.95 1k5n n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k5n h ALA 211 N -2.27 1.16 -2.39 0.55 0.00 -1.95 -3.45 119.26 110.91 1k5n h ALA 211 Ca -0.37 -0.43 -0.56 0.00 0.00 0.00 0.00 54.91 53.55 1k5n h ALA 211 Cb 1.07 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 18.83 1k5n h ALA 211 CO 0.25 0.60 0.89 -1.91 0.00 0.00 0.00 179.25 179.08 1k5n n GLU 212 N -3.98 2.37 -3.51 0.00 4.07 -1.26 -4.97 120.64 113.36 1k5n n GLU 212 Ca -0.02 0.86 -0.15 0.00 -0.06 0.00 0.00 57.16 57.79 1k5n n GLU 212 Cb 0.50 -2.66 -0.05 0.00 -0.06 0.00 0.00 31.44 29.17 1k5n n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1k5n s ILE 213 N 1.17 0.01 -0.09 6.31 2.07 -1.26 -4.65 121.20 124.76 1k5n s ILE 213 Ca 0.78 -0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.97 1k5n s ILE 213 Cb -0.62 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 40.99 1k5n s ILE 213 CO 0.36 -0.05 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.25 1k5n s THR 214 N -2.35 1.78 -0.08 4.00 2.01 -0.59 -5.00 115.64 115.41 1k5n s THR 214 Ca -0.06 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 1k5n s THR 214 Cb -0.01 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.99 1k5n s THR 214 CO -0.01 0.50 0.03 -0.22 -0.69 0.00 0.00 174.62 174.23 1k5n s LEU 215 N 0.42 0.46 0.05 4.42 2.96 -1.26 -1.37 118.68 124.37 1k5n s LEU 215 Ca -0.17 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1k5n s LEU 215 Cb -0.17 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 1k5n s LEU 215 CO 0.07 -0.23 0.02 0.42 -1.32 0.00 0.00 176.35 175.31 1k5n s THR 216 N 2.04 0.19 -0.06 3.68 -4.23 -0.67 -4.93 115.64 111.66 1k5n s THR 216 Ca 0.04 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1k5n s THR 216 Cb -0.13 -1.31 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 1k5n s THR 216 CO -0.05 -0.85 -0.09 0.26 -0.54 0.00 0.00 174.62 173.35 1k5n s TRP 217 N -3.55 2.88 0.20 3.99 0.52 -1.26 -0.47 118.94 121.25 1k5n s TRP 217 Ca 0.03 -0.03 0.11 0.00 0.02 0.00 0.00 56.10 56.24 1k5n s TRP 217 Cb 0.05 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1k5n s TRP 217 CO -0.09 0.29 -0.21 -0.65 0.02 0.00 0.00 176.95 176.31 1k5n s GLN 218 N -0.77 1.63 -0.10 4.98 -0.21 0.14 -1.39 119.66 123.94 1k5n s GLN 218 Ca 0.12 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.01 1k5n s GLN 218 Cb -0.11 -1.90 0.02 0.00 1.00 0.00 0.00 33.01 32.02 1k5n s GLN 218 CO 0.01 0.40 -0.09 0.50 -2.12 0.00 0.00 175.29 173.99 1k5n s ARG 219 N -2.75 1.59 -1.34 2.91 3.52 -0.22 -1.03 118.95 121.63 1k5n s ARG 219 Ca 0.22 -0.30 -0.05 0.00 -0.13 0.00 0.00 55.73 55.47 1k5n s ARG 219 Cb -0.08 -1.55 0.03 0.00 -1.56 0.00 0.00 34.95 31.78 1k5n s ARG 219 CO 0.11 -0.19 0.34 -0.25 -0.81 0.00 0.00 175.30 174.50 1k5n n ASP 220 N 4.65 -4.63 0.00 -2.12 8.00 -0.31 -1.15 116.55 120.99 1k5n n ASP 220 Ca -0.15 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1k5n n ASP 220 Cb 0.50 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 1k5n n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k5n n GLY 221 N -1.15 0.57 3.56 0.44 0.00 -1.26 -5.03 105.19 102.31 1k5n n GLY 221 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1k5n n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k5n s GLU 222 N -0.14 3.82 0.28 1.61 0.41 -0.30 -5.03 118.70 119.35 1k5n s GLU 222 Ca 0.00 -0.43 -0.30 0.00 -0.41 0.00 0.00 54.97 53.83 1k5n s GLU 222 Cb 0.00 -3.08 -0.13 0.00 -1.78 0.00 0.00 34.13 29.14 1k5n s GLU 222 CO 0.00 0.23 1.40 -0.25 -0.49 0.00 0.00 175.26 176.15 1k5n n ASP 223 N 3.61 2.93 -2.27 -0.19 8.00 -1.26 -1.05 116.55 126.31 1k5n n ASP 223 Ca -0.17 1.16 -0.32 0.00 0.71 0.00 0.00 54.79 56.17 1k5n n ASP 223 Cb 0.52 -1.47 0.06 0.00 -0.02 0.00 0.00 41.12 40.21 1k5n n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k5n n GLN 224 N 1.56 2.93 -0.09 -1.24 1.13 -0.49 -4.84 117.38 116.34 1k5n n GLN 224 Ca 0.09 -3.53 -0.07 0.00 -1.94 0.00 0.00 57.00 51.55 1k5n n GLN 224 Cb 0.34 -2.29 0.00 0.00 0.11 0.00 0.00 30.24 28.41 1k5n n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1k5n h THR 225 N 1.34 0.91 0.00 5.09 2.02 -1.91 -0.98 112.91 119.38 1k5n h THR 225 Ca 0.55 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.62 1k5n h THR 225 Cb 0.97 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1k5n h THR 225 CO 1.38 0.04 -0.12 -0.61 0.37 0.00 0.00 175.52 176.58 1k5n h GLN 226 N 0.25 0.00 -0.43 6.66 5.75 -2.00 -2.75 115.11 122.59 1k5n h GLN 226 Ca 0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1k5n h GLN 226 Cb 0.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1k5n h GLN 226 CO -0.15 0.12 0.00 -0.25 -2.65 0.00 0.00 178.83 175.91 1k5n n ASP 227 N -3.48 3.44 -4.74 -0.69 8.00 -0.45 -4.92 116.55 113.72 1k5n n ASP 227 Ca -0.01 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 53.17 1k5n n ASP 227 Cb 0.28 -0.28 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1k5n n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k5n s THR 228 N -1.33 5.23 -0.38 -3.53 2.01 -0.71 -4.54 115.64 112.39 1k5n s THR 228 Ca 0.38 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 1k5n s THR 228 Cb 0.22 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.39 1k5n s THR 228 CO 0.30 0.49 0.68 -0.70 -0.69 0.00 0.00 174.62 174.70 1k5n s GLU 229 N 0.02 3.59 -0.29 4.92 2.12 0.24 -4.92 118.70 124.37 1k5n s GLU 229 Ca 0.08 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 1k5n s GLU 229 Cb -0.12 -3.85 0.04 0.00 0.26 0.00 0.00 34.13 30.47 1k5n s GLU 229 CO -0.00 -0.85 -0.00 -1.17 -0.54 0.00 0.00 175.26 172.70 1k5n s LEU 230 N 2.88 3.79 0.54 2.70 2.96 -1.26 -0.75 118.68 129.53 1k5n s LEU 230 Ca 0.26 -1.16 -0.15 0.00 -0.22 0.00 0.00 54.13 52.86 1k5n s LEU 230 Cb -0.14 -1.72 -0.07 0.00 0.50 0.00 0.00 46.19 44.76 1k5n s LEU 230 CO 0.17 -0.24 1.00 0.68 -1.32 0.00 0.00 176.35 176.64 1k5n s VAL 231 N 1.29 4.57 0.40 1.68 -7.23 -1.02 -5.00 120.40 115.09 1k5n s VAL 231 Ca -0.04 1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 61.00 1k5n s VAL 231 Cb -0.19 -3.75 -0.09 0.00 0.56 0.00 0.00 36.38 32.91 1k5n s VAL 231 CO -0.01 -0.79 1.37 -0.70 -0.31 0.00 0.00 175.10 174.66 1k5n s GLU 232 N -4.33 3.97 0.28 4.82 2.12 -1.26 -4.65 118.70 119.65 1k5n s GLU 232 Ca 0.58 2.32 -0.30 0.00 0.36 0.00 0.00 54.97 57.93 1k5n s GLU 232 Cb -0.10 -2.81 -0.12 0.00 0.26 0.00 0.00 34.13 31.36 1k5n s GLU 232 CO 0.37 -0.55 1.59 2.41 -0.54 0.00 0.00 175.26 178.53 1k5n n THR 233 N 0.19 0.92 -4.23 -1.70 -1.04 -1.26 -4.83 114.28 102.33 1k5n n THR 233 Ca 0.03 -0.23 -0.17 0.00 -2.04 0.00 0.00 64.05 61.64 1k5n n THR 233 Cb 0.42 -1.92 -0.13 0.00 -1.82 0.00 0.00 70.33 66.88 1k5n n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k5n s ARG 234 N -0.35 0.69 0.18 -2.82 1.70 -0.52 -4.96 118.95 112.88 1k5n s ARG 234 Ca 0.65 -0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 55.01 1k5n s ARG 234 Cb -0.51 -0.62 -0.08 0.00 -0.57 0.00 0.00 34.95 33.17 1k5n s ARG 234 CO 0.47 0.15 1.05 -1.25 -1.08 0.00 0.00 175.30 174.64 1k5n s PRO 235 N -0.98 4.66 0.25 3.89 0.04 -1.26 -0.97 135.00 140.64 1k5n s PRO 235 Ca -0.02 1.64 0.17 0.00 0.04 0.00 0.00 61.00 62.84 1k5n s PRO 235 Cb -0.07 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.24 1k5n s PRO 235 CO 0.01 0.18 1.31 0.00 0.04 0.00 0.00 177.00 178.53 1k5n h ALA 236 N 4.93 0.70 0.00 8.56 0.00 -1.29 -3.47 119.26 128.69 1k5n h ALA 236 Ca -0.44 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1k5n h ALA 236 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1k5n h ALA 236 CO 0.71 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.90 1k5n n GLY 237 N 1.24 0.28 0.69 0.00 0.00 -1.26 -4.95 105.19 101.19 1k5n n GLY 237 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1k5n n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k5n n ASP 238 N 0.00 2.81 0.00 1.61 5.68 -1.26 -4.94 116.55 120.45 1k5n n ASP 238 Ca 0.00 -3.35 0.00 0.00 -0.50 0.00 0.00 54.79 50.94 1k5n n ASP 238 Cb 0.00 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 1k5n n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1k5n n ARG 239 N -1.01 0.00 -2.38 0.11 1.85 -1.26 -5.04 116.66 108.93 1k5n n ARG 239 Ca 0.23 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.83 1k5n n ARG 239 Cb 0.83 -0.06 0.07 0.00 -1.05 0.00 0.00 32.46 32.25 1k5n n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1k5n s THR 240 N -2.03 2.37 0.30 8.89 -4.23 -1.26 -4.88 115.64 114.81 1k5n s THR 240 Ca 0.00 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1k5n s THR 240 Cb 0.00 -2.95 -0.06 0.00 1.34 0.00 0.00 72.50 70.83 1k5n s THR 240 CO 0.00 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.66 1k5n s PHE 241 N -3.10 2.09 0.04 3.99 0.08 0.28 -0.81 117.98 120.55 1k5n s PHE 241 Ca 0.60 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1k5n s PHE 241 Cb -0.10 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 1k5n s PHE 241 CO 0.43 0.35 -0.05 -0.65 -0.10 0.00 0.00 175.22 175.20 1k5n s GLN 242 N -3.70 0.51 0.05 0.44 -0.21 -0.14 -2.10 119.66 114.51 1k5n s GLN 242 Ca 0.31 -0.89 -0.24 0.00 0.02 0.00 0.00 55.36 54.56 1k5n s GLN 242 Cb 0.04 -0.03 0.06 0.00 1.00 0.00 0.00 33.01 34.08 1k5n s GLN 242 CO 0.13 -0.03 0.56 0.21 -2.12 0.00 0.00 175.29 174.05 1k5n s LYS 243 N -2.37 1.09 0.08 2.91 2.20 -0.42 -1.44 119.74 121.79 1k5n s LYS 243 Ca -0.05 -0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.32 1k5n s LYS 243 Cb -0.04 0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 1k5n s LYS 243 CO -0.03 -0.40 0.09 1.67 -0.36 0.00 0.00 175.35 176.32 1k5n s TRP 244 N -2.47 0.36 -0.03 4.03 1.48 -1.26 -1.21 118.94 119.84 1k5n s TRP 244 Ca -0.05 -0.84 0.02 0.00 -1.06 0.00 0.00 56.10 54.17 1k5n s TRP 244 Cb -0.01 -0.23 0.01 0.00 -1.16 0.00 0.00 33.47 32.09 1k5n s TRP 244 CO -0.02 -0.48 -0.07 0.00 -4.06 0.00 0.00 176.95 172.32 1k5n s ALA 245 N -3.90 0.76 0.03 2.67 0.00 -0.56 -2.43 121.76 118.32 1k5n s ALA 245 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1k5n s ALA 245 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1k5n s ALA 245 CO -0.09 0.08 -0.11 0.00 0.00 0.00 0.00 175.76 175.64 1k5n s ALA 246 N 0.45 0.92 0.07 0.00 0.00 0.07 -0.60 121.76 122.66 1k5n s ALA 246 Ca -0.07 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1k5n s ALA 246 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1k5n s ALA 246 CO 0.01 0.15 -0.14 0.14 0.00 0.00 0.00 175.76 175.92 1k5n s VAL 247 N -0.81 1.06 -0.30 0.00 -7.23 -0.48 -0.59 120.40 112.05 1k5n s VAL 247 Ca -0.01 -1.28 -0.18 0.00 -1.81 0.00 0.00 61.98 58.71 1k5n s VAL 247 Cb -0.07 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.82 1k5n s VAL 247 CO 0.01 -0.23 0.51 -0.69 -0.31 0.00 0.00 175.10 174.39 1k5n s VAL 248 N -1.27 5.05 -0.21 1.32 1.01 -1.26 -1.24 120.40 123.80 1k5n s VAL 248 Ca -0.03 0.64 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1k5n s VAL 248 Cb -0.10 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1k5n s VAL 248 CO 0.02 -0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.31 1k5n s VAL 249 N 2.35 3.12 0.67 2.92 1.01 0.48 -4.94 120.40 125.99 1k5n s VAL 249 Ca 0.20 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1k5n s VAL 249 Cb -0.15 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1k5n s VAL 249 CO 0.11 0.45 1.28 -2.84 0.00 0.00 0.00 175.10 174.10 1k5n s PRO 250 N 1.40 2.43 0.19 2.72 0.02 -1.26 -1.52 135.00 138.98 1k5n s PRO 250 Ca 0.05 2.00 -0.32 0.00 0.02 0.00 0.00 61.00 62.75 1k5n s PRO 250 Cb -0.14 -1.84 -0.15 0.00 0.02 0.00 0.00 34.50 32.39 1k5n s PRO 250 CO -0.05 -1.67 1.23 0.43 -0.33 0.00 0.00 177.00 176.61 1k5n n SER 251 N -2.11 1.71 0.00 2.53 7.64 -0.57 -1.83 113.62 120.99 1k5n n SER 251 Ca 0.15 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1k5n n SER 251 Cb 0.49 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1k5n n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k5n n GLY 252 N 2.06 1.39 0.45 0.23 0.00 -1.26 -4.90 105.19 103.16 1k5n n GLY 252 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1k5n n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k5n n GLU 253 N -2.00 1.42 -0.34 1.61 1.02 -0.76 -4.66 120.64 116.94 1k5n n GLU 253 Ca 0.00 -0.90 0.09 0.00 -0.02 0.00 0.00 57.16 56.32 1k5n n GLU 253 Cb 0.00 -1.48 0.28 0.00 -0.02 0.00 0.00 31.44 30.22 1k5n n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1k5n h GLU 254 N 2.21 0.88 0.00 3.49 3.07 -1.91 -0.68 114.58 121.65 1k5n h GLU 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1k5n h GLU 254 Cb 0.57 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1k5n h GLU 254 CO 0.00 0.58 0.00 1.04 -1.40 0.00 0.00 179.01 179.23 1k5n n GLN 255 N -4.60 0.01 0.09 2.33 1.13 -1.26 -2.20 117.38 112.87 1k5n n GLN 255 Ca 0.19 0.12 0.13 0.00 -1.94 0.00 0.00 57.00 55.50 1k5n n GLN 255 Cb 0.39 -1.50 0.44 0.00 0.11 0.00 0.00 30.24 29.68 1k5n n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1k5n n ARG 256 N -1.49 0.21 -3.77 -1.09 1.74 -0.26 -4.81 116.66 107.19 1k5n n ARG 256 Ca 0.05 0.22 -0.36 0.00 -0.77 0.00 0.00 57.85 57.00 1k5n n ARG 256 Cb 0.25 -1.77 -0.07 0.00 -1.02 0.00 0.00 32.46 29.85 1k5n n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1k5n s TYR 257 N -3.12 3.48 -0.02 -1.55 1.51 -0.94 -1.16 117.35 115.55 1k5n s TYR 257 Ca 0.10 0.41 0.03 0.00 -1.01 0.00 0.00 57.07 56.61 1k5n s TYR 257 Cb 0.13 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 1k5n s TYR 257 CO 0.55 0.44 -0.12 0.95 -1.11 0.00 0.00 175.55 176.26 1k5n s THR 258 N -0.11 0.98 -0.14 -0.71 -4.23 -0.20 -4.65 115.64 106.58 1k5n s THR 258 Ca 0.11 -0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 60.05 1k5n s THR 258 Cb -0.11 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1k5n s THR 258 CO 0.00 0.29 0.11 0.00 -0.54 0.00 0.00 174.62 174.48 1k5n s HIS 260 N -0.61 2.26 -0.08 0.00 3.76 0.38 -0.75 115.29 120.25 1k5n s HIS 260 Ca 0.12 -0.98 0.02 0.00 -0.15 0.00 0.00 55.06 54.08 1k5n s HIS 260 Cb -0.12 -1.55 0.01 0.00 1.11 0.00 0.00 32.58 32.04 1k5n s HIS 260 CO 0.02 -0.43 -0.13 0.08 -0.85 0.00 0.00 174.74 173.43 1k5n s VAL 261 N 0.60 1.23 -0.06 -0.90 1.01 -0.60 -1.67 120.40 120.02 1k5n s VAL 261 Ca -0.14 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1k5n s VAL 261 Cb -0.17 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1k5n s VAL 261 CO 0.04 0.38 -0.16 -1.10 0.00 0.00 0.00 175.10 174.26 1k5n s GLN 262 N 0.78 1.89 -0.08 2.72 -0.21 -0.47 -1.35 119.66 122.94 1k5n s GLN 262 Ca -0.12 -0.58 -0.27 0.00 0.02 0.00 0.00 55.36 54.40 1k5n s GLN 262 Cb -0.16 -1.59 0.06 0.00 1.00 0.00 0.00 33.01 32.33 1k5n s GLN 262 CO 0.02 0.17 0.63 -1.58 -2.12 0.00 0.00 175.29 172.41 1k5n s HIS 263 N 0.25 -0.61 0.57 0.91 2.46 -1.26 -1.54 115.29 116.07 1k5n s HIS 263 Ca -0.09 1.12 0.26 0.00 0.47 0.00 0.00 55.06 56.83 1k5n s HIS 263 Cb -0.13 0.34 1.66 0.00 -0.13 0.00 0.00 32.58 34.32 1k5n s HIS 263 CO 0.03 -0.54 2.20 1.05 -2.47 0.00 0.00 174.74 175.02 1k5n h GLU 264 N 3.47 0.00 -0.00 2.88 4.11 -1.94 -1.08 114.58 122.02 1k5n h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1k5n h GLU 264 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1k5n h GLU 264 CO 0.34 0.00 -0.02 0.41 0.07 0.00 0.00 179.01 179.81 1k5n n GLY 265 N -1.39 -1.21 3.57 1.06 0.00 -1.26 -4.68 105.19 101.27 1k5n n GLY 265 Ca -0.02 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1k5n n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k5n s LEU 266 N -2.52 4.05 0.48 0.99 1.43 -0.41 -4.55 118.68 118.16 1k5n s LEU 266 Ca 0.30 -0.10 0.24 0.00 -1.03 0.00 0.00 54.13 53.54 1k5n s LEU 266 Cb 0.20 -2.10 1.22 0.00 0.03 0.00 0.00 46.19 45.54 1k5n s LEU 266 CO 0.46 -0.08 1.98 1.55 0.23 0.00 0.00 176.35 180.49 1k5n h PRO 267 N 8.38 0.00 -4.34 1.29 0.13 -1.84 -3.43 132.00 132.19 1k5n h PRO 267 Ca -0.35 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.52 1k5n h PRO 267 Cb 1.18 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 1k5n h PRO 267 CO 0.57 0.18 -0.73 0.15 -0.23 0.00 0.00 178.00 177.94 1k5n s LYS 268 N -4.06 0.43 0.61 0.86 1.02 -1.26 -5.14 119.74 112.19 1k5n s LYS 268 Ca -0.02 -0.55 -0.19 0.00 0.02 0.00 0.00 55.97 55.22 1k5n s LYS 268 Cb 0.13 -0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.19 1k5n s LYS 268 CO 0.62 0.04 1.24 -2.30 -0.92 0.00 0.00 175.35 174.03 1k5n n PRO 269 N 1.92 1.23 -3.95 -1.68 -0.02 -1.26 -4.96 135.00 126.28 1k5n n PRO 269 Ca -0.20 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 1k5n n PRO 269 Cb 0.56 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 1k5n n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k5n s LEU 270 N -3.57 4.24 -0.08 2.45 1.43 -0.46 -4.94 118.68 117.74 1k5n s LEU 270 Ca 0.78 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1k5n s LEU 270 Cb -0.40 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1k5n s LEU 270 CO 0.44 0.16 -0.20 0.42 0.23 0.00 0.00 176.35 177.40 1k5n s THR 271 N -1.51 1.77 0.07 5.49 -4.23 -1.26 -1.56 115.64 114.42 1k5n s THR 271 Ca 0.34 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1k5n s THR 271 Cb -0.13 -1.55 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 1k5n s THR 271 CO 0.27 0.50 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.97 1k5n s LEU 272 N 0.38 2.31 0.22 4.79 1.02 0.07 -4.96 118.68 122.51 1k5n s LEU 272 Ca -0.16 -0.65 0.07 0.00 0.02 0.00 0.00 54.13 53.41 1k5n s LEU 272 Cb -0.17 -0.37 -0.05 0.00 0.02 0.00 0.00 46.19 45.62 1k5n s LEU 272 CO 0.07 -0.16 -0.11 -0.13 0.02 0.00 0.00 176.35 176.05 1k5n s ARG 273 N -1.97 1.35 0.26 1.70 0.52 -1.26 -0.79 118.95 118.76 1k5n s ARG 273 Ca -0.02 -1.63 -0.30 0.00 -0.52 0.00 0.00 55.73 53.26 1k5n s ARG 273 Cb -0.08 -1.03 -0.10 0.00 0.52 0.00 0.00 34.95 34.25 1k5n s ARG 273 CO 0.01 0.11 1.49 -0.46 0.02 0.00 0.00 175.30 176.48 1k5n s TRP 274 N -3.06 2.94 -0.39 -0.53 -0.00 -1.26 -4.75 118.94 111.89 1k5n s TRP 274 Ca 0.24 0.94 0.00 0.00 -0.00 0.00 0.00 56.10 57.29 1k5n s TRP 274 Cb 0.01 -3.89 0.11 0.00 -0.00 0.00 0.00 33.47 29.70 1k5n s TRP 274 CO 0.07 -2.95 0.14 -1.21 -0.00 0.00 0.00 176.95 173.01 1k5n s GLU 275 N -0.36 1.79 0.00 5.86 2.02 -1.26 -4.94 118.70 121.80 1k5n s GLU 275 Ca 0.61 -1.88 0.18 0.00 0.02 0.00 0.00 54.97 53.89 1k5n s GLU 275 Cb -0.44 -3.42 1.05 0.00 0.10 0.00 0.00 34.13 31.42 1k5n s GLU 275 CO 0.44 -1.02 1.45 -0.35 0.02 0.00 0.00 175.26 175.80