#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpq s SER 2 N 0.00 6.26 0.05 1.61 0.01 -1.26 -3.49 113.70 116.87 3kpq s SER 2 Ca 0.00 0.94 -0.06 0.00 1.31 0.00 0.00 55.95 58.13 3kpq s SER 2 Cb 0.00 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.97 3kpq s SER 2 CO 0.00 -0.59 0.12 -1.00 0.41 0.00 0.00 173.24 172.18 3kpq s HIS 3 N -2.75 0.20 0.10 2.43 0.09 -0.37 -4.97 115.29 110.02 3kpq s HIS 3 Ca 0.48 -0.54 0.05 0.00 -0.00 0.00 0.00 55.06 55.05 3kpq s HIS 3 Cb -0.10 -0.13 -0.03 0.00 -0.00 0.00 0.00 32.58 32.31 3kpq s HIS 3 CO 0.45 -0.41 -0.13 -1.54 -0.00 0.00 0.00 174.74 173.11 3kpq s SER 4 N -2.33 1.78 -0.05 1.40 1.04 -1.26 -0.26 113.70 114.02 3kpq s SER 4 Ca -0.02 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.68 3kpq s SER 4 Cb 0.01 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.09 3kpq s SER 4 CO -0.06 -0.16 -0.15 -0.32 0.98 0.00 0.00 173.24 173.54 3kpq s MET 5 N -2.46 1.72 0.01 4.02 -2.45 -0.34 -0.79 119.30 119.00 3kpq s MET 5 Ca 0.05 -0.51 0.01 0.00 -1.25 0.00 0.00 55.69 53.99 3kpq s MET 5 Cb -0.06 -1.46 -0.01 0.00 1.25 0.00 0.00 34.83 34.56 3kpq s MET 5 CO 0.02 0.14 -0.03 1.03 1.05 0.00 0.00 175.02 177.23 3kpq s ARG 6 N 0.30 0.25 -0.11 4.11 1.81 -0.60 -1.49 118.95 123.22 3kpq s ARG 6 Ca -0.09 -0.24 -0.00 0.00 -1.72 0.00 0.00 55.73 53.68 3kpq s ARG 6 Cb -0.13 -0.16 -0.02 0.00 -0.45 0.00 0.00 34.95 34.19 3kpq s ARG 6 CO 0.03 0.04 -0.10 0.71 -0.68 0.00 0.00 175.30 175.29 3kpq s TYR 7 N -0.41 2.86 -0.19 -0.53 2.02 0.01 -0.81 117.35 120.31 3kpq s TYR 7 Ca -0.03 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3kpq s TYR 7 Cb -0.03 -1.80 -0.00 0.00 -0.40 0.00 0.00 41.96 39.72 3kpq s TYR 7 CO -0.00 -0.00 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.82 3kpq s PHE 8 N -0.06 2.88 -0.08 2.71 0.40 0.09 -1.81 117.98 122.11 3kpq s PHE 8 Ca -0.01 -1.01 -0.01 0.00 -0.60 0.00 0.00 56.93 55.30 3kpq s PHE 8 Cb -0.14 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 3kpq s PHE 8 CO 0.03 -0.51 -0.00 0.71 0.70 0.00 0.00 175.22 176.15 3kpq s TYR 9 N 1.13 3.14 -0.08 0.36 1.51 0.53 -1.49 117.35 122.44 3kpq s TYR 9 Ca 0.01 0.17 -0.00 0.00 -1.01 0.00 0.00 57.07 56.24 3kpq s TYR 9 Cb -0.14 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 3kpq s TYR 9 CO -0.03 0.46 -0.05 0.99 -1.11 0.00 0.00 175.55 175.81 3kpq s THR 10 N -0.88 0.77 -0.19 -0.71 2.01 -0.44 -2.01 115.64 114.18 3kpq s THR 10 Ca 0.13 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.98 3kpq s THR 10 Cb -0.11 -0.82 0.03 0.00 0.01 0.00 0.00 72.50 71.61 3kpq s THR 10 CO 0.02 0.31 -0.18 0.00 -0.69 0.00 0.00 174.62 174.09 3kpq s ALA 11 N 1.54 2.32 -0.23 7.40 0.00 0.56 -0.48 121.76 132.87 3kpq s ALA 11 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3kpq s ALA 11 Cb -0.13 -1.24 0.06 0.00 0.00 0.00 0.00 23.12 21.81 3kpq s ALA 11 CO -0.05 -0.50 -0.06 -1.64 0.00 0.00 0.00 175.76 173.52 3kpq s MET 12 N 1.28 1.64 0.66 0.00 -1.94 0.37 -0.79 119.30 120.52 3kpq s MET 12 Ca 0.03 -0.98 -0.14 0.00 -1.71 0.00 0.00 55.69 52.89 3kpq s MET 12 Cb -0.14 -2.57 -0.00 0.00 2.01 0.00 0.00 34.83 34.12 3kpq s MET 12 CO -0.11 -0.59 1.08 -1.54 -0.01 0.00 0.00 175.02 173.85 3kpq s SER 13 N 1.40 5.31 -0.49 3.03 1.04 0.21 -1.20 113.70 123.00 3kpq s SER 13 Ca -0.06 1.82 0.06 0.00 0.48 0.00 0.00 55.95 58.26 3kpq s SER 13 Cb -0.19 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.65 3kpq s SER 13 CO -0.06 -1.49 0.88 -2.11 0.98 0.00 0.00 173.24 171.44 3kpq n ARG 14 N -2.61 0.78 -1.58 4.02 1.85 -1.26 -4.03 116.66 113.81 3kpq n ARG 14 Ca 0.09 -1.76 -0.49 0.00 -1.00 0.00 0.00 57.85 54.68 3kpq n ARG 14 Cb 0.53 -1.46 -0.04 0.00 -1.05 0.00 0.00 32.46 30.43 3kpq n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3kpq n PRO 15 N 1.66 1.19 -0.49 2.89 -0.02 -1.26 -1.16 135.00 137.80 3kpq n PRO 15 Ca 0.09 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3kpq n PRO 15 Cb 0.63 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3kpq n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpq n GLY 16 N 2.12 0.97 2.37 -1.23 0.00 -1.26 -4.87 105.19 103.29 3kpq n GLY 16 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 3kpq n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpq n ARG 17 N -2.00 2.10 0.00 1.61 1.74 -0.31 -5.12 116.66 114.68 3kpq n ARG 17 Ca 0.00 -3.54 0.00 0.00 -0.77 0.00 0.00 57.85 53.54 3kpq n ARG 17 Cb 0.00 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 3kpq n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpq n GLY 18 N -0.55 -1.66 3.88 -0.13 0.00 -1.26 -4.92 105.19 100.55 3kpq n GLY 18 Ca 0.18 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 3kpq n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpq s GLU 19 N 0.00 3.74 0.19 1.61 0.41 -1.26 -4.60 118.70 118.80 3kpq s GLU 19 Ca 0.00 0.45 -0.33 0.00 -0.41 0.00 0.00 54.97 54.68 3kpq s GLU 19 Cb 0.00 -2.37 -0.13 0.00 -1.78 0.00 0.00 34.13 29.84 3kpq s GLU 19 CO 0.00 -0.08 1.56 -2.30 -0.49 0.00 0.00 175.26 173.95 3kpq n PRO 20 N -1.49 2.26 -2.35 0.39 -0.02 -1.26 -4.82 135.00 127.71 3kpq n PRO 20 Ca 0.02 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 3kpq n PRO 20 Cb 0.54 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3kpq n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kpq s ARG 21 N 0.55 4.45 -0.18 -0.52 3.52 -0.34 -4.77 118.95 121.66 3kpq s ARG 21 Ca 0.75 1.89 0.01 0.00 -0.13 0.00 0.00 55.73 58.24 3kpq s ARG 21 Cb -0.63 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 29.52 3kpq s ARG 21 CO 0.40 -0.17 -0.20 0.12 -0.81 0.00 0.00 175.30 174.65 3kpq s PHE 22 N 0.30 2.78 0.04 5.12 5.36 -1.26 -0.47 117.98 129.85 3kpq s PHE 22 Ca 0.55 -1.65 0.07 0.00 -0.96 0.00 0.00 56.93 54.94 3kpq s PHE 22 Cb -0.33 -1.92 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 3kpq s PHE 22 CO 0.35 -0.81 -0.17 0.42 -1.46 0.00 0.00 175.22 173.55 3kpq s ILE 23 N 1.29 2.86 -0.03 3.12 1.01 0.37 -1.69 121.20 128.14 3kpq s ILE 23 Ca 0.05 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.58 3kpq s ILE 23 Cb -0.13 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.14 3kpq s ILE 23 CO -0.13 0.35 -0.10 -0.89 0.00 0.00 0.00 174.94 174.17 3kpq s THR 24 N -0.93 0.83 -0.02 2.92 2.01 0.24 -1.33 115.64 119.37 3kpq s THR 24 Ca 0.15 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3kpq s THR 24 Cb -0.11 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 3kpq s THR 24 CO 0.05 0.26 -0.14 0.68 -0.69 0.00 0.00 174.62 174.78 3kpq s VAL 25 N 0.16 1.15 -0.02 3.82 -7.23 -0.56 -0.33 120.40 117.40 3kpq s VAL 25 Ca -0.03 -0.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.58 3kpq s VAL 25 Cb -0.09 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 3kpq s VAL 25 CO 0.01 0.33 -0.16 -0.83 -0.31 0.00 0.00 175.10 174.13 3kpq s GLY 26 N -0.26 1.52 -0.01 2.32 0.00 0.16 -0.73 107.32 110.32 3kpq s GLY 26 Ca 0.04 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.74 3kpq s GLY 26 CO -0.00 -0.88 -0.14 -0.19 0.00 0.00 0.00 173.10 171.89 3kpq s TYR 27 N -0.79 1.26 -0.24 1.90 1.51 0.01 -0.80 117.35 120.21 3kpq s TYR 27 Ca 0.12 -0.25 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 3kpq s TYR 27 Cb -0.11 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.90 3kpq s TYR 27 CO 0.02 -0.03 0.04 0.08 -1.11 0.00 0.00 175.55 174.55 3kpq s VAL 28 N -0.29 4.12 0.00 0.71 1.01 -0.21 -1.56 120.40 124.17 3kpq s VAL 28 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3kpq s VAL 28 Cb -0.06 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3kpq s VAL 28 CO -0.00 0.37 0.00 0.47 0.00 0.00 0.00 175.10 175.93 3kpq n ASP 29 N 4.79 0.00 -1.61 3.32 8.00 0.03 -0.98 116.55 130.09 3kpq n ASP 29 Ca -0.17 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.32 3kpq n ASP 29 Cb 0.51 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.90 3kpq n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kpq n ASP 30 N 5.42 4.31 -4.32 -2.24 8.00 -1.26 -4.89 116.55 121.56 3kpq n ASP 30 Ca 0.00 -3.25 -0.36 0.00 0.71 0.00 0.00 54.79 51.89 3kpq n ASP 30 Cb 0.00 -0.68 -0.13 0.00 -0.02 0.00 0.00 41.12 40.29 3kpq n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpq s THR 31 N -2.99 3.70 0.05 -3.53 2.01 -0.16 -5.02 115.64 109.71 3kpq s THR 31 Ca 0.51 -0.70 -0.31 0.00 0.31 0.00 0.00 61.69 61.51 3kpq s THR 31 Cb 0.41 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 3kpq s THR 31 CO 0.10 0.16 1.20 -0.22 -0.69 0.00 0.00 174.62 175.17 3kpq s LEU 32 N 1.47 4.36 -0.00 4.42 2.96 -1.26 -1.04 118.68 129.59 3kpq s LEU 32 Ca 0.03 1.99 0.02 0.00 -0.22 0.00 0.00 54.13 55.95 3kpq s LEU 32 Cb -0.17 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 3kpq s LEU 32 CO 0.00 -0.47 0.03 2.22 -1.32 0.00 0.00 176.35 176.81 3kpq n PHE 33 N 4.03 0.00 -3.77 5.38 -1.74 0.02 -4.16 117.46 117.22 3kpq n PHE 33 Ca 0.09 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.85 3kpq n PHE 33 Cb 0.46 -0.04 -0.09 0.00 1.52 0.00 0.00 39.48 41.33 3kpq n PHE 33 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kpq s VAL 34 N -2.10 0.04 0.03 1.97 0.11 -1.19 0.04 120.40 119.30 3kpq s VAL 34 Ca -0.01 -0.36 -0.07 0.00 -2.93 0.00 0.00 61.98 58.61 3kpq s VAL 34 Cb 0.01 -0.57 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 3kpq s VAL 34 CO 0.06 -0.20 0.13 0.00 -3.33 0.00 0.00 175.10 171.76 3kpq s ARG 35 N -0.94 0.57 -0.09 1.54 1.70 -0.83 -0.67 118.95 120.23 3kpq s ARG 35 Ca -0.10 -0.60 -0.07 0.00 -0.47 0.00 0.00 55.73 54.49 3kpq s ARG 35 Cb -0.05 0.23 0.03 0.00 -0.57 0.00 0.00 34.95 34.59 3kpq s ARG 35 CO 0.03 -0.14 0.23 0.12 -1.08 0.00 0.00 175.30 174.46 3kpq s PHE 36 N -2.13 -0.27 -0.04 5.89 2.19 0.55 -0.40 117.98 123.78 3kpq s PHE 36 Ca -0.09 0.65 -0.02 0.00 0.33 0.00 0.00 56.93 57.80 3kpq s PHE 36 Cb -0.04 0.07 0.03 0.00 -1.31 0.00 0.00 43.02 41.77 3kpq s PHE 36 CO -0.02 -0.15 0.06 0.34 1.83 0.00 0.00 175.22 177.28 3kpq s ASP 37 N 0.44 0.98 0.56 6.13 -1.08 -1.26 -0.59 116.67 121.85 3kpq s ASP 37 Ca -0.03 0.07 0.34 0.00 -0.52 0.00 0.00 52.55 52.41 3kpq s ASP 37 Cb -0.04 -0.13 1.53 0.00 -1.46 0.00 0.00 42.92 42.82 3kpq s ASP 37 CO -0.02 -0.23 2.05 0.77 0.52 0.00 0.00 175.17 178.26 3kpq h SER 38 N 8.27 0.00 0.67 -0.34 4.64 -1.72 -1.43 113.55 123.64 3kpq h SER 38 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3kpq h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kpq h SER 38 CO 0.20 0.05 0.00 0.47 -0.87 0.00 0.00 176.83 176.68 3kpq n ASP 39 N -3.21 0.00 -4.76 4.97 8.00 -1.26 -4.79 116.55 115.51 3kpq n ASP 39 Ca -0.01 0.05 -0.36 0.00 0.71 0.00 0.00 54.79 55.19 3kpq n ASP 39 Cb 0.27 -0.35 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3kpq n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpq s ALA 40 N -2.69 2.57 0.22 2.24 0.00 -0.54 -4.92 121.76 118.64 3kpq s ALA 40 Ca 0.24 0.94 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 3kpq s ALA 40 Cb 0.19 -3.42 0.33 0.00 0.00 0.00 0.00 23.12 20.22 3kpq s ALA 40 CO 0.47 -1.08 1.71 1.15 0.00 0.00 0.00 175.76 178.01 3kpq h THR 41 N 0.90 0.66 -2.97 0.00 2.02 -1.90 -3.23 112.91 108.39 3kpq h THR 41 Ca -0.50 -0.11 -0.61 0.00 0.77 0.00 0.00 66.41 65.96 3kpq h THR 41 Cb 1.29 0.32 -0.40 0.00 -1.74 0.00 0.00 68.15 67.61 3kpq h THR 41 CO 0.55 0.06 -0.74 -0.44 0.37 0.00 0.00 175.52 175.32 3kpq s SER 42 N -5.32 3.61 -0.06 4.18 0.01 -1.26 -5.10 113.70 109.76 3kpq s SER 42 Ca -0.13 -2.74 -0.36 0.00 1.31 0.00 0.00 55.95 54.02 3kpq s SER 42 Cb 0.18 -1.05 -0.14 0.00 0.21 0.00 0.00 66.02 65.22 3kpq s SER 42 CO 0.75 -0.25 1.68 -2.65 0.41 0.00 0.00 173.24 173.17 3kpq n PRO 43 N 3.38 1.67 -3.44 12.44 -0.02 -1.22 -4.95 135.00 142.86 3kpq n PRO 43 Ca 0.11 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3kpq n PRO 43 Cb 0.35 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 3kpq n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kpq s ARG 44 N 2.60 1.19 0.09 -0.52 1.70 -1.26 -5.03 118.95 117.71 3kpq s ARG 44 Ca 0.90 -0.39 -0.31 0.00 -0.47 0.00 0.00 55.73 55.47 3kpq s ARG 44 Cb -0.85 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 33.98 3kpq s ARG 44 CO 0.52 -0.51 1.79 0.15 -1.08 0.00 0.00 175.30 176.18 3kpq s LYS 45 N -3.45 4.15 -0.05 3.89 -0.14 -1.26 -4.46 119.74 118.42 3kpq s LYS 45 Ca 0.01 2.51 0.06 0.00 -1.36 0.00 0.00 55.97 57.19 3kpq s LYS 45 Cb -0.01 -3.68 -0.02 0.00 -1.68 0.00 0.00 37.83 32.44 3kpq s LYS 45 CO -0.11 -0.83 -0.23 -1.21 -0.76 0.00 0.00 175.35 172.21 3kpq s GLU 46 N 2.98 2.48 0.31 1.68 2.02 0.47 -4.92 118.70 123.72 3kpq s GLU 46 Ca 0.80 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 54.63 3kpq s GLU 46 Cb -0.43 -2.19 -0.10 0.00 0.10 0.00 0.00 34.13 31.51 3kpq s GLU 46 CO 0.36 0.45 1.23 -1.25 0.02 0.00 0.00 175.26 176.06 3kpq s PRO 47 N -0.32 4.46 0.00 0.39 0.04 -1.26 -1.97 135.00 136.34 3kpq s PRO 47 Ca 0.01 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3kpq s PRO 47 Cb -0.13 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.30 3kpq s PRO 47 CO 0.02 -0.04 0.62 0.54 0.04 0.00 0.00 177.00 178.18 3kpq n ARG 48 N 0.94 0.92 -3.87 4.56 5.12 0.11 -4.91 116.66 119.52 3kpq n ARG 48 Ca -0.00 -0.81 -0.11 0.00 -1.93 0.00 0.00 57.85 54.99 3kpq n ARG 48 Cb 0.43 -0.80 -0.12 0.00 -1.16 0.00 0.00 32.46 30.81 3kpq n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kpq s ALA 49 N -0.38 -0.18 0.27 7.54 0.00 -1.24 -4.68 121.76 123.08 3kpq s ALA 49 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 3kpq s ALA 49 Cb 0.00 -0.03 0.46 0.00 0.00 0.00 0.00 23.12 23.55 3kpq s ALA 49 CO 0.00 -0.10 1.84 -1.35 0.00 0.00 0.00 175.76 176.15 3kpq h PRO 50 N 5.34 0.97 0.00 0.00 0.11 -1.95 -2.92 132.00 133.55 3kpq h PRO 50 Ca -0.27 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kpq h PRO 50 Cb 1.20 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kpq h PRO 50 CO 0.43 0.64 0.00 0.11 -0.21 0.00 0.00 178.00 178.98 3kpq h TRP 51 N 1.00 0.00 0.00 0.65 5.08 -1.98 -2.22 115.95 118.48 3kpq h TRP 51 Ca 0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.42 3kpq h TRP 51 Cb 0.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 3kpq h TRP 51 CO -0.02 0.00 -0.47 0.97 -1.28 0.00 0.00 178.44 177.64 3kpq h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.87 -3.29 117.51 118.56 3kpq h ILE 52 Ca 0.00 -0.93 0.00 0.00 -1.37 0.00 0.00 64.86 62.56 3kpq h ILE 52 Cb 0.43 1.68 0.00 0.00 0.47 0.00 0.00 36.82 39.40 3kpq h ILE 52 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 3kpq n GLU 53 N -2.79 0.16 -0.08 2.19 1.02 -0.83 -1.81 120.64 118.50 3kpq n GLU 53 Ca 0.02 0.59 -0.04 0.00 -0.02 0.00 0.00 57.16 57.71 3kpq n GLU 53 Cb 0.52 -1.96 0.17 0.00 -0.02 0.00 0.00 31.44 30.16 3kpq n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3kpq h GLN 54 N 0.00 0.72 -6.84 3.49 4.20 -1.72 -3.45 115.11 111.51 3kpq h GLN 54 Ca 0.00 -0.21 -0.56 0.00 0.06 0.00 0.00 58.65 57.94 3kpq h GLN 54 Cb 0.10 -0.07 0.11 0.00 0.30 0.00 0.00 27.48 27.92 3kpq h GLN 54 CO 0.00 0.78 0.60 0.39 -0.67 0.00 0.00 178.83 179.93 3kpq n GLU 55 N -4.19 2.28 -1.13 1.46 -0.58 -0.75 -4.97 120.64 112.75 3kpq n GLU 55 Ca 0.02 0.80 -0.30 0.00 -0.42 0.00 0.00 57.16 57.26 3kpq n GLU 55 Cb 0.33 -2.47 0.23 0.00 -0.57 0.00 0.00 31.44 28.96 3kpq n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3kpq s GLY 56 N -0.30 1.59 0.38 0.62 0.00 -1.26 -4.84 107.32 103.51 3kpq s GLY 56 Ca 0.56 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 44.41 3kpq s GLY 56 CO 0.62 -0.06 2.01 -2.55 0.00 0.00 0.00 173.10 173.12 3kpq h PRO 57 N -2.48 0.68 -0.44 2.90 0.11 -1.98 -2.31 132.00 128.48 3kpq h PRO 57 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3kpq h PRO 57 Cb 1.29 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3kpq h PRO 57 CO 0.36 0.45 -0.06 0.93 -0.21 0.00 0.00 178.00 179.47 3kpq h GLU 58 N 0.70 0.75 0.07 1.05 5.08 -1.99 -0.07 114.58 120.18 3kpq h GLU 58 Ca 0.22 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kpq h GLU 58 Cb 0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kpq h GLU 58 CO -0.06 0.80 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.80 3kpq h TYR 59 N 0.69 -0.09 -0.50 4.33 3.20 -1.76 -1.40 116.97 121.43 3kpq h TYR 59 Ca 0.13 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 3kpq h TYR 59 Cb 0.51 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3kpq h TYR 59 CO 0.03 -0.03 0.07 -1.49 -1.64 0.00 0.00 178.16 175.09 3kpq h TRP 60 N -0.12 0.83 0.38 -3.82 4.06 -1.28 -0.36 115.95 115.65 3kpq h TRP 60 Ca -0.01 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 3kpq h TRP 60 Cb 0.09 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.02 3kpq h TRP 60 CO -0.07 0.73 -0.18 -0.44 -3.56 0.00 0.00 178.44 174.92 3kpq h ASP 61 N 0.76 -0.43 -0.25 -3.49 3.32 -0.95 -1.23 116.42 114.14 3kpq h ASP 61 Ca 0.16 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3kpq h ASP 61 Cb 0.36 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3kpq h ASP 61 CO 0.01 -0.22 0.04 -0.09 -1.72 0.00 0.00 179.24 177.25 3kpq h ARG 62 N -0.62 0.13 -0.69 3.56 9.65 -1.17 -1.26 114.38 123.98 3kpq h ARG 62 Ca -0.05 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 3kpq h ARG 62 Cb 0.45 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 3kpq h ARG 62 CO 0.09 0.08 0.39 0.93 2.80 0.00 0.00 179.97 184.27 3kpq h GLU 63 N 0.13 0.95 -0.71 0.20 4.39 -1.08 -1.51 114.58 116.96 3kpq h GLU 63 Ca 0.11 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3kpq h GLU 63 Cb 0.12 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3kpq h GLU 63 CO -0.16 0.70 0.32 1.15 -1.16 0.00 0.00 179.01 179.86 3kpq h THR 64 N 0.94 1.24 -0.69 1.13 2.02 -1.03 -2.77 112.91 113.76 3kpq h THR 64 Ca 0.25 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 3kpq h THR 64 Cb 0.01 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3kpq h THR 64 CO -0.04 0.29 0.34 -0.61 0.37 0.00 0.00 175.52 175.86 3kpq h GLN 65 N 0.99 0.99 -0.18 6.66 5.75 -0.71 -0.07 115.11 128.55 3kpq h GLN 65 Ca 0.24 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 3kpq h GLN 65 Cb 0.16 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 3kpq h GLN 65 CO -0.03 0.78 -0.16 0.82 -2.65 0.00 0.00 178.83 177.60 3kpq h ILE 66 N 0.96 0.57 -0.49 2.39 2.04 -1.16 0.44 117.51 122.25 3kpq h ILE 66 Ca 0.24 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.99 3kpq h ILE 66 Cb 0.11 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3kpq h ILE 66 CO -0.03 0.00 -0.10 0.28 0.00 0.00 0.00 178.15 178.30 3kpq h SER 67 N -0.17 0.94 -0.36 1.72 0.02 -1.23 0.13 113.55 114.60 3kpq h SER 67 Ca 0.11 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3kpq h SER 67 Cb 0.34 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3kpq h SER 67 CO -0.28 1.07 0.20 0.11 -1.14 0.00 0.00 176.83 176.79 3kpq h LYS 68 N 0.79 0.50 -0.76 3.45 1.57 -0.80 -0.33 116.57 120.99 3kpq h LYS 68 Ca 0.13 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3kpq h LYS 68 Cb 0.65 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3kpq h LYS 68 CO 0.04 0.40 0.49 1.15 -0.57 0.00 0.00 179.45 180.97 3kpq h THR 69 N 0.46 1.16 -0.99 -0.16 2.02 -0.75 -2.97 112.91 111.68 3kpq h THR 69 Ca 0.13 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3kpq h THR 69 Cb 0.04 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.49 3kpq h THR 69 CO -0.02 0.18 0.65 0.78 0.37 0.00 0.00 175.52 177.48 3kpq h ASN 70 N 0.99 1.12 -0.63 4.18 -0.26 -0.30 -0.13 115.58 120.56 3kpq h ASN 70 Ca 0.29 -0.02 0.12 0.00 -0.56 0.00 0.00 56.30 56.12 3kpq h ASN 70 Cb -0.07 -0.27 -0.09 0.00 -1.06 0.00 0.00 38.32 36.83 3kpq h ASN 70 CO -0.08 0.79 0.15 0.74 -1.06 0.00 0.00 177.43 177.97 3kpq h THR 71 N 1.31 0.63 -0.14 2.81 2.02 -0.90 0.26 112.91 118.90 3kpq h THR 71 Ca 0.38 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 3kpq h THR 71 Cb -0.10 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3kpq h THR 71 CO -0.10 0.05 -0.31 1.56 0.37 0.00 0.00 175.52 177.09 3kpq h GLN 72 N 0.28 0.46 -0.50 6.66 1.08 -1.40 -2.73 115.11 118.95 3kpq h GLN 72 Ca 0.33 -0.31 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 3kpq h GLN 72 Cb 0.50 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.93 3kpq h GLN 72 CO -0.41 0.92 0.27 1.15 -0.95 0.00 0.00 178.83 179.80 3kpq h THR 73 N 0.07 0.99 0.00 -0.54 2.02 -0.53 -2.36 112.91 112.56 3kpq h THR 73 Ca 0.00 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3kpq h THR 73 Cb 0.91 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3kpq h THR 73 CO 0.07 0.10 -0.27 1.88 0.37 0.00 0.00 175.52 177.67 3kpq h TYR 74 N 0.53 0.00 -0.48 3.16 0.05 -0.54 -0.80 116.97 118.89 3kpq h TYR 74 Ca 0.22 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.92 3kpq h TYR 74 Cb 0.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 3kpq h TYR 74 CO -0.09 0.27 -0.00 0.00 -1.05 0.00 0.00 178.16 177.29 3kpq h ARG 75 N 0.00 0.85 -0.47 4.88 3.08 -1.16 -1.78 114.38 119.77 3kpq h ARG 75 Ca -0.00 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 3kpq h ARG 75 Cb 0.86 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3kpq h ARG 75 CO 0.03 0.89 0.26 1.49 -1.07 0.00 0.00 179.97 181.58 3kpq h GLU 76 N 0.71 0.66 -0.69 0.04 4.81 -0.85 -2.21 114.58 117.05 3kpq h GLU 76 Ca 0.14 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3kpq h GLU 76 Cb 0.51 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3kpq h GLU 76 CO 0.02 0.52 0.40 -0.91 -0.73 0.00 0.00 179.01 178.32 3kpq h ASN 77 N 0.62 0.61 -0.49 1.04 -0.26 -1.06 -0.20 115.58 115.84 3kpq h ASN 77 Ca 0.17 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3kpq h ASN 77 Cb 0.06 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 3kpq h ASN 77 CO -0.03 0.40 0.30 -0.07 -1.06 0.00 0.00 177.43 176.97 3kpq h LEU 78 N 0.74 0.58 -0.33 1.61 3.38 -1.19 0.21 115.31 120.31 3kpq h LEU 78 Ca 0.30 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.24 3kpq h LEU 78 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kpq h LEU 78 CO -0.17 0.46 0.18 0.03 0.09 0.00 0.00 178.44 179.03 3kpq h ARG 79 N 0.65 0.36 -0.39 1.13 3.08 -0.81 -2.12 114.38 116.29 3kpq h ARG 79 Ca 0.18 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3kpq h ARG 79 Cb -0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3kpq h ARG 79 CO -0.03 0.24 0.22 1.15 -1.07 0.00 0.00 179.97 180.48 3kpq h THR 80 N 0.37 1.14 -0.86 2.04 2.02 -0.75 -2.69 112.91 114.19 3kpq h THR 80 Ca 0.14 -0.36 0.07 0.00 0.77 0.00 0.00 66.41 67.02 3kpq h THR 80 Cb 0.03 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.05 3kpq h THR 80 CO -0.08 0.15 0.53 0.00 0.37 0.00 0.00 175.52 176.49 3kpq h ALA 81 N 1.08 1.19 -0.51 6.16 0.00 -0.46 0.38 119.26 127.10 3kpq h ALA 81 Ca 0.14 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3kpq h ALA 81 Cb 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3kpq h ALA 81 CO -0.02 0.26 0.19 -0.07 0.00 0.00 0.00 179.25 179.60 3kpq h LEU 82 N 0.95 0.19 -0.24 0.00 3.38 -1.13 -1.69 115.31 116.77 3kpq h LEU 82 Ca 0.38 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 3kpq h LEU 82 Cb 0.20 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kpq h LEU 82 CO -0.18 0.14 0.08 0.03 0.09 0.00 0.00 178.44 178.60 3kpq h ARG 83 N 0.37 0.37 0.00 1.13 3.08 -0.95 -0.15 114.38 118.22 3kpq h ARG 83 Ca 0.25 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3kpq h ARG 83 Cb 0.26 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3kpq h ARG 83 CO -0.25 0.44 -0.05 1.88 -1.07 0.00 0.00 179.97 180.92 3kpq h TYR 84 N 0.23 0.00 -0.40 3.04 -1.99 -0.62 -2.32 116.97 114.92 3kpq h TYR 84 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3kpq h TYR 84 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 3kpq h TYR 84 CO -0.00 0.05 0.00 0.66 -0.00 0.00 0.00 178.16 178.87 3kpq n TYR 85 N -4.13 0.70 -3.81 4.88 4.01 -0.67 -4.77 117.16 113.37 3kpq n TYR 85 Ca -0.03 -0.58 -0.26 0.00 -0.16 0.00 0.00 57.90 56.87 3kpq n TYR 85 Cb 0.14 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 3kpq n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kpq n ASN 86 N 0.49 -3.42 -4.88 7.72 3.02 -0.71 -4.96 115.26 112.52 3kpq n ASN 86 Ca 0.16 -0.78 -0.31 0.00 -0.03 0.00 0.00 54.58 53.62 3kpq n ASN 86 Cb 0.57 -4.03 -0.05 0.00 -0.61 0.00 0.00 39.78 35.66 3kpq n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kpq s GLN 87 N -6.34 3.28 0.70 3.52 -0.21 -0.15 -5.05 119.66 115.42 3kpq s GLN 87 Ca 0.39 -0.49 -0.11 0.00 0.02 0.00 0.00 55.36 55.16 3kpq s GLN 87 Cb -0.19 -2.96 0.02 0.00 1.00 0.00 0.00 33.01 30.88 3kpq s GLN 87 CO 0.82 0.61 1.08 -1.54 -2.12 0.00 0.00 175.29 174.14 3kpq s SER 88 N -2.40 5.40 -0.04 5.90 1.04 -1.26 -4.72 113.70 117.63 3kpq s SER 88 Ca 0.32 1.07 0.16 0.00 0.48 0.00 0.00 55.95 57.98 3kpq s SER 88 Cb -0.13 -1.86 0.52 0.00 0.10 0.00 0.00 66.02 64.65 3kpq s SER 88 CO 0.25 -1.35 1.42 -0.62 0.98 0.00 0.00 173.24 173.91 3kpq n GLU 89 N -2.99 2.62 0.05 4.02 1.02 -1.26 -3.86 120.64 120.24 3kpq n GLU 89 Ca 0.07 -2.08 0.01 0.00 -0.02 0.00 0.00 57.16 55.14 3kpq n GLU 89 Cb 0.57 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 3kpq n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kpq h ALA 90 N 3.92 0.64 -2.34 0.62 0.00 -1.98 -3.44 119.26 116.67 3kpq h ALA 90 Ca 0.00 -0.72 -0.50 0.00 0.00 0.00 0.00 54.91 53.69 3kpq h ALA 90 Cb 0.92 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kpq h ALA 90 CO 0.07 0.79 -0.00 0.20 0.00 0.00 0.00 179.25 180.31 3kpq s GLY 91 N -4.72 1.76 -0.10 0.00 0.00 -1.25 -4.67 107.32 98.35 3kpq s GLY 91 Ca -0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 44.72 44.12 3kpq s GLY 91 CO 0.80 -0.31 0.29 -0.56 0.00 0.00 0.00 173.10 173.32 3kpq s SER 92 N -3.44 6.54 0.18 1.64 0.01 -1.26 -4.63 113.70 112.74 3kpq s SER 92 Ca 0.47 0.63 0.02 0.00 1.31 0.00 0.00 55.95 58.39 3kpq s SER 92 Cb -0.10 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 3kpq s SER 92 CO 0.34 0.25 -0.01 -1.00 0.41 0.00 0.00 173.24 173.24 3kpq s HIS 93 N -0.40 1.28 -0.04 2.43 3.76 -1.26 -4.96 115.29 116.10 3kpq s HIS 93 Ca 0.18 -0.98 0.01 0.00 -0.15 0.00 0.00 55.06 54.12 3kpq s HIS 93 Cb -0.14 -0.73 0.02 0.00 1.11 0.00 0.00 32.58 32.85 3kpq s HIS 93 CO 0.07 -0.15 -0.03 0.42 -0.85 0.00 0.00 174.74 174.20 3kpq s ILE 94 N -3.58 0.44 -0.11 0.60 1.01 -1.26 -0.61 121.20 117.69 3kpq s ILE 94 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 3kpq s ILE 94 Cb 0.06 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 3kpq s ILE 94 CO 0.05 0.21 -0.03 -0.63 0.00 0.00 0.00 174.94 174.54 3kpq s ILE 95 N 1.05 4.01 0.10 2.92 1.01 0.03 -0.01 121.20 130.30 3kpq s ILE 95 Ca -0.09 -0.34 0.08 0.00 0.00 0.00 0.00 60.65 60.29 3kpq s ILE 95 Cb -0.14 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3kpq s ILE 95 CO -0.01 0.56 -0.20 -1.10 0.00 0.00 0.00 174.94 174.19 3kpq s GLN 96 N -0.34 1.08 -0.01 2.79 -0.21 -0.45 -0.32 119.66 122.19 3kpq s GLN 96 Ca 0.06 -1.13 0.01 0.00 0.02 0.00 0.00 55.36 54.32 3kpq s GLN 96 Cb -0.12 -1.31 0.01 0.00 1.00 0.00 0.00 33.01 32.58 3kpq s GLN 96 CO 0.02 0.30 -0.02 0.50 -2.12 0.00 0.00 175.29 173.98 3kpq s ARG 97 N -1.87 0.28 -0.07 2.91 3.52 -0.85 -0.42 118.95 122.45 3kpq s ARG 97 Ca 0.05 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 3kpq s ARG 97 Cb -0.10 -0.34 0.00 0.00 -1.56 0.00 0.00 34.95 32.96 3kpq s ARG 97 CO 0.04 -0.01 -0.18 0.00 -0.81 0.00 0.00 175.30 174.34 3kpq s MET 98 N 0.34 2.17 0.06 5.12 0.23 -0.25 -0.35 119.30 126.62 3kpq s MET 98 Ca -0.03 -0.65 -0.10 0.00 -1.03 0.00 0.00 55.69 53.88 3kpq s MET 98 Cb -0.06 -1.76 0.00 0.00 -1.53 0.00 0.00 34.83 31.48 3kpq s MET 98 CO -0.01 0.17 0.21 1.52 -2.03 0.00 0.00 175.02 174.88 3kpq s TYR 99 N 0.30 0.06 -5.00 3.16 1.13 -0.75 -0.58 117.35 115.67 3kpq s TYR 99 Ca -0.11 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 3kpq s TYR 99 Cb -0.15 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.70 3kpq s TYR 99 CO 0.05 -0.48 0.00 0.41 -2.51 0.00 0.00 175.55 173.02 3kpq n GLY 100 N 0.43 -0.01 3.08 5.49 0.00 -0.70 -0.81 105.19 112.68 3kpq n GLY 100 Ca -0.18 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 3kpq n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpq s ASP 102 N -1.33 4.84 0.15 0.00 1.01 -0.03 -1.20 116.67 120.11 3kpq s ASP 102 Ca -0.14 -0.04 0.10 0.00 0.71 0.00 0.00 52.55 53.18 3kpq s ASP 102 Cb -0.08 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 3kpq s ASP 102 CO 0.01 0.28 -0.21 0.68 0.21 0.00 0.00 175.17 176.13 3kpq s VAL 103 N -0.28 2.57 0.93 -1.27 -7.23 0.64 0.61 120.40 116.37 3kpq s VAL 103 Ca 0.05 -1.76 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 3kpq s VAL 103 Cb -0.13 -2.20 0.19 0.00 0.56 0.00 0.00 36.38 34.81 3kpq s VAL 103 CO 0.02 0.00 1.27 -0.83 -0.31 0.00 0.00 175.10 175.26 3kpq s GLY 104 N -2.37 1.79 0.53 2.32 0.00 -0.38 -1.23 107.32 107.98 3kpq s GLY 104 Ca 0.19 -1.34 0.29 0.00 0.00 0.00 0.00 44.72 43.86 3kpq s GLY 104 CO 0.09 -0.59 1.92 -2.55 0.00 0.00 0.00 173.10 171.97 3kpq h PRO 105 N -1.47 0.03 -0.03 2.90 0.11 -1.91 0.30 132.00 131.93 3kpq h PRO 105 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kpq h PRO 105 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kpq h PRO 105 CO 0.37 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.78 3kpq n ASP 106 N -4.31 1.16 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.95 3kpq n ASP 106 Ca 0.16 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.52 3kpq n ASP 106 Cb 0.85 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 3kpq n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kpq n GLY 107 N 1.12 0.80 3.78 6.12 0.00 0.10 -5.03 105.19 112.08 3kpq n GLY 107 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3kpq n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpq s ARG 108 N -0.06 4.06 0.07 1.61 0.52 -1.26 -4.68 118.95 119.20 3kpq s ARG 108 Ca 0.00 1.65 -0.35 0.00 -0.52 0.00 0.00 55.73 56.51 3kpq s ARG 108 Cb 0.00 -2.55 -0.14 0.00 0.52 0.00 0.00 34.95 32.78 3kpq s ARG 108 CO 0.00 -0.27 1.62 -0.11 0.02 0.00 0.00 175.30 176.57 3kpq n LEU 109 N -0.11 2.93 -0.11 2.53 7.94 -1.26 -1.24 117.00 127.67 3kpq n LEU 109 Ca 0.05 1.06 -0.25 0.00 -1.11 0.00 0.00 56.01 55.76 3kpq n LEU 109 Cb 0.48 -1.36 -0.11 0.00 0.53 0.00 0.00 43.42 42.96 3kpq n LEU 109 CO 0.47 -0.35 -0.94 0.18 -1.11 0.00 0.00 177.39 175.64 3kpq n LEU 110 N 4.16 1.98 -3.55 -1.96 4.32 0.20 -4.81 117.00 117.34 3kpq n LEU 110 Ca 0.19 0.36 -0.08 0.00 -0.02 0.00 0.00 56.01 56.46 3kpq n LEU 110 Cb 0.27 -0.92 -0.03 0.00 -1.62 0.00 0.00 43.42 41.12 3kpq n LEU 110 CO 0.66 0.45 0.80 0.00 -1.22 0.00 0.00 177.39 178.08 3kpq s ARG 111 N -2.44 0.62 0.29 3.23 1.70 -1.12 -5.00 118.95 116.23 3kpq s ARG 111 Ca -0.33 -0.11 0.10 0.00 -0.47 0.00 0.00 55.73 54.92 3kpq s ARG 111 Cb 0.10 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.72 3kpq s ARG 111 CO 0.56 -0.25 -0.02 0.20 -1.08 0.00 0.00 175.30 174.71 3kpq s GLY 112 N -1.94 1.82 0.00 3.88 0.00 -1.26 -0.85 107.32 108.98 3kpq s GLY 112 Ca 0.04 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 42.96 3kpq s GLY 112 CO -0.05 -1.81 0.02 -0.19 0.00 0.00 0.00 173.10 171.06 3kpq s TYR 113 N -2.42 0.11 -0.28 1.90 1.51 0.37 -4.82 117.35 113.73 3kpq s TYR 113 Ca 0.32 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.16 3kpq s TYR 113 Cb -0.04 -0.09 0.15 0.00 -0.11 0.00 0.00 41.96 41.87 3kpq s TYR 113 CO 0.19 -0.13 0.39 0.34 -1.11 0.00 0.00 175.55 175.22 3kpq s ASP 114 N -0.85 0.52 0.00 2.29 2.15 -1.26 -1.72 116.67 117.80 3kpq s ASP 114 Ca -0.09 -0.27 0.05 0.00 0.43 0.00 0.00 52.55 52.67 3kpq s ASP 114 Cb -0.06 1.03 -0.02 0.00 -0.30 0.00 0.00 42.92 43.57 3kpq s ASP 114 CO -0.00 -0.34 -0.17 -1.10 -0.17 0.00 0.00 175.17 173.39 3kpq s GLN 115 N 2.52 1.28 0.08 4.34 -0.21 0.25 -0.27 119.66 127.66 3kpq s GLN 115 Ca 0.10 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 54.88 3kpq s GLN 115 Cb -0.13 -1.27 -0.03 0.00 1.00 0.00 0.00 33.01 32.58 3kpq s GLN 115 CO -0.27 0.34 -0.16 0.71 -2.12 0.00 0.00 175.29 173.79 3kpq s TYR 116 N -0.51 1.39 0.06 0.91 1.51 0.10 -1.09 117.35 119.72 3kpq s TYR 116 Ca 0.06 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3kpq s TYR 116 Cb -0.07 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 3kpq s TYR 116 CO -0.00 0.11 -0.07 0.00 -1.11 0.00 0.00 175.55 174.47 3kpq s ALA 117 N -1.29 0.70 -0.09 3.71 0.00 0.44 -1.13 121.76 124.09 3kpq s ALA 117 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3kpq s ALA 117 Cb -0.10 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3kpq s ALA 117 CO 0.03 -0.09 -0.09 -0.47 0.00 0.00 0.00 175.76 175.15 3kpq s TYR 118 N -2.07 1.40 -1.56 0.00 5.04 -0.34 -1.34 117.35 118.48 3kpq s TYR 118 Ca -0.03 -0.63 -0.13 0.00 -2.44 0.00 0.00 57.07 53.84 3kpq s TYR 118 Cb -0.05 -1.13 0.09 0.00 0.35 0.00 0.00 41.96 41.22 3kpq s TYR 118 CO -0.01 -0.41 0.84 -0.25 -1.34 0.00 0.00 175.55 174.37 3kpq n ASP 119 N 4.54 -3.56 -0.00 4.32 8.00 0.99 -2.13 116.55 128.71 3kpq n ASP 119 Ca -0.16 -0.88 -0.00 0.00 0.71 0.00 0.00 54.79 54.45 3kpq n ASP 119 Cb 0.51 -3.44 -0.00 0.00 -0.02 0.00 0.00 41.12 38.16 3kpq n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpq n GLY 120 N -1.62 0.34 3.56 0.44 0.00 -1.26 -5.01 105.19 101.64 3kpq n GLY 120 Ca -0.01 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3kpq n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpq s LYS 121 N -0.66 2.42 0.13 1.61 1.02 -0.90 -5.09 119.74 118.27 3kpq s LYS 121 Ca 0.00 -0.80 -0.35 0.00 0.02 0.00 0.00 55.97 54.84 3kpq s LYS 121 Cb 0.00 -2.42 -0.16 0.00 -0.52 0.00 0.00 37.83 34.73 3kpq s LYS 121 CO 0.00 0.58 1.28 -0.25 -0.92 0.00 0.00 175.35 176.04 3kpq n ASP 122 N 1.51 1.62 -0.00 2.83 9.92 -1.26 -1.19 116.55 129.97 3kpq n ASP 122 Ca -0.15 1.13 -0.01 0.00 -0.53 0.00 0.00 54.79 55.22 3kpq n ASP 122 Cb 0.52 -1.22 -0.00 0.00 -0.64 0.00 0.00 41.12 39.78 3kpq n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kpq n TYR 123 N 2.14 0.00 -3.72 1.24 9.36 -0.28 -4.63 117.16 121.26 3kpq n TYR 123 Ca 0.17 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.25 3kpq n TYR 123 Cb 0.22 -0.08 -0.09 0.00 -0.63 0.00 0.00 39.34 38.76 3kpq n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kpq s ILE 124 N -1.51 0.02 -0.11 2.97 2.07 -1.15 -0.67 121.20 122.82 3kpq s ILE 124 Ca -0.05 -0.18 -0.06 0.00 -1.41 0.00 0.00 60.65 58.96 3kpq s ILE 124 Cb 0.01 -0.64 0.05 0.00 0.13 0.00 0.00 42.46 42.00 3kpq s ILE 124 CO 0.07 -0.10 0.25 0.00 -1.91 0.00 0.00 174.94 173.26 3kpq s ALA 125 N -0.50 -0.59 0.12 1.50 0.00 -0.76 0.03 121.76 121.56 3kpq s ALA 125 Ca -0.06 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.60 3kpq s ALA 125 Cb -0.04 -0.64 -0.10 0.00 0.00 0.00 0.00 23.12 22.34 3kpq s ALA 125 CO 0.03 -0.20 1.80 -1.17 0.00 0.00 0.00 175.76 176.22 3kpq s LEU 126 N 1.22 4.39 0.86 0.00 2.96 0.63 -0.93 118.68 127.81 3kpq s LEU 126 Ca -0.09 2.72 -0.11 0.00 -0.22 0.00 0.00 54.13 56.43 3kpq s LEU 126 Cb -0.10 -3.57 0.11 0.00 0.50 0.00 0.00 46.19 43.13 3kpq s LEU 126 CO -0.08 -0.98 1.09 0.20 -1.32 0.00 0.00 176.35 175.26 3kpq s ASN 127 N 2.60 3.75 0.62 3.68 0.01 0.26 -4.54 114.94 121.32 3kpq s ASN 127 Ca 0.79 1.66 0.35 0.00 -0.71 0.00 0.00 52.86 54.95 3kpq s ASN 127 Cb -0.45 -2.33 2.01 0.00 0.41 0.00 0.00 41.25 40.88 3kpq s ASN 127 CO 0.35 -2.49 2.27 -0.08 -1.51 0.00 0.00 177.10 175.64 3kpq h GLU 128 N -1.44 0.00 0.00 -0.60 4.81 -1.88 -0.55 114.58 114.92 3kpq h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kpq h GLU 128 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3kpq h GLU 128 CO 0.52 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.40 3kpq n ASP 129 N -3.56 0.39 -2.23 1.04 5.68 -1.26 -4.79 116.55 111.83 3kpq n ASP 129 Ca -0.02 0.62 -0.18 0.00 -0.50 0.00 0.00 54.79 54.70 3kpq n ASP 129 Cb 0.12 -0.69 -0.02 0.00 -1.14 0.00 0.00 41.12 39.38 3kpq n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kpq n LEU 130 N -1.96 -1.63 0.00 -2.12 4.77 -0.22 -4.79 117.00 111.06 3kpq n LEU 130 Ca 0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3kpq n LEU 130 Cb 0.15 -2.68 0.00 0.00 -2.33 0.00 0.00 43.42 38.57 3kpq n LEU 130 CO 0.14 -0.35 0.00 -1.54 -1.33 0.00 0.00 177.39 174.31 3kpq n SER 131 N -1.77 0.00 -4.17 -1.43 3.41 -1.26 -4.37 113.62 104.02 3kpq n SER 131 Ca -0.21 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.28 3kpq n SER 131 Cb 0.65 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.52 3kpq n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kpq s SER 132 N -0.02 0.18 0.17 4.04 1.04 -1.26 -4.84 113.70 113.01 3kpq s SER 132 Ca 0.00 -1.31 0.09 0.00 0.48 0.00 0.00 55.95 55.21 3kpq s SER 132 Cb 0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 3kpq s SER 132 CO 0.00 -0.82 -0.20 0.26 0.98 0.00 0.00 173.24 173.45 3kpq s TRP 133 N -4.12 1.97 -0.25 5.02 0.52 -1.26 -0.58 118.94 120.24 3kpq s TRP 133 Ca 0.34 -0.43 -0.03 0.00 0.02 0.00 0.00 56.10 56.00 3kpq s TRP 133 Cb 0.07 -0.99 0.02 0.00 -1.15 0.00 0.00 33.47 31.41 3kpq s TRP 133 CO 0.09 0.37 -0.03 0.99 0.02 0.00 0.00 176.95 178.38 3kpq s THR 134 N -1.82 3.15 -0.08 2.01 2.01 -0.10 -4.86 115.64 115.95 3kpq s THR 134 Ca 0.16 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 3kpq s THR 134 Cb -0.07 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 3kpq s THR 134 CO 0.07 0.23 0.33 0.00 -0.69 0.00 0.00 174.62 174.56 3kpq s ALA 135 N 1.38 3.68 -0.33 7.40 0.00 -1.26 -1.83 121.76 130.80 3kpq s ALA 135 Ca 0.02 -0.37 0.21 0.00 0.00 0.00 0.00 51.96 51.82 3kpq s ALA 135 Cb -0.16 -2.34 0.19 0.00 0.00 0.00 0.00 23.12 20.82 3kpq s ALA 135 CO -0.03 0.34 1.43 0.00 0.00 0.00 0.00 175.76 177.50 3kpq h ALA 136 N 5.54 0.82 -3.09 0.00 0.00 -1.16 -3.47 119.26 117.90 3kpq h ALA 136 Ca -0.48 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 3kpq h ALA 136 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kpq h ALA 136 CO 0.66 0.18 0.12 -0.40 0.00 0.00 0.00 179.25 179.81 3kpq n ASP 137 N -3.03 -1.65 0.24 0.00 5.68 -1.26 -5.04 116.55 111.49 3kpq n ASP 137 Ca 0.02 -2.37 0.11 0.00 -0.50 0.00 0.00 54.79 52.05 3kpq n ASP 137 Cb 0.59 2.82 0.61 0.00 -1.14 0.00 0.00 41.12 44.01 3kpq n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kpq h THR 138 N 1.81 0.59 0.33 2.12 1.35 -1.98 -1.24 112.91 115.89 3kpq h THR 138 Ca -0.26 -0.79 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 3kpq h THR 138 Cb 1.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3kpq h THR 138 CO 0.33 0.17 -0.16 0.00 -0.25 0.00 0.00 175.52 175.62 3kpq h ALA 139 N 1.83 -0.44 -0.92 6.62 0.00 -1.97 -3.13 119.26 121.25 3kpq h ALA 139 Ca -0.00 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.90 3kpq h ALA 139 Cb 0.50 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3kpq h ALA 139 CO 0.02 -0.54 0.59 0.00 0.00 0.00 0.00 179.25 179.33 3kpq h ALA 140 N -0.41 1.98 -0.06 0.00 0.00 -1.78 -0.82 119.26 118.17 3kpq h ALA 140 Ca -0.04 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kpq h ALA 140 Cb 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kpq h ALA 140 CO 0.07 -0.27 0.05 1.96 0.00 0.00 0.00 179.25 181.06 3kpq h GLN 141 N 0.57 0.00 -0.30 0.00 4.20 -1.21 0.43 115.11 118.80 3kpq h GLN 141 Ca 0.48 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.14 3kpq h GLN 141 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 3kpq h GLN 141 CO -0.22 0.00 -0.01 0.82 -0.67 0.00 0.00 178.83 178.75 3kpq h ILE 142 N 0.00 1.26 -0.46 2.54 1.08 -1.09 -1.81 117.51 119.03 3kpq h ILE 142 Ca 0.03 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 3kpq h ILE 142 Cb 0.13 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 3kpq h ILE 142 CO -0.00 0.31 0.25 0.74 -0.69 0.00 0.00 178.15 178.76 3kpq h THR 143 N 0.32 1.17 -0.31 -0.27 2.02 -1.27 -2.52 112.91 112.05 3kpq h THR 143 Ca 0.08 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.89 3kpq h THR 143 Cb 0.45 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3kpq h THR 143 CO 0.02 0.18 -0.05 -0.61 0.37 0.00 0.00 175.52 175.43 3kpq h GLN 144 N 0.60 0.03 -0.41 6.66 4.15 -0.00 -0.05 115.11 126.09 3kpq h GLN 144 Ca 0.16 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.63 3kpq h GLN 144 Cb 0.06 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 3kpq h GLN 144 CO -0.03 0.02 0.12 0.00 -1.93 0.00 0.00 178.83 177.02 3kpq h ARG 145 N 0.03 0.27 -0.26 1.69 3.08 -1.25 0.21 114.38 118.14 3kpq h ARG 145 Ca 0.15 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.22 3kpq h ARG 145 Cb 0.22 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3kpq h ARG 145 CO -0.29 0.18 0.01 0.87 -1.07 0.00 0.00 179.97 179.67 3kpq h LYS 146 N 0.28 0.10 -0.24 0.04 1.57 -0.98 -1.47 116.57 115.86 3kpq h LYS 146 Ca 0.19 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 3kpq h LYS 146 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3kpq h LYS 146 CO -0.22 0.06 -0.50 -1.49 -0.57 0.00 0.00 179.45 176.73 3kpq h TRP 147 N 0.10 0.84 -0.55 -1.35 4.06 -0.68 -1.57 115.95 116.78 3kpq h TRP 147 Ca 0.12 -0.28 0.03 0.00 2.06 0.00 0.00 58.89 60.82 3kpq h TRP 147 Cb 0.15 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 3kpq h TRP 147 CO -0.19 1.04 0.33 0.93 -3.56 0.00 0.00 178.44 176.99 3kpq h GLU 148 N 0.53 0.64 -0.75 0.49 5.08 -0.56 0.10 114.58 120.11 3kpq h GLU 148 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kpq h GLU 148 Cb 1.06 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 3kpq h GLU 148 CO 0.10 0.42 0.39 0.00 -1.00 0.00 0.00 179.01 178.92 3kpq h ALA 149 N 1.25 1.26 -0.02 3.43 0.00 -1.02 -2.15 119.26 122.01 3kpq h ALA 149 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kpq h ALA 149 Cb 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3kpq h ALA 149 CO -0.10 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3kpq n ALA 150 N -2.43 2.61 -3.85 0.00 0.00 -0.61 -4.94 120.51 111.29 3kpq n ALA 150 Ca 0.07 -0.37 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 3kpq n ALA 150 Cb 0.12 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.32 3kpq n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kpq n ARG 151 N -0.18 -5.05 -0.20 0.00 1.74 -0.15 -4.89 116.66 107.93 3kpq n ARG 151 Ca 0.20 0.58 -0.08 0.00 -0.77 0.00 0.00 57.85 57.79 3kpq n ARG 151 Cb 0.28 -5.28 0.02 0.00 -1.02 0.00 0.00 32.46 26.46 3kpq n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kpq h VAL 152 N -1.97 1.22 -0.33 1.55 2.07 -1.36 -3.13 116.25 114.31 3kpq h VAL 152 Ca -0.60 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.33 3kpq h VAL 152 Cb 1.37 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3kpq h VAL 152 CO 0.63 0.26 -0.11 0.00 0.02 0.00 0.00 177.57 178.37 3kpq h ALA 153 N 1.08 0.17 -0.84 1.67 0.00 -1.90 0.39 119.26 119.84 3kpq h ALA 153 Ca 0.19 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.42 3kpq h ALA 153 Cb 0.18 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 3kpq h ALA 153 CO -0.02 -0.49 0.31 0.93 0.00 0.00 0.00 179.25 179.98 3kpq h GLU 154 N -0.05 0.35 0.06 0.00 3.07 -1.74 0.14 114.58 116.41 3kpq h GLU 154 Ca 0.16 -0.02 -0.27 0.00 -0.50 0.00 0.00 59.36 58.73 3kpq h GLU 154 Cb 0.29 -0.08 0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3kpq h GLU 154 CO -0.36 0.23 -1.13 1.96 -1.40 0.00 0.00 179.01 178.31 3kpq h GLN 155 N 0.36 0.57 -0.18 2.33 4.20 -1.14 -2.24 115.11 119.01 3kpq h GLN 155 Ca 0.50 -0.70 0.04 0.00 0.06 0.00 0.00 58.65 58.56 3kpq h GLN 155 Cb 0.91 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 3kpq h GLN 155 CO -0.52 1.29 -0.10 -0.44 -0.67 0.00 0.00 178.83 178.40 3kpq h ASP 156 N 0.28 -0.32 -0.71 1.46 5.19 -0.57 -2.48 116.42 119.27 3kpq h ASP 156 Ca -0.15 0.07 0.11 0.00 -0.62 0.00 0.00 57.03 56.45 3kpq h ASP 156 Cb 1.79 0.17 -0.08 0.00 0.18 0.00 0.00 39.33 41.40 3kpq h ASP 156 CO 0.21 -0.13 0.32 -0.09 -3.12 0.00 0.00 179.24 176.43 3kpq h ARG 157 N -0.08 0.51 -0.80 3.56 2.43 -0.65 0.13 114.38 119.48 3kpq h ARG 157 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3kpq h ARG 157 Cb 0.23 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3kpq h ARG 157 CO -0.23 0.34 0.51 0.00 -1.51 0.00 0.00 179.97 179.08 3kpq h ALA 158 N 1.46 1.01 -0.09 2.80 0.00 -1.23 0.46 119.26 123.67 3kpq h ALA 158 Ca 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3kpq h ALA 158 Cb 0.45 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kpq h ALA 158 CO -0.31 0.45 -0.05 -0.92 0.00 0.00 0.00 179.25 178.41 3kpq h TYR 159 N 1.08 0.22 -0.63 0.00 3.20 -0.85 -2.30 116.97 117.70 3kpq h TYR 159 Ca 0.29 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3kpq h TYR 159 Cb -0.09 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 3kpq h TYR 159 CO -0.01 0.56 0.27 -0.07 -1.64 0.00 0.00 178.16 177.27 3kpq h LEU 160 N -0.19 0.82 0.00 2.82 3.38 -0.46 -0.30 115.31 121.39 3kpq h LEU 160 Ca 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3kpq h LEU 160 Cb 0.51 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kpq h LEU 160 CO 0.01 0.73 -0.28 -0.33 0.09 0.00 0.00 178.44 178.66 3kpq h GLU 161 N 0.90 0.00 0.00 1.13 5.08 -0.96 -3.31 114.58 117.41 3kpq h GLU 161 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kpq h GLU 161 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kpq h GLU 161 CO -0.02 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 3kpq n GLY 162 N 1.15 0.26 0.28 -3.84 0.00 -0.86 -4.70 105.19 97.46 3kpq n GLY 162 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 3kpq n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpq h LEU 163 N 0.00 0.38 0.32 0.99 5.85 -1.55 -0.84 115.31 120.46 3kpq h LEU 163 Ca 0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kpq h LEU 163 Cb 0.00 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3kpq h LEU 163 CO 0.00 0.39 -0.19 0.00 -0.34 0.00 0.00 178.44 178.30 3kpq h VAL 165 N -0.49 1.37 -0.05 0.00 -1.51 -1.56 -2.16 116.25 111.86 3kpq h VAL 165 Ca -0.04 -1.77 -0.02 0.00 -1.23 0.00 0.00 66.70 63.64 3kpq h VAL 165 Cb 0.40 1.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3kpq h VAL 165 CO 0.04 0.51 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.51 3kpq h GLU 166 N 0.02 0.12 -0.33 5.19 5.08 -1.00 -1.84 114.58 121.82 3kpq h GLU 166 Ca -0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3kpq h GLU 166 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3kpq h GLU 166 CO 0.07 0.59 0.12 0.66 -1.00 0.00 0.00 179.01 179.45 3kpq h SER 167 N -0.35 0.46 -0.62 1.42 4.64 -1.23 -2.28 113.55 115.58 3kpq h SER 167 Ca 0.01 -0.18 0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3kpq h SER 167 Cb 0.57 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 3kpq h SER 167 CO 0.01 0.51 0.34 0.25 -0.87 0.00 0.00 176.83 177.07 3kpq h LEU 168 N 0.38 0.49 -0.89 5.97 5.85 -1.41 0.12 115.31 125.81 3kpq h LEU 168 Ca 0.11 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kpq h LEU 168 Cb 0.21 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3kpq h LEU 168 CO -0.01 0.32 0.59 0.03 -0.34 0.00 0.00 178.44 179.04 3kpq h ARG 169 N 0.63 1.17 -0.37 1.25 3.08 -1.28 0.11 114.38 118.97 3kpq h ARG 169 Ca 0.28 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 3kpq h ARG 169 Cb 0.18 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3kpq h ARG 169 CO -0.18 0.78 0.11 -0.09 -1.07 0.00 0.00 179.97 179.52 3kpq h ARG 170 N 1.21 0.58 -0.65 0.04 2.43 -0.87 -2.43 114.38 114.70 3kpq h ARG 170 Ca 0.33 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3kpq h ARG 170 Cb -0.13 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 3kpq h ARG 170 CO -0.07 0.60 0.41 1.88 -1.51 0.00 0.00 179.97 181.28 3kpq h TYR 171 N 0.45 0.85 -0.84 2.20 0.05 -0.42 0.44 116.97 119.70 3kpq h TYR 171 Ca 0.12 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.93 3kpq h TYR 171 Cb 0.27 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 3kpq h TYR 171 CO 0.01 0.56 0.55 -0.07 -1.05 0.00 0.00 178.16 178.16 3kpq h LEU 172 N 0.88 0.90 -0.06 3.88 3.38 -0.73 0.27 115.31 123.85 3kpq h LEU 172 Ca 0.24 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3kpq h LEU 172 Cb -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3kpq h LEU 172 CO -0.05 0.63 -0.17 -0.08 0.09 0.00 0.00 178.44 178.87 3kpq h GLU 173 N 1.05 0.21 -0.09 1.13 4.57 -1.04 -2.29 114.58 118.13 3kpq h GLU 173 Ca 0.33 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.28 3kpq h GLU 173 Cb 0.01 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3kpq h GLU 173 CO -0.09 0.77 -0.29 -0.91 -1.18 0.00 0.00 179.01 177.31 3kpq h ASN 174 N -0.31 0.16 -0.72 1.04 2.35 -0.56 -2.90 115.58 114.64 3kpq h ASN 174 Ca -0.00 -0.05 -0.46 0.00 -0.55 0.00 0.00 56.30 55.24 3kpq h ASN 174 Cb 0.79 -0.04 -0.26 0.00 0.05 0.00 0.00 38.32 38.85 3kpq h ASN 174 CO 0.04 0.46 0.13 0.61 -1.65 0.00 0.00 177.43 177.01 3kpq n GLY 175 N -0.54 5.45 0.24 2.83 0.00 0.92 -4.76 105.19 109.34 3kpq n GLY 175 Ca -0.01 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.26 3kpq n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kpq h LYS 176 N 1.54 0.00 0.00 1.61 2.10 -1.19 0.45 116.57 121.08 3kpq h LYS 176 Ca 0.43 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.04 3kpq h LYS 176 Cb 1.59 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.91 3kpq h LYS 176 CO 0.92 0.13 -0.19 0.93 -2.00 0.00 0.00 179.45 179.24 3kpq h GLU 177 N 0.00 0.00 0.00 0.07 5.08 -1.87 -3.19 114.58 114.67 3kpq h GLU 177 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kpq h GLU 177 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3kpq h GLU 177 CO 0.02 0.19 -1.07 0.25 -1.00 0.00 0.00 179.01 177.39 3kpq n THR 178 N -3.71 0.07 0.14 1.13 -2.24 -0.61 -4.45 114.28 104.62 3kpq n THR 178 Ca -0.01 -0.02 -0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3kpq n THR 178 Cb 0.30 -1.25 0.24 0.00 -2.10 0.00 0.00 70.33 67.52 3kpq n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kpq h LEU 179 N -0.03 0.08 -3.73 3.22 3.38 -0.33 -2.79 115.31 115.11 3kpq h LEU 179 Ca -0.03 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 3kpq h LEU 179 Cb 1.03 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 3kpq h LEU 179 CO -0.02 0.55 0.25 0.00 0.09 0.00 0.00 178.44 179.31 3kpq n GLN 180 N -3.96 3.85 -4.47 1.13 6.02 -1.20 -4.85 117.38 113.89 3kpq n GLN 180 Ca -0.02 -3.11 -0.32 0.00 -0.01 0.00 0.00 57.00 53.54 3kpq n GLN 180 Cb 0.51 -2.23 -0.16 0.00 1.02 0.00 0.00 30.24 29.38 3kpq n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kpq s ARG 181 N -2.98 2.90 -0.16 -1.09 3.52 -1.05 -4.97 118.95 115.12 3kpq s ARG 181 Ca 0.55 -0.81 -0.13 0.00 -0.13 0.00 0.00 55.73 55.22 3kpq s ARG 181 Cb 0.44 -2.40 -0.05 0.00 -1.56 0.00 0.00 34.95 31.38 3kpq s ARG 181 CO 0.14 -0.08 0.26 0.00 -0.81 0.00 0.00 175.30 174.80 3kpq s ALA 182 N 0.99 3.63 -0.26 6.12 0.00 -1.26 -4.77 121.76 126.21 3kpq s ALA 182 Ca -0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 3kpq s ALA 182 Cb -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 3kpq s ALA 182 CO -0.05 0.15 0.13 -0.51 0.00 0.00 0.00 175.76 175.48 3kpq s ASP 183 N 0.29 5.63 0.66 0.00 1.01 0.72 -4.79 116.67 120.19 3kpq s ASP 183 Ca 0.15 -0.09 -0.15 0.00 0.71 0.00 0.00 52.55 53.18 3kpq s ASP 183 Cb -0.13 -2.03 -0.00 0.00 1.01 0.00 0.00 42.92 41.77 3kpq s ASP 183 CO 0.03 -0.03 1.10 -2.16 0.21 0.00 0.00 175.17 174.31 3kpq s PRO 184 N 1.62 2.87 0.37 8.23 0.04 -1.26 -1.37 135.00 145.50 3kpq s PRO 184 Ca 0.07 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.15 3kpq s PRO 184 Cb -0.15 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3kpq s PRO 184 CO 0.07 -1.18 1.28 -1.25 0.04 0.00 0.00 177.00 175.96 3kpq s PRO 185 N -4.19 4.16 -0.16 0.56 0.04 -1.26 -4.26 135.00 129.89 3kpq s PRO 185 Ca 0.65 2.13 -0.24 0.00 0.04 0.00 0.00 61.00 63.59 3kpq s PRO 185 Cb -0.19 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 3kpq s PRO 185 CO 0.42 -0.32 0.78 0.15 0.04 0.00 0.00 177.00 178.07 3kpq s LYS 186 N -2.03 4.30 -0.01 4.56 1.02 0.10 -4.86 119.74 122.83 3kpq s LYS 186 Ca 0.53 0.92 0.06 0.00 0.02 0.00 0.00 55.97 57.50 3kpq s LYS 186 Cb -0.38 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.36 3kpq s LYS 186 CO 0.49 -0.25 -0.19 0.95 -0.92 0.00 0.00 175.35 175.43 3kpq s THR 187 N 1.90 1.51 0.17 2.17 -4.23 -1.26 -1.18 115.64 114.71 3kpq s THR 187 Ca 0.36 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.84 3kpq s THR 187 Cb -0.17 -1.27 0.03 0.00 1.34 0.00 0.00 72.50 72.44 3kpq s THR 187 CO 0.13 0.39 0.47 -1.38 -0.54 0.00 0.00 174.62 173.69 3kpq s HIS 188 N -0.50 -0.15 -0.17 3.99 -3.43 -1.12 -5.01 115.29 108.91 3kpq s HIS 188 Ca 0.07 -0.18 -0.02 0.00 -0.80 0.00 0.00 55.06 54.14 3kpq s HIS 188 Cb -0.08 0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 31.40 3kpq s HIS 188 CO -0.00 -0.83 -0.10 0.08 -2.00 0.00 0.00 174.74 171.89 3kpq s VAL 189 N -3.85 3.15 0.27 -5.38 1.01 -1.26 -0.90 120.40 113.44 3kpq s VAL 189 Ca 0.07 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3kpq s VAL 189 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3kpq s VAL 189 CO -0.06 0.49 0.37 0.42 0.00 0.00 0.00 175.10 176.32 3kpq s THR 190 N 0.81 4.82 -0.10 3.92 -4.23 0.44 -4.66 115.64 116.64 3kpq s THR 190 Ca -0.03 -1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.43 3kpq s THR 190 Cb -0.15 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.04 3kpq s THR 190 CO 0.01 -0.28 -0.04 -2.28 -0.54 0.00 0.00 174.62 171.49 3kpq s HIS 191 N -2.06 1.14 -0.25 3.99 2.46 -1.26 -1.73 115.29 117.59 3kpq s HIS 191 Ca 0.37 -0.52 -0.02 0.00 0.47 0.00 0.00 55.06 55.36 3kpq s HIS 191 Cb -0.09 -1.05 0.08 0.00 -0.13 0.00 0.00 32.58 31.39 3kpq s HIS 191 CO 0.29 -0.45 0.05 -1.01 -2.47 0.00 0.00 174.74 171.15 3kpq s HIS 192 N 1.82 1.47 0.24 3.88 3.76 -0.57 -5.00 115.29 120.90 3kpq s HIS 192 Ca 0.05 -1.33 -0.31 0.00 -0.15 0.00 0.00 55.06 53.33 3kpq s HIS 192 Cb -0.13 -1.37 -0.14 0.00 1.11 0.00 0.00 32.58 32.05 3kpq s HIS 192 CO -0.07 -0.74 1.20 -2.30 -0.85 0.00 0.00 174.74 171.98 3kpq n PRO 193 N 4.92 1.56 -0.05 8.40 -0.02 -1.26 -0.04 135.00 148.51 3kpq n PRO 193 Ca -0.07 0.55 -0.04 0.00 -2.02 0.00 0.00 63.50 61.93 3kpq n PRO 193 Cb 0.45 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 3kpq n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kpq n ILE 194 N 1.15 0.71 -3.82 4.25 2.08 0.32 -4.82 119.36 119.22 3kpq n ILE 194 Ca 0.12 -0.50 -0.03 0.00 0.56 0.00 0.00 62.75 62.89 3kpq n ILE 194 Cb 0.30 -0.48 0.02 0.00 -0.75 0.00 0.00 39.64 38.72 3kpq n ILE 194 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3kpq n SER 195 N -2.38 -1.60 0.23 4.38 3.41 -0.70 -4.94 113.62 112.02 3kpq n SER 195 Ca -0.17 -1.89 0.18 0.00 -0.26 0.00 0.00 58.87 56.73 3kpq n SER 195 Cb 0.81 2.62 0.86 0.00 -0.26 0.00 0.00 64.21 68.23 3kpq n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kpq h ASP 196 N 1.74 0.00 0.00 4.04 3.32 -2.04 -3.15 116.42 120.33 3kpq h ASP 196 Ca -0.25 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 3kpq h ASP 196 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3kpq h ASP 196 CO 0.33 0.00 -1.79 1.41 -1.72 0.00 0.00 179.24 177.47 3kpq n HIS 197 N -3.43 0.00 -3.85 4.55 8.25 -1.26 -4.76 115.22 114.71 3kpq n HIS 197 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 3kpq n HIS 197 Cb 0.38 -0.45 -0.11 0.00 1.12 0.00 0.00 29.99 30.92 3kpq n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kpq s GLU 198 N -2.90 0.37 0.03 -0.41 2.02 -1.19 -1.36 118.70 115.25 3kpq s GLU 198 Ca -0.06 -0.17 0.04 0.00 0.02 0.00 0.00 54.97 54.80 3kpq s GLU 198 Cb 0.09 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.45 3kpq s GLU 198 CO 0.64 -0.08 -0.13 0.14 0.02 0.00 0.00 175.26 175.86 3kpq s VAL 199 N -0.83 0.99 -0.12 2.63 -7.23 -0.47 -0.52 120.40 114.84 3kpq s VAL 199 Ca -0.09 -0.86 -0.18 0.00 -1.81 0.00 0.00 61.98 59.03 3kpq s VAL 199 Cb -0.05 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 3kpq s VAL 199 CO 0.01 0.03 0.49 -0.89 -0.31 0.00 0.00 175.10 174.43 3kpq s THR 200 N -0.74 5.18 -0.24 5.32 2.01 0.94 -0.65 115.64 127.46 3kpq s THR 200 Ca 0.01 0.97 -0.09 0.00 0.31 0.00 0.00 61.69 62.89 3kpq s THR 200 Cb -0.07 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 3kpq s THR 200 CO 0.01 0.31 0.12 -0.76 -0.69 0.00 0.00 174.62 173.61 3kpq s LEU 201 N 0.70 3.81 -0.20 4.42 1.43 0.09 -1.51 118.68 127.42 3kpq s LEU 201 Ca 0.26 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3kpq s LEU 201 Cb -0.15 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.05 3kpq s LEU 201 CO 0.10 0.03 -0.11 -0.60 0.23 0.00 0.00 176.35 176.00 3kpq s ARG 202 N 1.25 3.22 -0.33 1.70 3.52 -0.70 -1.08 118.95 126.53 3kpq s ARG 202 Ca 0.06 -0.71 -0.16 0.00 -0.13 0.00 0.00 55.73 54.79 3kpq s ARG 202 Cb -0.14 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.42 3kpq s ARG 202 CO 0.05 -0.18 0.39 0.00 -0.81 0.00 0.00 175.30 174.74 3kpq s TRP 204 N 2.09 3.45 -0.08 0.00 0.52 -0.08 -0.78 118.94 124.07 3kpq s TRP 204 Ca 0.14 0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.62 3kpq s TRP 204 Cb -0.16 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.34 3kpq s TRP 204 CO 0.12 0.63 -0.06 0.00 0.02 0.00 0.00 176.95 177.66 3kpq s ALA 205 N -1.12 1.05 0.05 0.98 0.00 0.28 -2.79 121.76 120.20 3kpq s ALA 205 Ca 0.20 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.86 3kpq s ALA 205 Cb -0.12 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 3kpq s ALA 205 CO 0.10 -0.22 -0.10 -0.51 0.00 0.00 0.00 175.76 175.02 3kpq s LEU 206 N 1.36 2.23 0.00 0.00 1.43 -0.33 -1.10 118.68 122.27 3kpq s LEU 206 Ca -0.03 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3kpq s LEU 206 Cb -0.14 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.74 3kpq s LEU 206 CO -0.03 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3kpq n GLY 207 N 1.60 0.45 3.90 -3.19 0.00 -0.94 0.00 105.19 107.02 3kpq n GLY 207 Ca -0.21 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 3kpq n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpq s PHE 208 N -2.00 3.52 -0.12 1.61 -0.71 -1.06 -4.66 117.98 114.56 3kpq s PHE 208 Ca 0.00 0.43 -0.09 0.00 -1.04 0.00 0.00 56.93 56.23 3kpq s PHE 208 Cb 0.00 -1.90 0.04 0.00 -1.21 0.00 0.00 43.02 39.95 3kpq s PHE 208 CO 0.00 0.54 0.31 -0.47 -1.34 0.00 0.00 175.22 174.26 3kpq s TYR 209 N -1.50 -0.37 1.07 3.49 6.14 -0.47 -0.38 117.35 125.32 3kpq s TYR 209 Ca 0.35 0.88 -0.18 0.00 0.64 0.00 0.00 57.07 58.76 3kpq s TYR 209 Cb -0.13 0.12 0.26 0.00 0.42 0.00 0.00 41.96 42.64 3kpq s TYR 209 CO 0.24 -0.20 1.09 -0.35 0.64 0.00 0.00 175.55 176.96 3kpq n PRO 210 N 3.38 -2.45 0.24 4.97 -0.04 -1.26 -0.20 135.00 139.63 3kpq n PRO 210 Ca -0.17 -1.72 0.09 0.00 -0.04 0.00 0.00 63.50 61.66 3kpq n PRO 210 Cb 0.56 -1.45 0.58 0.00 -0.04 0.00 0.00 33.50 33.16 3kpq n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kpq h ALA 211 N -2.42 1.34 -2.52 0.55 0.00 -1.93 -3.45 119.26 110.83 3kpq h ALA 211 Ca -0.39 -0.18 -0.53 0.00 0.00 0.00 0.00 54.91 53.81 3kpq h ALA 211 Cb 1.15 -0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.96 3kpq h ALA 211 CO 0.26 0.25 1.07 -1.91 0.00 0.00 0.00 179.25 178.92 3kpq n GLU 212 N -3.82 2.75 -3.49 0.00 4.07 -1.26 -4.97 120.64 113.92 3kpq n GLU 212 Ca -0.02 1.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.95 3kpq n GLU 212 Cb 0.30 -2.87 -0.04 0.00 -0.06 0.00 0.00 31.44 28.76 3kpq n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3kpq s ILE 213 N 2.24 0.00 -0.09 6.31 2.07 -1.26 -4.60 121.20 125.87 3kpq s ILE 213 Ca 0.80 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.05 3kpq s ILE 213 Cb -0.50 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.11 3kpq s ILE 213 CO 0.36 0.00 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.41 3kpq s THR 214 N -2.31 1.06 -0.13 4.00 2.01 -0.34 -4.98 115.64 114.95 3kpq s THR 214 Ca -0.03 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.62 3kpq s THR 214 Cb -0.01 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.49 3kpq s THR 214 CO -0.02 0.36 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.33 3kpq s LEU 215 N 1.26 1.89 0.02 4.42 1.43 -1.26 -0.52 118.68 125.92 3kpq s LEU 215 Ca -0.03 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3kpq s LEU 215 Cb -0.14 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 3kpq s LEU 215 CO -0.03 0.03 0.01 0.42 0.23 0.00 0.00 176.35 177.01 3kpq s THR 216 N 0.99 0.12 -0.10 5.49 -4.23 -0.30 -4.94 115.64 112.66 3kpq s THR 216 Ca -0.05 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 59.46 3kpq s THR 216 Cb -0.15 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 3kpq s THR 216 CO -0.03 -0.53 0.03 0.26 -0.54 0.00 0.00 174.62 173.81 3kpq s TRP 217 N -1.74 3.25 0.07 3.99 0.52 -1.26 0.93 118.94 124.70 3kpq s TRP 217 Ca -0.13 0.24 0.09 0.00 0.02 0.00 0.00 56.10 56.31 3kpq s TRP 217 Cb -0.07 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3kpq s TRP 217 CO -0.02 0.49 -0.22 -0.65 0.02 0.00 0.00 176.95 176.57 3kpq s GLN 218 N -0.78 1.84 -0.20 4.98 -0.21 -0.05 -1.22 119.66 124.02 3kpq s GLN 218 Ca 0.12 -1.11 -0.02 0.00 0.02 0.00 0.00 55.36 54.38 3kpq s GLN 218 Cb -0.12 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.82 3kpq s GLN 218 CO 0.02 0.51 -0.11 0.50 -2.12 0.00 0.00 175.29 174.09 3kpq s ARG 219 N -1.61 3.23 -1.28 2.91 3.52 0.35 -1.65 118.95 124.42 3kpq s ARG 219 Ca 0.14 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 54.95 3kpq s ARG 219 Cb -0.10 -2.80 0.06 0.00 -1.56 0.00 0.00 34.95 30.54 3kpq s ARG 219 CO 0.05 -0.16 0.46 -0.25 -0.81 0.00 0.00 175.30 174.59 3kpq n ASP 220 N 4.61 -3.93 0.00 -2.12 8.00 -0.14 -1.44 116.55 121.53 3kpq n ASP 220 Ca -0.19 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 54.98 3kpq n ASP 220 Cb 0.51 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 3kpq n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpq n GLY 221 N -1.17 0.77 3.56 0.44 0.00 -1.26 -5.05 105.19 102.48 3kpq n GLY 221 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3kpq n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kpq s GLU 222 N -0.38 3.01 0.18 1.61 2.12 -0.52 -5.01 118.70 119.71 3kpq s GLU 222 Ca 0.00 -0.54 -0.31 0.00 0.36 0.00 0.00 54.97 54.48 3kpq s GLU 222 Cb 0.00 -2.68 -0.10 0.00 0.26 0.00 0.00 34.13 31.61 3kpq s GLU 222 CO 0.00 0.55 1.53 -0.51 -0.54 0.00 0.00 175.26 176.29 3kpq s ASP 223 N -0.50 6.61 -0.70 -1.70 1.11 -1.26 -0.49 116.67 119.74 3kpq s ASP 223 Ca 0.08 2.62 -0.02 0.00 0.18 0.00 0.00 52.55 55.40 3kpq s ASP 223 Cb -0.12 -2.60 0.42 0.00 1.07 0.00 0.00 42.92 41.69 3kpq s ASP 223 CO 0.02 -0.79 2.00 0.00 1.18 0.00 0.00 175.17 177.58 3kpq n GLN 224 N 3.58 2.74 -0.21 8.23 1.13 -0.36 -4.80 117.38 127.70 3kpq n GLN 224 Ca 0.12 -3.39 0.00 0.00 -1.94 0.00 0.00 57.00 51.79 3kpq n GLN 224 Cb 0.39 -2.28 0.08 0.00 0.11 0.00 0.00 30.24 28.53 3kpq n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3kpq h THR 225 N 1.32 0.39 0.00 5.09 2.02 -1.92 -0.30 112.91 119.51 3kpq h THR 225 Ca 0.59 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.67 3kpq h THR 225 Cb 0.63 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3kpq h THR 225 CO 1.52 0.00 -0.42 -0.61 0.37 0.00 0.00 175.52 176.39 3kpq h GLN 226 N 0.03 0.00 -0.53 6.66 5.75 -1.99 -3.09 115.11 121.93 3kpq h GLN 226 Ca 0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3kpq h GLN 226 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 3kpq h GLN 226 CO -0.63 0.42 0.00 -0.25 -2.65 0.00 0.00 178.83 175.72 3kpq n ASP 227 N -3.73 3.42 -4.61 -0.69 8.00 -0.42 -4.91 116.55 113.61 3kpq n ASP 227 Ca -0.01 -2.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.13 3kpq n ASP 227 Cb 0.49 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.14 3kpq n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpq s THR 228 N -1.01 5.19 -0.29 -3.53 2.01 -0.26 -4.41 115.64 113.34 3kpq s THR 228 Ca 0.36 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 62.23 3kpq s THR 228 Cb 0.19 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.26 3kpq s THR 228 CO 0.24 0.32 0.84 -0.70 -0.69 0.00 0.00 174.62 174.63 3kpq s GLU 229 N 1.32 4.04 -0.19 4.92 2.12 0.44 -4.91 118.70 126.44 3kpq s GLU 229 Ca 0.07 0.75 0.01 0.00 0.36 0.00 0.00 54.97 56.16 3kpq s GLU 229 Cb -0.15 -3.71 0.04 0.00 0.26 0.00 0.00 34.13 30.58 3kpq s GLU 229 CO 0.06 -0.66 -0.10 -1.17 -0.54 0.00 0.00 175.26 172.85 3kpq s LEU 230 N 3.01 2.12 0.48 2.70 2.96 -1.26 0.40 118.68 129.10 3kpq s LEU 230 Ca 0.35 -0.82 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 3kpq s LEU 230 Cb -0.14 -1.18 -0.07 0.00 0.50 0.00 0.00 46.19 45.30 3kpq s LEU 230 CO 0.11 -0.14 0.91 0.68 -1.32 0.00 0.00 176.35 176.59 3kpq s VAL 231 N 1.44 4.64 0.34 1.68 -7.23 -1.06 -5.02 120.40 115.19 3kpq s VAL 231 Ca -0.00 0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 60.85 3kpq s VAL 231 Cb -0.16 -3.74 -0.11 0.00 0.56 0.00 0.00 36.38 32.94 3kpq s VAL 231 CO -0.08 -0.67 1.48 -1.61 -0.31 0.00 0.00 175.10 173.91 3kpq s GLU 232 N -4.09 4.16 0.17 4.82 0.41 -1.26 -4.60 118.70 118.32 3kpq s GLU 232 Ca 0.56 2.50 -0.33 0.00 -0.41 0.00 0.00 54.97 57.29 3kpq s GLU 232 Cb -0.10 -3.01 -0.13 0.00 -1.78 0.00 0.00 34.13 29.11 3kpq s GLU 232 CO 0.33 -0.50 1.66 2.41 -0.49 0.00 0.00 175.26 178.67 3kpq n THR 233 N 1.07 0.03 -4.54 3.63 -1.04 -1.26 -4.84 114.28 107.34 3kpq n THR 233 Ca 0.03 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.05 61.80 3kpq n THR 233 Cb 0.39 -1.76 -0.14 0.00 -1.82 0.00 0.00 70.33 67.01 3kpq n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kpq s ARG 234 N 1.19 1.22 0.19 -2.82 1.70 -0.23 -4.95 118.95 115.25 3kpq s ARG 234 Ca 0.78 -0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 54.87 3kpq s ARG 234 Cb -0.60 -1.30 -0.08 0.00 -0.57 0.00 0.00 34.95 32.41 3kpq s ARG 234 CO 0.36 0.33 1.12 -1.25 -1.08 0.00 0.00 175.30 174.78 3kpq s PRO 235 N -1.15 4.58 0.25 3.89 0.04 -1.26 -0.45 135.00 140.89 3kpq s PRO 235 Ca 0.05 1.76 0.14 0.00 0.04 0.00 0.00 61.00 62.99 3kpq s PRO 235 Cb -0.08 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.21 3kpq s PRO 235 CO 0.02 0.06 1.41 0.00 0.04 0.00 0.00 177.00 178.52 3kpq h ALA 236 N 5.00 0.62 0.00 8.56 0.00 -1.10 -3.47 119.26 128.88 3kpq h ALA 236 Ca -0.45 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3kpq h ALA 236 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kpq h ALA 236 CO 0.72 0.73 0.00 0.41 0.00 0.00 0.00 179.25 181.11 3kpq n GLY 237 N 1.25 0.39 0.46 0.00 0.00 -1.26 -4.94 105.19 101.09 3kpq n GLY 237 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3kpq n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kpq n ASP 238 N 0.00 2.59 0.00 1.61 5.68 -1.26 -4.93 116.55 120.24 3kpq n ASP 238 Ca 0.00 -3.29 0.00 0.00 -0.50 0.00 0.00 54.79 51.00 3kpq n ASP 238 Cb 0.00 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 3kpq n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3kpq n ARG 239 N -1.15 0.00 -2.68 0.11 1.85 -1.26 -5.04 116.66 108.49 3kpq n ARG 239 Ca 0.20 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.84 3kpq n ARG 239 Cb 0.75 -0.25 0.04 0.00 -1.05 0.00 0.00 32.46 31.95 3kpq n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kpq s THR 240 N -2.24 2.64 0.27 8.89 -4.23 -1.26 -4.87 115.64 114.84 3kpq s THR 240 Ca 0.00 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.88 3kpq s THR 240 Cb 0.00 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.84 3kpq s THR 240 CO 0.00 0.00 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.65 3kpq s PHE 241 N -2.75 1.93 0.03 3.99 0.40 0.49 -0.47 117.98 121.60 3kpq s PHE 241 Ca 0.58 -0.68 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 3kpq s PHE 241 Cb -0.10 -1.08 -0.02 0.00 0.51 0.00 0.00 43.02 42.33 3kpq s PHE 241 CO 0.38 0.29 -0.10 -0.65 0.70 0.00 0.00 175.22 175.84 3kpq s GLN 242 N -3.72 0.69 -0.07 0.44 -0.21 0.40 -2.21 119.66 114.98 3kpq s GLN 242 Ca 0.29 -0.66 -0.19 0.00 0.02 0.00 0.00 55.36 54.82 3kpq s GLN 242 Cb 0.03 -0.61 0.04 0.00 1.00 0.00 0.00 33.01 33.47 3kpq s GLN 242 CO 0.11 0.14 0.44 0.21 -2.12 0.00 0.00 175.29 174.08 3kpq s LYS 243 N -1.12 0.72 0.11 2.91 2.20 -0.26 -1.06 119.74 123.23 3kpq s LYS 243 Ca -0.02 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 3kpq s LYS 243 Cb -0.08 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 3kpq s LYS 243 CO 0.01 -0.18 -0.09 1.67 -0.36 0.00 0.00 175.35 176.40 3kpq s TRP 244 N -0.82 1.03 -0.06 4.03 1.48 -1.26 -0.56 118.94 122.79 3kpq s TRP 244 Ca -0.09 -0.77 0.03 0.00 -1.06 0.00 0.00 56.10 54.21 3kpq s TRP 244 Cb -0.03 -0.56 0.01 0.00 -1.16 0.00 0.00 33.47 31.72 3kpq s TRP 244 CO 0.04 -0.04 -0.15 0.00 -4.06 0.00 0.00 176.95 172.75 3kpq s ALA 245 N -3.08 1.41 -0.03 2.67 0.00 0.04 -2.56 121.76 120.21 3kpq s ALA 245 Ca 0.10 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.60 3kpq s ALA 245 Cb 0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3kpq s ALA 245 CO -0.02 0.17 -0.24 0.00 0.00 0.00 0.00 175.76 175.67 3kpq s ALA 246 N 0.47 2.03 0.02 0.00 0.00 0.16 0.10 121.76 124.54 3kpq s ALA 246 Ca -0.12 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.85 3kpq s ALA 246 Cb -0.15 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 3kpq s ALA 246 CO 0.04 0.48 -0.14 0.54 0.00 0.00 0.00 175.76 176.67 3kpq s VAL 247 N -0.49 1.13 -0.23 0.00 0.11 -0.24 -0.42 120.40 120.26 3kpq s VAL 247 Ca 0.07 -0.82 -0.15 0.00 -2.93 0.00 0.00 61.98 58.15 3kpq s VAL 247 Cb -0.10 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 3kpq s VAL 247 CO -0.00 0.15 0.35 -0.69 -3.33 0.00 0.00 175.10 171.59 3kpq s VAL 248 N -0.61 5.21 0.05 2.04 1.01 -1.26 -0.73 120.40 126.11 3kpq s VAL 248 Ca 0.04 0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.67 3kpq s VAL 248 Cb -0.07 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3kpq s VAL 248 CO 0.00 0.23 -0.21 0.68 0.00 0.00 0.00 175.10 175.80 3kpq s VAL 249 N 1.54 1.72 0.36 2.92 -7.23 0.18 -4.95 120.40 114.93 3kpq s VAL 249 Ca 0.16 -1.25 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 3kpq s VAL 249 Cb -0.15 -1.49 -0.12 0.00 0.56 0.00 0.00 36.38 35.18 3kpq s VAL 249 CO 0.08 0.20 1.34 -2.65 -0.31 0.00 0.00 175.10 173.76 3kpq n PRO 250 N 1.78 2.27 -1.59 4.82 -0.02 -1.26 -1.37 135.00 139.62 3kpq n PRO 250 Ca -0.17 0.79 -0.51 0.00 -2.02 0.00 0.00 63.50 61.59 3kpq n PRO 250 Cb 0.53 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 3kpq n PRO 250 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kpq n SER 251 N 0.65 1.64 0.00 2.55 2.88 -0.47 -1.65 113.62 119.22 3kpq n SER 251 Ca 0.04 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3kpq n SER 251 Cb 0.37 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 3kpq n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kpq n GLY 252 N 2.45 2.57 1.30 0.46 0.00 -1.26 -4.87 105.19 105.84 3kpq n GLY 252 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3kpq n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kpq n GLU 253 N -2.00 2.90 -0.22 1.61 1.02 -0.66 -4.63 120.64 118.66 3kpq n GLU 253 Ca 0.00 -2.42 0.19 0.00 -0.02 0.00 0.00 57.16 54.92 3kpq n GLU 253 Cb 0.00 -1.64 0.53 0.00 -0.02 0.00 0.00 31.44 30.31 3kpq n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kpq h GLU 254 N 3.72 0.35 -0.00 3.49 3.07 -1.90 -1.67 114.58 121.65 3kpq h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3kpq h GLU 254 Cb 1.06 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 3kpq h GLU 254 CO 0.09 0.23 -0.01 1.04 -1.40 0.00 0.00 179.01 178.96 3kpq n GLN 255 N -4.48 0.60 0.00 2.33 1.13 -1.26 -2.29 117.38 113.41 3kpq n GLN 255 Ca 0.18 -0.04 0.14 0.00 -1.94 0.00 0.00 57.00 55.34 3kpq n GLN 255 Cb 0.69 -1.50 0.65 0.00 0.11 0.00 0.00 30.24 30.19 3kpq n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kpq n ARG 256 N -1.17 0.14 -4.49 -1.09 1.74 -0.63 -4.86 116.66 106.30 3kpq n ARG 256 Ca 0.17 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.92 3kpq n ARG 256 Cb 0.22 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.04 3kpq n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kpq s TYR 257 N -2.86 3.01 -0.02 -1.55 1.51 -0.97 -0.97 117.35 115.50 3kpq s TYR 257 Ca 0.18 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.16 3kpq s TYR 257 Cb 0.19 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 3kpq s TYR 257 CO 0.50 0.18 -0.07 0.95 -1.11 0.00 0.00 175.55 176.00 3kpq s THR 258 N -0.29 0.64 -0.05 -0.71 -4.23 -0.66 -4.62 115.64 105.73 3kpq s THR 258 Ca 0.05 -0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 3kpq s THR 258 Cb -0.13 -0.58 -0.05 0.00 1.34 0.00 0.00 72.50 73.09 3kpq s THR 258 CO 0.02 0.20 0.31 0.00 -0.54 0.00 0.00 174.62 174.61 3kpq s HIS 260 N -0.99 2.00 -0.13 0.00 3.76 0.26 0.07 115.29 120.26 3kpq s HIS 260 Ca 0.20 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 3kpq s HIS 260 Cb -0.15 -1.38 0.02 0.00 1.11 0.00 0.00 32.58 32.18 3kpq s HIS 260 CO 0.10 -0.32 -0.17 0.08 -0.85 0.00 0.00 174.74 173.58 3kpq s VAL 261 N 0.42 1.66 -0.11 -0.90 1.01 -0.54 -1.16 120.40 120.78 3kpq s VAL 261 Ca -0.15 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3kpq s VAL 261 Cb -0.16 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 3kpq s VAL 261 CO 0.06 0.47 -0.21 -1.10 0.00 0.00 0.00 175.10 174.32 3kpq s GLN 262 N 1.09 3.15 -0.15 2.72 -0.21 0.32 -1.94 119.66 124.63 3kpq s GLN 262 Ca -0.03 -0.82 -0.28 0.00 0.02 0.00 0.00 55.36 54.24 3kpq s GLN 262 Cb -0.14 -2.41 0.07 0.00 1.00 0.00 0.00 33.01 31.53 3kpq s GLN 262 CO -0.04 0.17 0.71 -1.58 -2.12 0.00 0.00 175.29 172.43 3kpq s HIS 263 N 0.38 -0.71 -0.58 0.91 2.46 -1.26 -1.20 115.29 115.30 3kpq s HIS 263 Ca -0.16 1.48 0.19 0.00 0.47 0.00 0.00 55.06 57.04 3kpq s HIS 263 Cb -0.17 0.35 0.86 0.00 -0.13 0.00 0.00 32.58 33.49 3kpq s HIS 263 CO 0.07 -0.50 1.60 -0.85 -2.47 0.00 0.00 174.74 172.59 3kpq n GLU 264 N 1.71 0.13 0.00 2.88 0.28 -1.26 -1.27 120.64 123.11 3kpq n GLU 264 Ca -0.17 0.43 0.13 0.00 -0.16 0.00 0.00 57.16 57.40 3kpq n GLU 264 Cb 0.56 -1.78 0.43 0.00 1.43 0.00 0.00 31.44 32.08 3kpq n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kpq n GLY 265 N -0.36 -1.25 3.68 -1.84 0.00 -1.26 -4.77 105.19 99.38 3kpq n GLY 265 Ca 0.02 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3kpq n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kpq s LEU 266 N -2.90 4.15 0.53 0.99 1.43 -0.39 -4.44 118.68 118.05 3kpq s LEU 266 Ca 0.15 0.30 0.28 0.00 -1.03 0.00 0.00 54.13 53.83 3kpq s LEU 266 Cb 0.18 -2.27 1.48 0.00 0.03 0.00 0.00 46.19 45.61 3kpq s LEU 266 CO 0.60 0.03 2.09 1.55 0.23 0.00 0.00 176.35 180.85 3kpq h PRO 267 N 7.28 0.00 -2.94 1.29 0.13 -1.86 -3.44 132.00 132.47 3kpq h PRO 267 Ca -0.38 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 3kpq h PRO 267 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 3kpq h PRO 267 CO 0.70 0.11 -0.24 -1.59 -0.23 0.00 0.00 178.00 176.75 3kpq s LYS 268 N -4.23 0.68 0.42 0.86 0.00 -1.26 -5.15 119.74 111.06 3kpq s LYS 268 Ca -0.03 -0.11 -0.25 0.00 0.00 0.00 0.00 55.97 55.58 3kpq s LYS 268 Cb 0.13 0.31 -0.10 0.00 0.00 0.00 0.00 37.83 38.17 3kpq s LYS 268 CO 0.58 -0.19 1.25 -2.30 0.00 0.00 0.00 175.35 174.70 3kpq n PRO 269 N 1.36 1.87 -3.72 1.78 -0.02 -1.26 -4.97 135.00 130.03 3kpq n PRO 269 Ca -0.21 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 3kpq n PRO 269 Cb 0.56 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3kpq n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kpq s LEU 270 N -1.64 4.34 -0.14 2.45 1.43 -0.82 -4.95 118.68 119.36 3kpq s LEU 270 Ca 0.61 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 3kpq s LEU 270 Cb -0.51 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 42.80 3kpq s LEU 270 CO 0.58 0.18 -0.17 -0.89 0.23 0.00 0.00 176.35 176.28 3kpq s THR 271 N -1.42 2.56 0.13 5.49 2.01 -1.26 -1.47 115.64 121.68 3kpq s THR 271 Ca 0.32 -0.82 0.10 0.00 0.31 0.00 0.00 61.69 61.61 3kpq s THR 271 Cb -0.13 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3kpq s THR 271 CO 0.20 0.53 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.66 3kpq s LEU 272 N 0.63 2.46 0.15 4.42 1.02 0.11 -4.93 118.68 122.55 3kpq s LEU 272 Ca -0.09 -0.68 0.04 0.00 0.02 0.00 0.00 54.13 53.41 3kpq s LEU 272 Cb -0.16 -1.34 -0.05 0.00 0.02 0.00 0.00 46.19 44.67 3kpq s LEU 272 CO 0.03 0.18 -0.07 -0.13 0.02 0.00 0.00 176.35 176.37 3kpq s ARG 273 N -2.10 1.07 0.09 1.70 0.52 -1.26 0.28 118.95 119.25 3kpq s ARG 273 Ca 0.16 -1.47 -0.31 0.00 -0.52 0.00 0.00 55.73 53.58 3kpq s ARG 273 Cb -0.10 -0.53 -0.08 0.00 0.52 0.00 0.00 34.95 34.76 3kpq s ARG 273 CO 0.08 0.02 1.55 -0.46 0.02 0.00 0.00 175.30 176.50 3kpq s TRP 274 N -3.41 2.82 -0.83 -0.53 -0.00 -1.26 -4.60 118.94 111.11 3kpq s TRP 274 Ca 0.18 0.59 -0.01 0.00 -0.00 0.00 0.00 56.10 56.87 3kpq s TRP 274 Cb 0.04 -3.86 0.20 0.00 -0.00 0.00 0.00 33.47 29.85 3kpq s TRP 274 CO 0.01 -3.27 0.69 -1.21 -0.00 0.00 0.00 176.95 173.18 3kpq s GLU 275 N 1.90 3.06 0.00 5.86 0.41 -1.26 -5.00 118.70 123.67 3kpq s GLU 275 Ca 0.70 -3.20 0.10 0.00 -0.41 0.00 0.00 54.97 52.16 3kpq s GLU 275 Cb -0.39 -3.84 0.58 0.00 -1.78 0.00 0.00 34.13 28.70 3kpq s GLU 275 CO 0.31 -1.26 1.03 -0.35 -0.49 0.00 0.00 175.26 174.50