#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk1 n ALA 2 N 0.00 1.00 -2.89 0.00 0.00 -1.26 -4.92 120.51 112.45 1qk1 n ALA 2 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 1qk1 n ALA 2 Cb 0.00 -2.54 0.03 0.00 0.00 0.00 0.00 19.45 16.94 1qk1 n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qk1 n SER 3 N 6.91 -1.63 0.00 0.00 3.41 -1.26 -4.96 113.62 116.08 1qk1 n SER 3 Ca 0.22 -3.29 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1qk1 n SER 3 Cb 0.31 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1qk1 n SER 3 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qk1 n GLU 4 N 0.98 0.00 0.03 4.33 4.71 -1.26 -0.86 120.64 128.57 1qk1 n GLU 4 Ca 0.13 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.17 1qk1 n GLU 4 Cb 0.64 -1.33 -0.13 0.00 -1.01 0.00 0.00 31.44 29.61 1qk1 n GLU 4 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1qk1 h ARG 5 N 0.00 0.08 -7.34 3.49 2.47 -2.00 -3.47 114.38 107.61 1qk1 h ARG 5 Ca 0.00 -0.13 -0.50 0.00 -1.26 0.00 0.00 59.98 58.08 1qk1 h ARG 5 Cb 0.00 0.05 0.12 0.00 -1.65 0.00 0.00 29.97 28.49 1qk1 h ARG 5 CO 0.00 0.85 0.32 1.03 0.56 0.00 0.00 179.97 182.73 1qk1 s ARG 6 N -2.64 2.25 0.19 0.04 1.81 -0.04 -5.06 118.95 115.50 1qk1 s ARG 6 Ca -0.05 0.95 0.06 0.00 -1.72 0.00 0.00 55.73 54.98 1qk1 s ARG 6 Cb 0.08 -1.91 -0.04 0.00 -0.45 0.00 0.00 34.95 32.63 1qk1 s ARG 6 CO 0.83 -1.59 0.12 1.03 -0.68 0.00 0.00 175.30 175.01 1qk1 s ARG 7 N -4.99 2.78 0.14 3.54 1.81 -1.26 -5.08 118.95 115.88 1qk1 s ARG 7 Ca 0.61 -0.99 -0.02 0.00 -1.72 0.00 0.00 55.73 53.61 1qk1 s ARG 7 Cb -0.16 -2.54 -0.05 0.00 -0.45 0.00 0.00 34.95 31.75 1qk1 s ARG 7 CO 0.56 0.45 0.33 -0.51 -0.68 0.00 0.00 175.30 175.45 1qk1 s LEU 8 N -3.29 4.28 0.13 2.53 1.43 -1.26 -5.04 118.68 117.46 1qk1 s LEU 8 Ca 0.31 0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 53.51 1qk1 s LEU 8 Cb -0.09 -3.15 -0.10 0.00 0.03 0.00 0.00 46.19 42.88 1qk1 s LEU 8 CO 0.23 0.05 1.68 -0.31 0.23 0.00 0.00 176.35 178.23 1qk1 s TYR 9 N -1.69 2.62 0.72 0.29 2.02 -1.26 -4.93 117.35 115.11 1qk1 s TYR 9 Ca 0.38 0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 57.28 1qk1 s TYR 9 Cb -0.12 -4.03 0.03 0.00 -0.40 0.00 0.00 41.96 37.45 1qk1 s TYR 9 CO 0.27 -4.03 1.15 -1.25 -1.57 0.00 0.00 175.55 170.12 1qk1 s PRO 10 N 2.01 2.33 0.26 -1.71 0.04 -1.26 -4.88 135.00 131.79 1qk1 s PRO 10 Ca 0.74 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 63.25 1qk1 s PRO 10 Cb -0.44 -1.88 0.45 0.00 0.04 0.00 0.00 34.50 32.67 1qk1 s PRO 10 CO 0.33 -1.64 1.59 -1.35 0.04 0.00 0.00 177.00 175.97 1qk1 h PRO 11 N -0.36 0.02 -0.06 0.56 0.11 -1.96 0.12 132.00 130.44 1qk1 h PRO 11 Ca -0.47 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1qk1 h PRO 11 Cb 1.27 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qk1 h PRO 11 CO 0.51 0.01 0.08 0.77 -0.21 0.00 0.00 178.00 179.16 1qk1 h SER 12 N 0.02 0.00 0.80 -2.05 0.02 -1.94 -0.34 113.55 110.06 1qk1 h SER 12 Ca 0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1qk1 h SER 12 Cb 0.74 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 1qk1 h SER 12 CO -0.87 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 174.74 1qk1 h ALA 13 N 1.89 1.05 -0.01 3.77 0.00 -1.09 -2.63 119.26 122.25 1qk1 h ALA 13 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qk1 h ALA 13 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qk1 h ALA 13 CO -0.00 0.11 -0.51 0.39 0.00 0.00 0.00 179.25 179.24 1qk1 n GLU 14 N -3.27 1.21 -1.70 0.00 -0.58 -0.16 -5.00 120.64 111.16 1qk1 n GLU 14 Ca -0.00 -0.84 -0.44 0.00 -0.42 0.00 0.00 57.16 55.46 1qk1 n GLU 14 Cb 0.31 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 1qk1 n GLU 14 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1qk1 n TYR 15 N -0.22 2.44 -2.35 -0.32 9.36 -0.99 -4.96 117.16 120.12 1qk1 n TYR 15 Ca 0.08 0.33 -0.33 0.00 3.32 0.00 0.00 57.90 61.30 1qk1 n TYR 15 Cb 0.42 -2.53 -0.02 0.00 -0.63 0.00 0.00 39.34 36.59 1qk1 n TYR 15 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1qk1 s PRO 16 N -0.17 3.63 -0.62 2.98 0.04 -1.26 -4.98 135.00 134.62 1qk1 s PRO 16 Ca 0.69 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 1qk1 s PRO 16 Cb -0.59 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 31.93 1qk1 s PRO 16 CO 0.47 -0.56 0.95 0.34 0.04 0.00 0.00 177.00 178.23 1qk1 s ASP 17 N -2.35 6.22 -0.25 6.66 -1.08 -1.26 -4.87 116.67 119.73 1qk1 s ASP 17 Ca 0.65 -0.81 0.13 0.00 -0.52 0.00 0.00 52.55 52.00 1qk1 s ASP 17 Cb -0.16 -2.42 0.56 0.00 -1.46 0.00 0.00 42.92 39.44 1qk1 s ASP 17 CO 0.27 -1.37 1.51 0.18 0.52 0.00 0.00 175.17 176.28 1qk1 n LEU 18 N 7.60 4.36 0.25 -1.34 4.77 -1.26 -4.74 117.00 126.64 1qk1 n LEU 18 Ca -0.02 -3.33 0.07 0.00 -0.03 0.00 0.00 56.01 52.70 1qk1 n LEU 18 Cb 0.46 -0.61 0.60 0.00 -2.33 0.00 0.00 43.42 41.54 1qk1 n LEU 18 CO 0.64 0.90 1.01 0.03 -1.33 0.00 0.00 177.39 178.64 1qk1 h ARG 19 N 1.60 0.00 -0.50 3.23 3.08 -2.00 -2.57 114.38 117.21 1qk1 h ARG 19 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1qk1 h ARG 19 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1qk1 h ARG 19 CO 0.38 0.06 0.00 1.63 -1.07 0.00 0.00 179.97 180.97 1qk1 n LYS 20 N -4.43 3.19 -3.03 0.04 5.02 -1.26 -5.02 118.16 112.66 1qk1 n LYS 20 Ca -0.03 -2.58 -0.31 0.00 -2.02 0.00 0.00 58.31 53.37 1qk1 n LYS 20 Cb 0.14 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 1qk1 n LYS 20 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1qk1 s HIS 21 N -1.60 3.42 -0.42 2.13 3.76 -0.97 -4.88 115.29 116.72 1qk1 s HIS 21 Ca 0.40 1.10 0.05 0.00 -0.15 0.00 0.00 55.06 56.46 1qk1 s HIS 21 Cb 0.25 -2.47 0.18 0.00 1.11 0.00 0.00 32.58 31.65 1qk1 s HIS 21 CO 0.21 0.01 0.39 -1.71 -0.85 0.00 0.00 174.74 172.79 1qk1 n ASN 22 N -0.79 -0.78 -3.64 1.40 5.15 0.71 -4.98 115.26 112.32 1qk1 n ASN 22 Ca 0.03 -2.45 -0.11 0.00 -0.60 0.00 0.00 54.58 51.45 1qk1 n ASN 22 Cb 0.53 -0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 39.43 1qk1 n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1qk1 s ASN 23 N 0.07 -0.23 0.27 1.20 2.20 -1.26 -3.74 114.94 113.45 1qk1 s ASN 23 Ca 0.33 -0.31 -0.00 0.00 -0.94 0.00 0.00 52.86 51.94 1qk1 s ASN 23 Cb 0.04 0.46 0.54 0.00 -2.00 0.00 0.00 41.25 40.29 1qk1 s ASN 23 CO -0.18 -0.83 1.80 0.00 -2.94 0.00 0.00 177.10 174.95 1qk1 h MET 25 N 0.82 -0.04 -0.13 0.00 1.85 -1.46 -1.99 114.93 113.98 1qk1 h MET 25 Ca 0.48 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.53 1qk1 h MET 25 Cb 0.56 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 1qk1 h MET 25 CO -0.30 -0.03 -0.09 0.00 -0.40 0.00 0.00 176.91 176.09 1qk1 h ALA 26 N 1.09 1.62 0.00 0.39 0.00 -1.71 -1.39 119.26 119.26 1qk1 h ALA 26 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qk1 h ALA 26 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qk1 h ALA 26 CO -0.17 0.28 0.00 0.43 0.00 0.00 0.00 179.25 179.80 1qk1 n SER 27 N -4.33 0.52 0.00 0.00 7.64 -0.78 -3.75 113.62 112.92 1qk1 n SER 27 Ca -0.01 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1qk1 n SER 27 Cb 0.22 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1qk1 n SER 27 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1qk1 n HIS 28 N -2.05 0.00 -2.62 1.43 8.25 -0.83 -5.01 115.22 114.40 1qk1 n HIS 28 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1qk1 n HIS 28 Cb 0.27 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 1qk1 n HIS 28 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1qk1 s LEU 29 N -1.76 4.47 0.16 2.41 2.96 -0.58 -4.99 118.68 121.35 1qk1 s LEU 29 Ca 0.00 1.90 0.02 0.00 -0.22 0.00 0.00 54.13 55.84 1qk1 s LEU 29 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1qk1 s LEU 29 CO 0.00 -0.18 -0.02 0.42 -1.32 0.00 0.00 176.35 175.25 1qk1 s THR 30 N 0.14 0.75 0.28 3.68 -4.23 -1.26 -4.98 115.64 110.02 1qk1 s THR 30 Ca 0.50 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1qk1 s THR 30 Cb -0.26 -2.05 0.28 0.00 1.34 0.00 0.00 72.50 71.81 1qk1 s THR 30 CO 0.31 -0.55 1.89 -0.65 -0.54 0.00 0.00 174.62 175.09 1qk1 h PRO 31 N 2.72 1.08 -0.37 3.99 0.11 -1.99 -0.72 132.00 136.83 1qk1 h PRO 31 Ca -0.37 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1qk1 h PRO 31 Cb 1.20 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1qk1 h PRO 31 CO 0.63 0.71 0.18 0.00 -0.21 0.00 0.00 178.00 179.32 1qk1 h ALA 32 N 1.48 0.48 -0.35 -0.75 0.00 -1.99 -0.91 119.26 117.23 1qk1 h ALA 32 Ca 0.42 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1qk1 h ALA 32 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qk1 h ALA 32 CO -0.17 0.04 -0.10 0.28 0.00 0.00 0.00 179.25 179.31 1qk1 h VAL 33 N 0.46 1.28 -0.36 0.00 2.07 -1.85 -1.97 116.25 115.89 1qk1 h VAL 33 Ca 0.13 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1qk1 h VAL 33 Cb 0.12 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1qk1 h VAL 33 CO -0.02 0.38 0.20 0.22 0.02 0.00 0.00 177.57 178.38 1qk1 h TYR 34 N 0.46 0.37 -0.44 1.57 3.20 -0.98 -1.28 116.97 119.87 1qk1 h TYR 34 Ca 0.09 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1qk1 h TYR 34 Cb 0.61 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1qk1 h TYR 34 CO 0.05 0.21 0.02 0.00 -1.64 0.00 0.00 178.16 176.81 1qk1 h ALA 35 N 1.17 1.21 -0.14 1.82 0.00 -1.11 0.56 119.26 122.77 1qk1 h ALA 35 Ca 0.15 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1qk1 h ALA 35 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1qk1 h ALA 35 CO -0.08 0.52 -0.48 -0.09 0.00 0.00 0.00 179.25 179.13 1qk1 h ARG 36 N 0.67 0.36 0.00 0.00 2.43 -0.88 -3.34 114.38 113.63 1qk1 h ARG 36 Ca 0.14 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1qk1 h ARG 36 Cb 0.38 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1qk1 h ARG 36 CO 0.01 0.77 -1.40 1.28 -1.51 0.00 0.00 179.97 179.12 1qk1 n LEU 37 N -3.98 0.40 0.16 3.80 4.77 -0.53 -4.54 117.00 117.08 1qk1 n LEU 37 Ca -0.02 -0.23 0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1qk1 n LEU 37 Cb 0.54 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.20 1qk1 n LEU 37 CO 0.44 0.10 0.82 0.00 -1.33 0.00 0.00 177.39 177.42 1qk1 n ASP 39 N -2.23 0.30 -4.81 0.00 8.00 -1.26 -4.84 116.55 111.71 1qk1 n ASP 39 Ca -0.01 -0.09 -0.32 0.00 0.71 0.00 0.00 54.79 55.08 1qk1 n ASP 39 Cb 0.05 1.54 0.03 0.00 -0.02 0.00 0.00 41.12 42.72 1qk1 n ASP 39 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qk1 s LYS 40 N -3.40 3.11 0.03 -1.24 1.02 -0.58 -5.07 119.74 113.60 1qk1 s LYS 40 Ca -0.04 1.12 -0.11 0.00 0.02 0.00 0.00 55.97 56.96 1qk1 s LYS 40 Cb 0.14 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.45 1qk1 s LYS 40 CO 0.88 -0.97 0.23 -0.08 -0.92 0.00 0.00 175.35 174.49 1qk1 s THR 41 N -2.69 0.10 0.54 2.17 -1.32 -1.26 -4.52 115.64 108.65 1qk1 s THR 41 Ca 0.61 -0.78 -0.01 0.00 -1.21 0.00 0.00 61.69 60.30 1qk1 s THR 41 Cb -0.15 -0.87 0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1qk1 s THR 41 CO 0.45 -0.43 0.78 0.42 -2.21 0.00 0.00 174.62 173.63 1qk1 s THR 42 N -2.39 3.15 0.55 5.08 -4.23 -0.85 -4.92 115.64 112.04 1qk1 s THR 42 Ca -0.06 -0.49 0.29 0.00 -1.18 0.00 0.00 61.69 60.24 1qk1 s THR 42 Cb -0.02 -3.20 0.43 0.00 1.34 0.00 0.00 72.50 71.05 1qk1 s THR 42 CO -0.03 -0.16 1.93 -0.65 -0.54 0.00 0.00 174.62 175.18 1qk1 h PRO 43 N 0.07 0.00 -0.66 3.99 0.11 -1.97 0.14 132.00 133.68 1qk1 h PRO 43 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1qk1 h PRO 43 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1qk1 h PRO 43 CO 0.56 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 1qk1 n THR 44 N -4.18 1.77 -0.68 -1.15 -2.24 -1.26 -4.95 114.28 101.59 1qk1 n THR 44 Ca 0.13 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1qk1 n THR 44 Cb 0.77 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1qk1 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qk1 n GLY 45 N 1.12 0.69 3.75 3.38 0.00 0.49 -5.05 105.19 109.57 1qk1 n GLY 45 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1qk1 n GLY 45 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qk1 s TRP 46 N -2.25 3.33 0.41 1.61 -0.11 -1.26 -4.70 118.94 115.97 1qk1 s TRP 46 Ca 0.00 1.46 0.07 0.00 1.22 0.00 0.00 56.10 58.85 1qk1 s TRP 46 Cb 0.00 -3.49 -0.06 0.00 -1.50 0.00 0.00 33.47 28.41 1qk1 s TRP 46 CO 0.00 -1.34 0.10 0.95 -4.62 0.00 0.00 176.95 172.04 1qk1 s THR 47 N -0.66 2.18 0.16 5.86 -4.23 -1.26 -2.00 115.64 115.69 1qk1 s THR 47 Ca 0.50 -1.84 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 1qk1 s THR 47 Cb -0.35 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.54 1qk1 s THR 47 CO 0.43 -0.01 1.72 0.25 -0.54 0.00 0.00 174.62 176.47 1qk1 h LEU 48 N 1.59 0.70 -1.19 4.79 5.85 -1.82 -2.06 115.31 123.17 1qk1 h LEU 48 Ca -0.43 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.15 1qk1 h LEU 48 Cb 1.25 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1qk1 h LEU 48 CO 0.75 0.66 0.55 0.44 -0.34 0.00 0.00 178.44 180.50 1qk1 h ASP 49 N 0.70 0.94 0.36 1.25 3.32 -1.94 -1.51 116.42 119.54 1qk1 h ASP 49 Ca 0.17 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1qk1 h ASP 49 Cb 0.17 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1qk1 h ASP 49 CO -0.02 0.67 -0.43 1.56 -1.72 0.00 0.00 179.24 179.30 1qk1 h GLN 50 N 1.11 0.10 -0.11 3.56 4.20 -1.86 -1.43 115.11 120.68 1qk1 h GLN 50 Ca 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1qk1 h GLN 50 Cb -0.09 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1qk1 h GLN 50 CO -0.08 0.52 0.03 0.00 -0.67 0.00 0.00 178.83 178.63 1qk1 n ILE 52 N -4.87 0.00 -0.23 0.00 -5.35 -0.86 -1.67 119.36 106.38 1qk1 n ILE 52 Ca -0.06 -0.12 0.04 0.00 -0.27 0.00 0.00 62.75 62.33 1qk1 n ILE 52 Cb 0.15 0.31 0.14 0.00 -1.74 0.00 0.00 39.64 38.50 1qk1 n ILE 52 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1qk1 h GLN 53 N 1.18 0.18 -0.49 6.28 5.75 -1.32 0.14 115.11 126.83 1qk1 h GLN 53 Ca 0.00 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1qk1 h GLN 53 Cb 0.48 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1qk1 h GLN 53 CO 0.00 0.12 0.29 0.00 -2.65 0.00 0.00 178.83 176.59 1qk1 h THR 54 N 0.18 1.15 0.00 2.39 1.03 -1.78 -0.69 112.91 115.19 1qk1 h THR 54 Ca 0.37 -0.34 -0.09 0.00 -0.01 0.00 0.00 66.41 66.35 1qk1 h THR 54 Cb 0.63 0.46 -0.01 0.00 -1.07 0.00 0.00 68.15 68.16 1qk1 h THR 54 CO -0.53 0.16 -0.42 1.23 -0.01 0.00 0.00 175.52 175.95 1qk1 h GLY 55 N 0.73 0.00 1.04 2.99 0.00 0.08 -1.65 103.07 106.27 1qk1 h GLY 55 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.24 1qk1 h GLY 55 CO -0.03 0.00 -1.16 -2.08 0.00 0.00 0.00 176.54 173.27 1qk1 h VAL 56 N 0.00 1.36 0.00 4.60 2.07 -0.37 -3.32 116.25 120.60 1qk1 h VAL 56 Ca -0.00 -2.54 -0.06 0.00 0.82 0.00 0.00 66.70 64.92 1qk1 h VAL 56 Cb 0.85 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1qk1 h VAL 56 CO 0.05 0.75 -0.28 0.44 0.02 0.00 0.00 177.57 178.55 1qk1 h ASP 57 N 0.01 0.00 -4.15 0.57 5.19 -1.07 -3.39 116.42 113.58 1qk1 h ASP 57 Ca -0.19 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.58 1qk1 h ASP 57 Cb 1.88 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.99 1qk1 h ASP 57 CO 0.22 0.28 -0.66 0.20 -3.12 0.00 0.00 179.24 176.16 1qk1 s ASN 58 N -6.47 4.35 0.50 6.45 0.01 -0.63 -4.95 114.94 114.20 1qk1 s ASN 58 Ca -0.02 -2.79 0.22 0.00 -0.71 0.00 0.00 52.86 49.57 1qk1 s ASN 58 Cb 0.12 -1.58 1.28 0.00 0.41 0.00 0.00 41.25 41.49 1qk1 s ASN 58 CO 0.66 -0.27 1.96 -0.65 -1.51 0.00 0.00 177.10 177.30 1qk1 h PRO 59 N 6.77 0.14 0.00 -0.60 0.11 -1.76 -3.44 132.00 133.21 1qk1 h PRO 59 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1qk1 h PRO 59 Cb 0.92 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1qk1 h PRO 59 CO 0.64 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 1qk1 n GLY 60 N -1.61 -1.16 3.84 -0.55 0.00 -1.26 -0.21 105.19 104.25 1qk1 n GLY 60 Ca 0.12 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 1qk1 n GLY 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qk1 s HIS 61 N -1.89 3.38 0.24 1.61 2.46 -1.23 -4.69 115.29 115.17 1qk1 s HIS 61 Ca 0.00 1.36 0.21 0.00 0.47 0.00 0.00 55.06 57.10 1qk1 s HIS 61 Cb 0.00 -2.66 0.93 0.00 -0.13 0.00 0.00 32.58 30.72 1qk1 s HIS 61 CO 0.00 -0.08 1.85 -1.35 -2.47 0.00 0.00 174.74 172.69 1qk1 h PRO 62 N 1.78 0.00 0.00 2.88 0.11 -1.92 -3.33 132.00 131.52 1qk1 h PRO 62 Ca -0.48 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 1qk1 h PRO 62 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1qk1 h PRO 62 CO 0.63 0.28 -1.39 1.19 -0.21 0.00 0.00 178.00 178.50 1qk1 n PHE 63 N -3.59 0.92 -3.38 0.65 3.72 -1.26 -4.88 117.46 109.64 1qk1 n PHE 63 Ca -0.01 0.40 -0.38 0.00 -0.05 0.00 0.00 57.45 57.41 1qk1 n PHE 63 Cb 0.41 -1.09 -0.06 0.00 -0.94 0.00 0.00 39.48 37.80 1qk1 n PHE 63 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1qk1 s ILE 64 N -2.38 5.11 -0.21 4.37 -5.25 -1.25 -5.06 121.20 116.52 1qk1 s ILE 64 Ca -0.30 0.92 -0.06 0.00 -0.99 0.00 0.00 60.65 60.23 1qk1 s ILE 64 Cb 0.07 -3.78 -0.02 0.00 2.95 0.00 0.00 42.46 41.67 1qk1 s ILE 64 CO 0.58 0.42 0.02 -0.75 -1.79 0.00 0.00 174.94 173.42 1qk1 s LYS 65 N -0.03 3.62 0.51 0.37 2.20 -1.26 -3.56 119.74 121.59 1qk1 s LYS 65 Ca 0.25 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 1qk1 s LYS 65 Cb -0.16 -3.14 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1qk1 s LYS 65 CO 0.12 -0.05 0.76 0.95 -0.36 0.00 0.00 175.35 176.77 1qk1 s THR 66 N 1.17 3.72 -0.01 3.43 -4.23 -1.25 -4.88 115.64 113.60 1qk1 s THR 66 Ca 0.03 -0.34 -0.25 0.00 -1.18 0.00 0.00 61.69 59.95 1qk1 s THR 66 Cb -0.14 -3.41 -0.20 0.00 1.34 0.00 0.00 72.50 70.08 1qk1 s THR 66 CO 0.02 -0.34 1.29 0.58 -0.54 0.00 0.00 174.62 175.62 1qk1 h VAL 67 N 0.16 1.38 0.00 2.29 2.07 -1.94 0.59 116.25 120.79 1qk1 h VAL 67 Ca -0.45 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1qk1 h VAL 67 Cb 1.26 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1qk1 h VAL 67 CO 0.58 0.30 0.00 0.61 0.02 0.00 0.00 177.57 179.08 1qk1 n GLY 68 N 0.19 0.61 3.52 2.17 0.00 -1.26 -1.32 105.19 109.10 1qk1 n GLY 68 Ca -0.08 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1qk1 n GLY 68 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1qk1 s MET 69 N -0.54 0.96 0.23 1.61 0.23 -1.26 -1.77 119.30 118.76 1qk1 s MET 69 Ca 0.00 0.16 0.05 0.00 -1.03 0.00 0.00 55.69 54.87 1qk1 s MET 69 Cb 0.00 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 1qk1 s MET 69 CO 0.00 -0.32 -0.06 0.14 -2.03 0.00 0.00 175.02 172.75 1qk1 s VAL 70 N -1.44 1.36 -0.04 5.16 -7.23 -0.67 -4.51 120.40 113.03 1qk1 s VAL 70 Ca -0.07 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 57.94 1qk1 s VAL 70 Cb -0.00 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1qk1 s VAL 70 CO 0.06 -0.44 0.20 0.00 -0.31 0.00 0.00 175.10 174.61 1qk1 s ALA 71 N -3.20 3.89 -0.15 1.32 0.00 -0.58 -4.54 121.76 118.50 1qk1 s ALA 71 Ca 0.26 -0.65 0.21 0.00 0.00 0.00 0.00 51.96 51.78 1qk1 s ALA 71 Cb 0.03 -1.98 -0.15 0.00 0.00 0.00 0.00 23.12 21.02 1qk1 s ALA 71 CO 0.08 0.67 0.75 0.41 0.00 0.00 0.00 175.76 177.67 1qk1 n GLY 72 N 1.37 -1.23 3.88 0.00 0.00 -1.26 -4.61 105.19 103.34 1qk1 n GLY 72 Ca -0.14 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 1qk1 n GLY 72 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qk1 s ASP 73 N -5.20 0.03 0.20 1.61 1.47 -1.26 -0.91 116.67 112.60 1qk1 s ASP 73 Ca -0.04 -0.83 -0.09 0.00 1.18 0.00 0.00 52.55 52.77 1qk1 s ASP 73 Cb 0.10 0.59 0.12 0.00 -0.34 0.00 0.00 42.92 43.40 1qk1 s ASP 73 CO 0.83 -1.19 1.74 -0.08 0.68 0.00 0.00 175.17 177.16 1qk1 h GLU 74 N 2.00 1.12 0.00 2.11 4.81 -1.96 -2.91 114.58 119.75 1qk1 h GLU 74 Ca -0.29 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1qk1 h GLU 74 Cb 1.22 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1qk1 h GLU 74 CO 0.38 0.95 -0.11 0.93 -0.73 0.00 0.00 179.01 180.43 1qk1 h GLU 75 N 1.06 0.00 -0.75 1.92 3.07 -2.01 -3.13 114.58 114.75 1qk1 h GLU 75 Ca 0.23 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.26 1qk1 h GLU 75 Cb 0.29 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.08 1qk1 h GLU 75 CO -0.01 0.11 0.14 1.15 -1.40 0.00 0.00 179.01 179.01 1qk1 h THR 76 N 0.00 0.46 0.00 1.13 2.02 -1.92 0.33 112.91 114.93 1qk1 h THR 76 Ca -0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1qk1 h THR 76 Cb 0.30 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1qk1 h THR 76 CO 0.01 0.04 -0.03 1.88 0.37 0.00 0.00 175.52 177.79 1qk1 h TYR 77 N 0.22 0.00 0.00 3.16 0.05 -1.74 -1.28 116.97 117.38 1qk1 h TYR 77 Ca 0.43 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.96 1qk1 h TYR 77 Cb 0.75 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.45 1qk1 h TYR 77 CO -0.30 0.03 -1.46 -1.91 -1.05 0.00 0.00 178.16 173.47 1qk1 n GLU 78 N -3.43 0.55 -0.30 4.88 2.13 -0.04 -3.30 120.64 121.13 1qk1 n GLU 78 Ca -0.02 0.48 0.02 0.00 0.66 0.00 0.00 57.16 58.29 1qk1 n GLU 78 Cb 0.15 -1.66 0.15 0.00 0.27 0.00 0.00 31.44 30.35 1qk1 n GLU 78 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1qk1 h VAL 79 N -1.00 0.96 -0.64 6.31 2.07 -1.11 -2.51 116.25 120.33 1qk1 h VAL 79 Ca -0.37 -0.29 -0.32 0.00 0.82 0.00 0.00 66.70 66.53 1qk1 h VAL 79 Cb 1.26 0.03 -0.19 0.00 -1.52 0.00 0.00 31.29 30.87 1qk1 h VAL 79 CO -0.23 0.16 0.25 0.49 0.02 0.00 0.00 177.57 178.26 1qk1 n PHE 80 N -4.69 2.00 -0.19 1.57 3.72 -0.49 -4.71 117.46 114.67 1qk1 n PHE 80 Ca 0.13 -1.66 0.16 0.00 -0.05 0.00 0.00 57.45 56.03 1qk1 n PHE 80 Cb 0.23 -0.69 0.50 0.00 -0.94 0.00 0.00 39.48 38.58 1qk1 n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qk1 h ALA 81 N 1.12 2.13 -0.00 4.37 0.00 -1.44 -1.40 119.26 124.05 1qk1 h ALA 81 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1qk1 h ALA 81 Cb 2.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.94 1qk1 h ALA 81 CO 0.71 -0.35 0.02 -0.44 0.00 0.00 0.00 179.25 179.18 1qk1 h ASP 82 N 0.42 0.00 0.00 0.00 3.32 -1.85 -0.09 116.42 118.23 1qk1 h ASP 82 Ca 0.40 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.15 1qk1 h ASP 82 Cb 0.92 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 1qk1 h ASP 82 CO -0.13 0.00 -2.08 -0.11 -1.72 0.00 0.00 179.24 175.19 1qk1 n LEU 83 N -3.07 2.43 -0.12 1.55 0.00 -0.60 -4.59 117.00 112.60 1qk1 n LEU 83 Ca -0.03 0.02 -0.09 0.00 0.00 0.00 0.00 56.01 55.91 1qk1 n LEU 83 Cb 0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 43.42 42.86 1qk1 n LEU 83 CO 0.20 0.68 0.92 -0.26 0.00 0.00 0.00 177.39 178.92 1qk1 h PHE 84 N -0.25 0.55 -0.13 1.96 0.04 -1.16 -2.99 116.94 114.96 1qk1 h PHE 84 Ca -0.45 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.33 1qk1 h PHE 84 Cb 1.58 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 39.51 1qk1 h PHE 84 CO -0.01 0.50 -0.16 -0.44 -0.60 0.00 0.00 178.31 177.59 1qk1 h ASP 85 N 0.45 -0.51 -0.86 2.17 3.32 -1.27 0.31 116.42 120.03 1qk1 h ASP 85 Ca 0.12 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.31 1qk1 h ASP 85 Cb 0.17 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 1qk1 h ASP 85 CO -0.01 -0.21 0.57 -0.65 -1.72 0.00 0.00 179.24 177.21 1qk1 h PRO 86 N -0.20 1.02 -0.23 3.56 0.11 -1.77 0.72 132.00 135.19 1qk1 h PRO 86 Ca 0.10 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 1qk1 h PRO 86 Cb 0.34 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1qk1 h PRO 86 CO -0.25 0.67 -0.06 0.28 -0.21 0.00 0.00 178.00 178.43 1qk1 h VAL 87 N 1.05 1.29 -0.71 3.15 2.07 -1.22 -2.09 116.25 119.79 1qk1 h VAL 87 Ca 0.35 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1qk1 h VAL 87 Cb 0.07 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1qk1 h VAL 87 CO -0.11 0.33 0.46 0.40 0.02 0.00 0.00 177.57 178.68 1qk1 h ILE 88 N 0.19 1.19 -0.77 4.57 2.04 0.23 -1.19 117.51 123.76 1qk1 h ILE 88 Ca 0.06 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1qk1 h ILE 88 Cb 0.53 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1qk1 h ILE 88 CO 0.02 0.18 0.38 -0.61 0.00 0.00 0.00 178.15 178.13 1qk1 h GLN 89 N 0.96 1.10 -0.30 2.37 4.15 -0.76 -0.81 115.11 121.82 1qk1 h GLN 89 Ca 0.26 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 1qk1 h GLN 89 Cb -0.10 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.39 1qk1 h GLN 89 CO -0.05 0.85 -0.22 1.49 -1.93 0.00 0.00 178.83 178.97 1qk1 h GLU 90 N 1.08 0.68 -0.22 1.69 4.81 -0.99 -1.64 114.58 119.98 1qk1 h GLU 90 Ca 0.26 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1qk1 h GLU 90 Cb 0.11 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1qk1 h GLU 90 CO -0.03 0.93 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.85 1qk1 h ARG 91 N 0.42 0.41 -0.88 1.92 9.65 -1.00 -2.86 114.38 122.04 1qk1 h ARG 91 Ca 0.06 -0.15 -0.62 0.00 -1.10 0.00 0.00 59.98 58.17 1qk1 h ARG 91 Cb 0.77 -0.03 -0.35 0.00 -1.39 0.00 0.00 29.97 28.97 1qk1 h ARG 91 CO 0.06 0.63 0.09 0.72 2.80 0.00 0.00 179.97 184.27 1qk1 n HIS 92 N -4.14 3.01 -0.47 2.20 8.25 -0.33 -4.99 115.22 118.74 1qk1 n HIS 92 Ca -0.00 -2.66 0.00 0.00 -0.26 0.00 0.00 57.72 54.80 1qk1 n HIS 92 Cb 0.38 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.55 1qk1 n HIS 92 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1qk1 n ASN 93 N -0.82 0.00 0.00 0.41 6.94 -1.08 -2.49 115.26 118.22 1qk1 n ASN 93 Ca 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.10 1qk1 n ASN 93 Cb 0.80 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.22 1qk1 n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qk1 n GLY 94 N 0.29 3.00 3.70 4.83 0.00 -0.63 -5.05 105.19 111.33 1qk1 n GLY 94 Ca 0.00 -0.82 -0.53 0.00 0.00 0.00 0.00 46.02 44.67 1qk1 n GLY 94 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qk1 n TYR 95 N 0.00 2.20 -3.67 1.61 9.36 -1.04 -4.92 117.16 120.70 1qk1 n TYR 95 Ca 0.00 0.26 -0.39 0.00 3.32 0.00 0.00 57.90 61.09 1qk1 n TYR 95 Cb 0.00 -2.57 -0.11 0.00 -0.63 0.00 0.00 39.34 36.04 1qk1 n TYR 95 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1qk1 s ASP 96 N 3.78 5.49 0.00 2.98 2.15 -1.26 -3.79 116.67 126.02 1qk1 s ASP 96 Ca 0.95 -1.56 0.05 0.00 0.43 0.00 0.00 52.55 52.43 1qk1 s ASP 96 Cb -0.87 -1.93 0.23 0.00 -0.30 0.00 0.00 42.92 40.04 1qk1 s ASP 96 CO 0.58 -0.51 1.10 -0.81 -0.17 0.00 0.00 175.17 175.37 1qk1 n PRO 97 N 4.83 0.03 0.11 4.34 -0.04 -1.26 -0.81 135.00 142.20 1qk1 n PRO 97 Ca -0.09 0.35 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 1qk1 n PRO 97 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1qk1 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qk1 h ARG 98 N 0.00 0.00 0.00 0.54 3.08 -1.94 -3.40 114.38 112.66 1qk1 h ARG 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qk1 h ARG 98 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1qk1 h ARG 98 CO 0.00 0.11 0.00 0.25 -1.07 0.00 0.00 179.97 179.26 1qk1 n THR 99 N -2.85 0.00 -4.09 2.04 -2.24 -0.88 -5.10 114.28 101.17 1qk1 n THR 99 Ca -0.01 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.32 1qk1 n THR 99 Cb 0.63 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.91 1qk1 n THR 99 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1qk1 s MET 100 N -0.35 2.38 0.07 -0.78 -1.94 0.01 -5.06 119.30 113.64 1qk1 s MET 100 Ca 0.00 -1.54 0.06 0.00 -1.71 0.00 0.00 55.69 52.50 1qk1 s MET 100 Cb 0.00 -2.19 -0.03 0.00 2.01 0.00 0.00 34.83 34.63 1qk1 s MET 100 CO 0.00 0.11 -0.16 0.15 -0.01 0.00 0.00 175.02 175.10 1qk1 s LYS 101 N -3.85 0.98 -0.14 2.03 1.02 -1.26 -4.66 119.74 113.86 1qk1 s LYS 101 Ca 0.38 -0.96 -0.05 0.00 0.02 0.00 0.00 55.97 55.36 1qk1 s LYS 101 Cb -0.03 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1qk1 s LYS 101 CO 0.23 0.25 0.04 -1.58 -0.92 0.00 0.00 175.35 173.37 1qk1 s HIS 102 N -1.10 3.25 -0.10 3.18 5.65 -0.00 -4.56 115.29 121.60 1qk1 s HIS 102 Ca 0.02 0.14 0.01 0.00 0.25 0.00 0.00 55.06 55.48 1qk1 s HIS 102 Cb -0.09 -1.95 -0.02 0.00 -1.18 0.00 0.00 32.58 29.34 1qk1 s HIS 102 CO 0.02 0.33 -0.13 -0.08 -0.65 0.00 0.00 174.74 174.23 1qk1 s THR 103 N -0.26 3.10 -0.04 0.89 -1.32 -1.26 -4.77 115.64 111.97 1qk1 s THR 103 Ca 0.07 -0.67 -0.12 0.00 -1.21 0.00 0.00 61.69 59.76 1qk1 s THR 103 Cb -0.12 -2.27 -0.05 0.00 -1.51 0.00 0.00 72.50 68.55 1qk1 s THR 103 CO 0.02 0.55 0.32 -0.89 -2.21 0.00 0.00 174.62 172.41 1qk1 s THR 104 N -0.04 5.18 -0.26 5.08 2.01 -1.26 -3.91 115.64 122.44 1qk1 s THR 104 Ca -0.03 0.64 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 1qk1 s THR 104 Cb -0.14 -3.61 0.14 0.00 0.01 0.00 0.00 72.50 68.89 1qk1 s THR 104 CO 0.04 0.59 0.35 -0.62 -0.69 0.00 0.00 174.62 174.29 1qk1 s ASP 105 N -1.07 0.74 -0.42 3.53 -1.08 -1.26 -4.97 116.67 112.14 1qk1 s ASP 105 Ca 0.21 -0.23 0.04 0.00 -0.52 0.00 0.00 52.55 52.06 1qk1 s ASP 105 Cb -0.15 0.89 0.49 0.00 -1.46 0.00 0.00 42.92 42.69 1qk1 s ASP 105 CO 0.10 -0.34 1.61 0.18 0.52 0.00 0.00 175.17 177.24 1qk1 n LEU 106 N 5.34 5.74 -4.39 -1.34 4.77 -1.26 -3.05 117.00 122.81 1qk1 n LEU 106 Ca -0.02 -4.22 -0.45 0.00 -0.03 0.00 0.00 56.01 51.29 1qk1 n LEU 106 Cb 0.49 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1qk1 n LEU 106 CO 0.03 1.56 0.74 -0.62 -1.33 0.00 0.00 177.39 177.77 1qk1 s ASP 107 N -2.52 6.73 0.64 -1.43 2.15 -1.26 -4.85 116.67 116.13 1qk1 s ASP 107 Ca 0.54 -2.42 0.36 0.00 0.43 0.00 0.00 52.55 51.45 1qk1 s ASP 107 Cb 0.45 -2.31 1.99 0.00 -0.30 0.00 0.00 42.92 42.75 1qk1 s ASP 107 CO 0.02 -0.80 2.19 0.00 -0.17 0.00 0.00 175.17 176.40 1qk1 h ALA 108 N 8.22 1.35 0.00 3.66 0.00 -1.90 -2.20 119.26 128.39 1qk1 h ALA 108 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qk1 h ALA 108 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1qk1 h ALA 108 CO 0.95 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.91 1qk1 n SER 109 N -3.32 0.34 -0.08 0.00 3.41 -1.26 -1.69 113.62 111.02 1qk1 n SER 109 Ca -0.02 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 1qk1 n SER 109 Cb 0.21 -0.67 0.60 0.00 -0.26 0.00 0.00 64.21 64.09 1qk1 n SER 109 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qk1 n LYS 110 N -1.90 0.53 -2.51 4.33 5.02 -0.83 -4.85 118.16 117.95 1qk1 n LYS 110 Ca 0.02 -0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 1qk1 n LYS 110 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1qk1 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1qk1 s ILE 111 N -2.59 4.33 -0.11 -0.18 -1.09 -0.68 -5.02 121.20 115.86 1qk1 s ILE 111 Ca 0.26 1.66 -0.05 0.00 -2.23 0.00 0.00 60.65 60.29 1qk1 s ILE 111 Cb 0.20 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1qk1 s ILE 111 CO 0.50 0.05 0.07 -0.13 -1.23 0.00 0.00 174.94 174.20 1qk1 s ARG 112 N 1.70 3.31 4.82 2.79 0.52 -1.26 -4.95 118.95 125.87 1qk1 s ARG 112 Ca 0.55 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 1qk1 s ARG 112 Cb -0.25 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1qk1 s ARG 112 CO 0.24 0.68 0.00 0.45 0.02 0.00 0.00 175.30 176.70 1qk1 n SER 113 N 2.24 0.00 0.00 0.23 2.88 -1.26 -4.94 113.62 112.77 1qk1 n SER 113 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1qk1 n SER 113 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1qk1 n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qk1 n GLY 114 N 0.00 1.32 2.93 0.46 0.00 -1.26 -4.73 105.19 103.91 1qk1 n GLY 114 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qk1 n GLY 114 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qk1 s TYR 115 N -2.00 2.86 0.50 1.61 6.14 -1.26 -1.42 117.35 123.78 1qk1 s TYR 115 Ca 0.00 -2.32 -0.18 0.00 0.64 0.00 0.00 57.07 55.22 1qk1 s TYR 115 Cb 0.00 -2.20 -0.08 0.00 0.42 0.00 0.00 41.96 40.09 1qk1 s TYR 115 CO 0.00 -0.88 0.98 -0.06 0.64 0.00 0.00 175.55 176.23 1qk1 s PHE 116 N 1.22 3.39 -0.28 4.97 0.08 0.84 -4.97 117.98 123.23 1qk1 s PHE 116 Ca 0.05 1.50 -0.28 0.00 0.12 0.00 0.00 56.93 58.32 1qk1 s PHE 116 Cb -0.19 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 1qk1 s PHE 116 CO -0.12 -0.35 1.95 0.34 -0.10 0.00 0.00 175.22 176.94 1qk1 s ASP 117 N -2.83 5.75 0.00 1.36 -1.08 -1.26 -4.53 116.67 114.07 1qk1 s ASP 117 Ca 0.60 1.55 0.05 0.00 -0.52 0.00 0.00 52.55 54.23 1qk1 s ASP 117 Cb -0.10 -2.52 0.27 0.00 -1.46 0.00 0.00 42.92 39.11 1qk1 s ASP 117 CO 0.27 -1.78 0.72 -0.62 0.52 0.00 0.00 175.17 174.27 1qk1 n GLU 118 N 8.52 0.46 0.02 4.34 1.02 -1.26 -1.70 120.64 132.04 1qk1 n GLU 118 Ca 0.25 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.52 1qk1 n GLU 118 Cb 0.46 -1.16 0.30 0.00 -0.02 0.00 0.00 31.44 31.03 1qk1 n GLU 118 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1qk1 n ARG 119 N -0.66 0.10 0.00 3.49 3.00 -1.26 -4.32 116.66 117.01 1qk1 n ARG 119 Ca 0.03 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1qk1 n ARG 119 Cb 0.02 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 30.91 1qk1 n ARG 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1qk1 n TYR 120 N -1.71 0.00 -3.26 -0.14 4.01 -0.69 -4.91 117.16 110.46 1qk1 n TYR 120 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 1qk1 n TYR 120 Cb 0.37 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 1qk1 n TYR 120 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1qk1 s VAL 121 N -1.76 5.02 0.06 -0.72 1.01 -0.98 -0.00 120.40 123.03 1qk1 s VAL 121 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1qk1 s VAL 121 Cb 0.00 -4.01 -0.31 0.00 0.00 0.00 0.00 36.38 32.06 1qk1 s VAL 121 CO 0.00 -0.32 1.09 -0.07 0.00 0.00 0.00 175.10 175.80 1qk1 h LEU 122 N 9.15 0.71 -7.25 3.92 3.38 -0.88 -3.38 115.31 120.96 1qk1 h LEU 122 Ca -0.27 -0.72 -0.05 0.00 0.09 0.00 0.00 57.88 56.93 1qk1 h LEU 122 Cb 1.12 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.49 1qk1 h LEU 122 CO 0.79 1.55 0.01 -0.94 0.09 0.00 0.00 178.44 179.94 1qk1 s SER 123 N -7.39 -0.38 -0.02 -0.43 1.04 -1.16 0.01 113.70 105.37 1qk1 s SER 123 Ca -0.07 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.38 1qk1 s SER 123 Cb 0.06 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1qk1 s SER 123 CO 0.92 -0.79 -0.14 -0.44 0.98 0.00 0.00 173.24 173.77 1qk1 s SER 124 N -2.34 1.68 -0.01 7.02 0.01 -0.46 -1.77 113.70 117.83 1qk1 s SER 124 Ca -0.02 -0.26 -0.17 0.00 1.31 0.00 0.00 55.95 56.81 1qk1 s SER 124 Cb 0.00 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1qk1 s SER 124 CO -0.06 0.15 0.36 0.00 0.41 0.00 0.00 173.24 174.10 1qk1 s ARG 125 N -0.19 0.74 -0.07 12.44 1.70 -0.45 -1.91 118.95 131.21 1qk1 s ARG 125 Ca 0.03 -0.18 0.02 0.00 -0.47 0.00 0.00 55.73 55.12 1qk1 s ARG 125 Cb -0.07 0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1qk1 s ARG 125 CO 0.00 -0.22 -0.11 0.08 -1.08 0.00 0.00 175.30 173.97 1qk1 s VAL 126 N -1.50 1.10 0.12 4.99 1.01 -0.09 -0.86 120.40 125.17 1qk1 s VAL 126 Ca -0.12 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1qk1 s VAL 126 Cb -0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1qk1 s VAL 126 CO 0.04 0.35 -0.17 -0.60 0.00 0.00 0.00 175.10 174.72 1qk1 s ARG 127 N 0.87 1.08 0.37 2.72 3.52 -0.31 -1.38 118.95 125.82 1qk1 s ARG 127 Ca -0.11 -1.20 -0.13 0.00 -0.13 0.00 0.00 55.73 54.17 1qk1 s ARG 127 Cb -0.15 -1.15 0.05 0.00 -1.56 0.00 0.00 34.95 32.14 1qk1 s ARG 127 CO 0.01 0.25 0.72 -2.37 -0.81 0.00 0.00 175.30 173.10 1qk1 n THR 128 N 0.80 0.00 -4.10 4.11 5.66 -0.49 -1.33 114.28 118.94 1qk1 n THR 128 Ca -0.17 -1.01 -0.08 0.00 -3.05 0.00 0.00 64.05 59.74 1qk1 n THR 128 Cb 0.55 0.94 -0.10 0.00 -1.55 0.00 0.00 70.33 70.18 1qk1 n THR 128 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1qk1 s GLY 129 N -2.96 0.51 -0.03 1.09 0.00 -1.26 -0.48 107.32 104.19 1qk1 s GLY 129 Ca 0.16 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 43.65 1qk1 s GLY 129 CO 0.12 -1.29 0.13 0.50 0.00 0.00 0.00 173.10 172.57 1qk1 s ARG 130 N -3.68 0.27 -0.01 2.90 1.81 -0.83 -4.94 118.95 114.46 1qk1 s ARG 130 Ca 0.06 -0.02 0.06 0.00 -1.72 0.00 0.00 55.73 54.11 1qk1 s ARG 130 Cb 0.06 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.65 1qk1 s ARG 130 CO -0.08 -0.05 -0.19 -1.12 -0.68 0.00 0.00 175.30 173.18 1qk1 s SER 131 N -0.43 3.68 -0.30 0.23 0.01 -1.26 -2.54 113.70 113.09 1qk1 s SER 131 Ca -0.05 -0.35 -0.23 0.00 1.31 0.00 0.00 55.95 56.62 1qk1 s SER 131 Cb -0.03 -0.62 -0.00 0.00 0.21 0.00 0.00 66.02 65.57 1qk1 s SER 131 CO 0.01 0.31 0.78 -0.63 0.41 0.00 0.00 173.24 174.11 1qk1 s ILE 132 N -0.77 4.80 0.42 1.44 -1.09 -1.26 -0.40 121.20 124.34 1qk1 s ILE 132 Ca 0.12 1.17 -0.26 0.00 -2.23 0.00 0.00 60.65 59.46 1qk1 s ILE 132 Cb -0.10 -4.14 -0.10 0.00 -1.58 0.00 0.00 42.46 36.54 1qk1 s ILE 132 CO 0.02 -0.24 1.36 -1.14 -1.23 0.00 0.00 174.94 173.71 1qk1 n ARG 133 N 6.18 2.16 -0.09 2.79 0.63 0.10 -2.86 116.66 125.57 1qk1 n ARG 133 Ca 0.03 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 1qk1 n ARG 133 Cb 0.48 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.89 1qk1 n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qk1 n GLY 134 N 0.68 0.98 3.29 5.14 0.00 -1.26 -4.73 105.19 109.28 1qk1 n GLY 134 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1qk1 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qk1 s LEU 135 N 0.00 2.05 0.70 0.99 1.43 -1.13 -5.12 118.68 117.59 1qk1 s LEU 135 Ca 0.00 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1qk1 s LEU 135 Cb 0.00 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1qk1 s LEU 135 CO 0.00 0.30 1.18 -0.44 0.23 0.00 0.00 176.35 177.62 1qk1 s SER 136 N -0.59 4.52 0.75 2.29 0.01 -1.26 -4.81 113.70 114.60 1qk1 s SER 136 Ca 0.09 2.25 -0.12 0.00 1.31 0.00 0.00 55.95 59.49 1qk1 s SER 136 Cb -0.09 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.60 1qk1 s SER 136 CO -0.01 -2.04 1.10 -0.76 0.41 0.00 0.00 173.24 171.95 1qk1 s LEU 137 N -5.00 2.75 0.41 2.44 1.43 -0.08 -4.43 118.68 116.19 1qk1 s LEU 137 Ca 0.72 1.18 0.26 0.00 -1.03 0.00 0.00 54.13 55.26 1qk1 s LEU 137 Cb -0.27 -3.88 1.34 0.00 0.03 0.00 0.00 46.19 43.42 1qk1 s LEU 137 CO 0.43 -1.64 1.63 -0.65 0.23 0.00 0.00 176.35 176.36 1qk1 h PRO 138 N -0.86 0.13 0.00 1.29 0.11 -1.88 -0.55 132.00 130.23 1qk1 h PRO 138 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1qk1 h PRO 138 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1qk1 h PRO 138 CO 0.62 0.08 -0.29 -1.35 -0.21 0.00 0.00 178.00 176.86 1qk1 h PRO 139 N 0.13 0.00 0.00 1.05 0.11 -1.81 -3.37 132.00 128.10 1qk1 h PRO 139 Ca 0.80 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.91 1qk1 h PRO 139 Cb 2.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.44 1qk1 h PRO 139 CO -0.48 0.29 -0.59 0.00 -0.21 0.00 0.00 178.00 177.01 1qk1 n ALA 140 N -2.37 2.01 -1.77 -0.75 0.00 -0.35 -4.72 120.51 112.56 1qk1 n ALA 140 Ca -0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 1qk1 n ALA 140 Cb 0.37 -0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.83 1qk1 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qk1 s THR 142 N -1.20 2.15 0.24 0.00 -4.23 -1.26 -4.84 115.64 106.51 1qk1 s THR 142 Ca 0.62 -0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 60.82 1qk1 s THR 142 Cb -0.44 -2.91 0.23 0.00 1.34 0.00 0.00 72.50 70.71 1qk1 s THR 142 CO 0.57 0.00 1.89 0.03 -0.54 0.00 0.00 174.62 176.57 1qk1 h ARG 143 N -0.90 1.26 -0.64 3.99 3.08 -1.99 -0.81 114.38 118.38 1qk1 h ARG 143 Ca -0.43 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.48 1qk1 h ARG 143 Cb 1.29 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 1qk1 h ARG 143 CO 0.51 0.87 0.27 0.00 -1.07 0.00 0.00 179.97 180.54 1qk1 h ALA 144 N 1.32 0.83 -0.53 0.04 0.00 -1.98 0.50 119.26 119.43 1qk1 h ALA 144 Ca 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1qk1 h ALA 144 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1qk1 h ALA 144 CO -0.07 0.43 0.20 0.93 0.00 0.00 0.00 179.25 180.75 1qk1 h GLU 145 N 0.89 0.80 -0.71 0.00 5.08 -1.80 0.19 114.58 119.03 1qk1 h GLU 145 Ca 0.21 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1qk1 h GLU 145 Cb 0.19 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1qk1 h GLU 145 CO -0.02 0.71 0.20 -0.09 -1.00 0.00 0.00 179.01 178.81 1qk1 h ARG 146 N 0.72 1.11 -0.32 2.33 2.43 -0.92 -1.64 114.38 118.10 1qk1 h ARG 146 Ca 0.18 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1qk1 h ARG 146 Cb 0.22 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1qk1 h ARG 146 CO -0.01 0.97 0.01 0.00 -1.51 0.00 0.00 179.97 179.43 1qk1 h ARG 147 N 1.05 0.50 -0.61 0.20 3.08 -0.51 -2.35 114.38 115.73 1qk1 h ARG 147 Ca 0.22 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1qk1 h ARG 147 Cb 0.34 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1qk1 h ARG 147 CO -0.00 0.52 0.04 1.49 -1.07 0.00 0.00 179.97 180.95 1qk1 h GLU 148 N 0.48 1.06 -0.08 0.04 4.57 -0.18 -0.75 114.58 119.70 1qk1 h GLU 148 Ca 0.11 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1qk1 h GLU 148 Cb 0.30 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1qk1 h GLU 148 CO 0.01 1.01 0.05 0.28 -1.18 0.00 0.00 179.01 179.18 1qk1 h VAL 149 N 0.96 1.03 0.29 0.32 2.07 -0.90 -1.03 116.25 118.99 1qk1 h VAL 149 Ca 0.18 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1qk1 h VAL 149 Cb 0.51 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1qk1 h VAL 149 CO 0.02 0.03 -0.20 -0.08 0.02 0.00 0.00 177.57 177.36 1qk1 h GLU 150 N 0.10 -0.47 -0.67 1.57 4.81 -1.22 -0.85 114.58 117.85 1qk1 h GLU 150 Ca 0.03 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1qk1 h GLU 150 Cb -0.00 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 29.37 1qk1 h GLU 150 CO -0.01 -0.31 -0.41 -0.09 -0.73 0.00 0.00 179.01 177.46 1qk1 h ARG 151 N -0.48 -0.16 -0.48 1.92 9.65 -1.03 0.34 114.38 124.14 1qk1 h ARG 151 Ca -0.03 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1qk1 h ARG 151 Cb 0.41 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 1qk1 h ARG 151 CO 0.01 -0.11 0.22 0.28 2.80 0.00 0.00 179.97 183.18 1qk1 h VAL 152 N -0.17 1.19 -0.12 0.20 2.07 -0.95 -2.53 116.25 115.95 1qk1 h VAL 152 Ca 0.22 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1qk1 h VAL 152 Cb 0.56 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1qk1 h VAL 152 CO -0.74 0.22 -0.22 0.58 0.02 0.00 0.00 177.57 177.42 1qk1 h VAL 153 N 0.63 1.38 0.00 2.57 2.07 -0.39 -2.84 116.25 119.67 1qk1 h VAL 153 Ca 0.16 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1qk1 h VAL 153 Cb 0.14 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1qk1 h VAL 153 CO -0.02 0.43 -0.05 0.58 0.02 0.00 0.00 177.57 178.53 1qk1 h VAL 154 N -0.05 0.65 -0.16 2.57 2.07 -0.36 -0.86 116.25 120.11 1qk1 h VAL 154 Ca 0.01 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 1qk1 h VAL 154 Cb 0.80 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1qk1 h VAL 154 CO 0.05 0.05 -0.48 0.44 0.02 0.00 0.00 177.57 177.64 1qk1 h ASP 155 N 0.00 0.71 -0.24 0.57 3.32 -1.35 -2.88 116.42 116.55 1qk1 h ASP 155 Ca -0.00 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 1qk1 h ASP 155 Cb 0.12 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1qk1 h ASP 155 CO 0.01 1.18 0.04 0.00 -1.72 0.00 0.00 179.24 178.74 1qk1 h ALA 156 N 0.55 0.31 -0.59 3.45 0.00 -1.11 -3.11 119.26 118.77 1qk1 h ALA 156 Ca -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1qk1 h ALA 156 Cb 1.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1qk1 h ALA 156 CO 0.10 -0.01 0.39 -0.07 0.00 0.00 0.00 179.25 179.67 1qk1 h LEU 157 N 0.20 0.58 0.00 0.00 3.38 -1.22 0.39 115.31 118.64 1qk1 h LEU 157 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qk1 h LEU 157 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1qk1 h LEU 157 CO 0.00 0.40 0.00 -1.54 0.09 0.00 0.00 178.44 177.39 1qk1 n SER 158 N -4.47 0.00 -0.49 -0.43 3.41 -1.09 -1.84 113.62 108.71 1qk1 n SER 158 Ca 0.07 0.16 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 1qk1 n SER 158 Cb 0.15 -0.33 0.21 0.00 -0.26 0.00 0.00 64.21 63.98 1qk1 n SER 158 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qk1 n GLY 159 N 0.11 -0.01 3.77 5.00 0.00 0.13 -4.94 105.19 109.25 1qk1 n GLY 159 Ca 0.07 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1qk1 n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qk1 s LEU 160 N -2.34 4.35 0.37 0.99 1.43 -0.77 -5.05 118.68 117.67 1qk1 s LEU 160 Ca 0.25 2.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.57 1qk1 s LEU 160 Cb 0.19 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1qk1 s LEU 160 CO 0.48 -0.34 0.11 -0.54 0.23 0.00 0.00 176.35 176.29 1qk1 s LYS 161 N -1.95 1.81 6.99 1.70 1.02 -1.26 -4.23 119.74 123.83 1qk1 s LYS 161 Ca 0.51 -2.07 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1qk1 s LYS 161 Cb -0.28 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.39 1qk1 s LYS 161 CO 0.35 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1qk1 n GLY 162 N -0.81 2.27 0.00 -3.33 0.00 -1.26 -2.08 105.19 99.98 1qk1 n GLY 162 Ca -0.04 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.75 1qk1 n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qk1 n ASP 163 N 5.39 0.00 -0.72 1.61 5.75 -1.26 -2.71 116.55 124.61 1qk1 n ASP 163 Ca 0.00 -0.32 0.12 0.00 -0.01 0.00 0.00 54.79 54.58 1qk1 n ASP 163 Cb 0.00 -0.22 0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1qk1 n ASP 163 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1qk1 n LEU 164 N -1.22 2.43 -4.77 -2.12 4.77 -0.88 -4.65 117.00 110.57 1qk1 n LEU 164 Ca 0.16 -0.84 -0.39 0.00 -0.03 0.00 0.00 56.01 54.91 1qk1 n LEU 164 Cb 0.20 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1qk1 n LEU 164 CO 0.21 0.42 0.91 0.00 -1.33 0.00 0.00 177.39 177.59 1qk1 s ALA 165 N -2.20 3.22 0.00 -1.18 0.00 -1.10 -4.58 121.76 115.92 1qk1 s ALA 165 Ca 0.25 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1qk1 s ALA 165 Cb 0.19 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1qk1 s ALA 165 CO 0.41 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1qk1 n GLY 166 N 0.68 3.24 3.03 0.00 0.00 -1.26 -1.02 105.19 109.86 1qk1 n GLY 166 Ca 0.04 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 1qk1 n GLY 166 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qk1 s ARG 167 N 0.78 0.50 -0.04 1.61 3.52 -0.78 -4.92 118.95 119.62 1qk1 s ARG 167 Ca 0.00 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 1qk1 s ARG 167 Cb 0.00 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 1qk1 s ARG 167 CO 0.00 0.07 -0.10 -0.47 -0.81 0.00 0.00 175.30 173.99 1qk1 s TYR 168 N -1.00 2.82 -0.08 5.12 5.04 -1.26 -2.44 117.35 125.55 1qk1 s TYR 168 Ca -0.06 -0.07 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 1qk1 s TYR 168 Cb -0.08 -1.64 0.01 0.00 0.35 0.00 0.00 41.96 40.60 1qk1 s TYR 168 CO 0.00 0.29 -0.14 0.71 -1.34 0.00 0.00 175.55 175.08 1qk1 s TYR 169 N -0.84 1.64 -0.15 4.97 1.51 0.97 -4.98 117.35 120.47 1qk1 s TYR 169 Ca 0.13 -0.65 -0.20 0.00 -1.01 0.00 0.00 57.07 55.35 1qk1 s TYR 169 Cb -0.11 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1qk1 s TYR 169 CO 0.03 -0.33 0.58 1.03 -1.11 0.00 0.00 175.55 175.75 1qk1 s ARG 170 N 0.71 4.28 0.48 -0.62 0.52 -1.26 -0.58 118.95 122.49 1qk1 s ARG 170 Ca -0.13 0.58 0.18 0.00 -0.52 0.00 0.00 55.73 55.84 1qk1 s ARG 170 Cb -0.16 -3.51 1.20 0.00 0.52 0.00 0.00 34.95 32.99 1qk1 s ARG 170 CO 0.03 -0.06 2.03 -0.07 0.02 0.00 0.00 175.30 177.25 1qk1 h LEU 171 N 7.50 0.17 -0.95 2.53 3.38 -1.80 -2.04 115.31 124.10 1qk1 h LEU 171 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1qk1 h LEU 171 Cb 1.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1qk1 h LEU 171 CO 0.76 0.10 0.00 0.77 0.09 0.00 0.00 178.44 180.16 1qk1 h SER 172 N 0.19 0.00 0.00 -0.43 4.64 -1.81 -3.23 113.55 112.91 1qk1 h SER 172 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1qk1 h SER 172 Cb 0.55 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.59 1qk1 h SER 172 CO -0.03 0.00 -0.37 -1.84 -0.87 0.00 0.00 176.83 173.72 1qk1 n GLU 173 N -2.86 0.75 -2.49 4.77 0.28 -0.83 -5.05 120.64 115.21 1qk1 n GLU 173 Ca 0.02 -2.11 -0.41 0.00 -0.16 0.00 0.00 57.16 54.50 1qk1 n GLU 173 Cb 0.34 -1.01 -0.04 0.00 1.43 0.00 0.00 31.44 32.16 1qk1 n GLU 173 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1qk1 s MET 174 N -1.64 4.55 0.59 3.44 1.75 -0.85 -4.92 119.30 122.22 1qk1 s MET 174 Ca 0.23 1.73 -0.07 0.00 -1.25 0.00 0.00 55.69 56.32 1qk1 s MET 174 Cb 0.22 -3.29 -0.00 0.00 2.84 0.00 0.00 34.83 34.59 1qk1 s MET 174 CO -0.02 -0.00 0.93 0.95 -0.65 0.00 0.00 175.02 176.22 1qk1 s THR 175 N 0.05 3.98 0.41 10.11 -4.23 -1.26 -4.88 115.64 119.83 1qk1 s THR 175 Ca 0.51 0.22 0.09 0.00 -1.18 0.00 0.00 61.69 61.33 1qk1 s THR 175 Cb -0.29 -3.58 0.22 0.00 1.34 0.00 0.00 72.50 70.19 1qk1 s THR 175 CO 0.34 -0.64 2.01 -0.33 -0.54 0.00 0.00 174.62 175.45 1qk1 h GLU 176 N -0.20 0.37 0.25 3.99 5.08 -1.98 0.11 114.58 122.19 1qk1 h GLU 176 Ca -0.45 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1qk1 h GLU 176 Cb 1.24 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1qk1 h GLU 176 CO 0.62 0.33 -0.12 0.00 -1.00 0.00 0.00 179.01 178.84 1qk1 h ALA 177 N 1.72 -0.33 -0.99 3.43 0.00 -1.99 -1.44 119.26 119.66 1qk1 h ALA 177 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qk1 h ALA 177 Cb 0.12 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1qk1 h ALA 177 CO -0.01 -0.57 0.65 0.93 0.00 0.00 0.00 179.25 180.25 1qk1 h GLU 178 N -0.56 1.31 -0.37 0.00 5.08 -1.84 -1.67 114.58 116.52 1qk1 h GLU 178 Ca -0.03 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1qk1 h GLU 178 Cb 0.41 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1qk1 h GLU 178 CO 0.06 0.87 0.23 0.37 -1.00 0.00 0.00 179.01 179.53 1qk1 h GLN 179 N 1.34 0.50 -0.58 2.33 4.15 -0.68 -1.50 115.11 120.68 1qk1 h GLN 179 Ca 0.36 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.69 1qk1 h GLN 179 Cb -0.15 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.41 1qk1 h GLN 179 CO -0.08 0.37 0.15 0.37 -1.93 0.00 0.00 178.83 177.71 1qk1 h GLN 180 N 0.49 0.89 -0.20 1.69 5.75 -0.79 -1.77 115.11 121.17 1qk1 h GLN 180 Ca 0.13 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1qk1 h GLN 180 Cb -0.01 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1qk1 h GLN 180 CO -0.03 0.79 0.06 0.37 -2.65 0.00 0.00 178.83 177.37 1qk1 h GLN 181 N 0.86 0.31 -0.24 1.69 5.75 -0.98 -2.18 115.11 120.33 1qk1 h GLN 181 Ca 0.19 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1qk1 h GLN 181 Cb 0.30 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1qk1 h GLN 181 CO -0.00 0.42 0.02 -0.07 -2.65 0.00 0.00 178.83 176.55 1qk1 h LEU 182 N 0.14 0.32 -0.54 -2.39 3.38 -1.01 -1.61 115.31 113.61 1qk1 h LEU 182 Ca 0.06 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1qk1 h LEU 182 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1qk1 h LEU 182 CO -0.00 0.36 -0.47 0.40 0.09 0.00 0.00 178.44 178.83 1qk1 h ILE 183 N 0.35 1.30 -0.34 1.22 2.04 -1.15 -0.21 117.51 120.71 1qk1 h ILE 183 Ca 0.08 -1.67 -0.11 0.00 1.00 0.00 0.00 64.86 64.16 1qk1 h ILE 183 Cb 0.20 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1qk1 h ILE 183 CO 0.00 0.53 -0.25 0.44 0.00 0.00 0.00 178.15 178.87 1qk1 h ASP 184 N 0.51 0.71 1.04 1.72 3.32 -0.75 -2.48 116.42 120.49 1qk1 h ASP 184 Ca 0.03 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1qk1 h ASP 184 Cb 1.01 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1qk1 h ASP 184 CO 0.09 0.93 0.00 0.47 -1.72 0.00 0.00 179.24 179.02 1qk1 n ASP 185 N -4.10 0.18 -2.30 6.45 8.00 -0.67 -4.92 116.55 119.19 1qk1 n ASP 185 Ca -0.00 0.52 -0.13 0.00 0.71 0.00 0.00 54.79 55.89 1qk1 n ASP 185 Cb 0.44 -0.57 0.05 0.00 -0.02 0.00 0.00 41.12 41.02 1qk1 n ASP 185 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1qk1 n HIS 186 N -1.68 -1.57 0.18 1.24 8.25 -0.77 -4.95 115.22 115.92 1qk1 n HIS 186 Ca 0.06 0.57 0.05 0.00 -0.26 0.00 0.00 57.72 58.14 1qk1 n HIS 186 Cb 0.34 -3.43 -0.07 0.00 1.12 0.00 0.00 29.99 27.95 1qk1 n HIS 186 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1qk1 n PHE 187 N -3.68 0.00 -2.42 4.41 3.72 -0.16 -5.03 117.46 114.30 1qk1 n PHE 187 Ca -0.03 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.05 1qk1 n PHE 187 Cb 0.55 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 1qk1 n PHE 187 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1qk1 s LEU 188 N -3.17 3.63 0.04 4.37 2.96 -1.16 -5.02 118.68 120.34 1qk1 s LEU 188 Ca -0.01 1.55 -0.00 0.00 -0.22 0.00 0.00 54.13 55.45 1qk1 s LEU 188 Cb 0.07 -4.48 -0.03 0.00 0.50 0.00 0.00 46.19 42.24 1qk1 s LEU 188 CO 0.39 -0.58 -0.04 0.72 -1.32 0.00 0.00 176.35 175.53 1qk1 s PHE 189 N -2.62 0.45 0.28 5.38 -0.12 -1.26 -5.00 117.98 115.09 1qk1 s PHE 189 Ca 0.58 -0.80 0.02 0.00 -0.05 0.00 0.00 56.93 56.68 1qk1 s PHE 189 Cb -0.10 -0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 41.97 1qk1 s PHE 189 CO 0.31 -0.27 0.06 -0.40 -0.05 0.00 0.00 175.22 174.88 1qk1 n ASP 190 N 0.80 1.69 -4.61 1.98 5.68 -1.26 -5.09 116.55 115.73 1qk1 n ASP 190 Ca -0.19 -2.39 -0.51 0.00 -0.50 0.00 0.00 54.79 51.20 1qk1 n ASP 190 Cb 0.58 0.52 -0.06 0.00 -1.14 0.00 0.00 41.12 41.03 1qk1 n ASP 190 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1qk1 n LYS 191 N -0.65 1.39 -1.77 0.11 4.81 -1.26 -4.87 118.16 115.92 1qk1 n LYS 191 Ca -0.07 0.50 -0.40 0.00 -0.87 0.00 0.00 58.31 57.47 1qk1 n LYS 191 Cb 0.40 -2.18 0.01 0.00 0.02 0.00 0.00 35.03 33.28 1qk1 n LYS 191 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1qk1 n PRO 192 N 2.92 2.44 -0.01 1.64 -0.02 -1.26 -4.92 135.00 135.79 1qk1 n PRO 192 Ca 0.18 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1qk1 n PRO 192 Cb 0.21 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.00 1qk1 n PRO 192 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1qk1 n VAL 193 N 0.04 0.13 -1.67 -1.45 0.24 -1.26 -4.86 118.33 109.50 1qk1 n VAL 193 Ca 0.04 -0.12 -0.48 0.00 -2.04 0.00 0.00 64.34 61.73 1qk1 n VAL 193 Cb 0.40 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 1qk1 n VAL 193 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1qk1 n SER 194 N -1.89 3.04 0.20 -1.34 2.88 -1.26 -4.84 113.62 110.41 1qk1 n SER 194 Ca -0.03 1.04 0.14 0.00 -1.33 0.00 0.00 58.87 58.69 1qk1 n SER 194 Cb 0.36 -1.36 0.65 0.00 -0.75 0.00 0.00 64.21 63.11 1qk1 n SER 194 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1qk1 h PRO 195 N 7.16 0.00 0.00 -1.46 0.13 -1.99 -1.18 132.00 134.67 1qk1 h PRO 195 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1qk1 h PRO 195 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1qk1 h PRO 195 CO 0.91 0.00 -0.38 -0.07 -0.23 0.00 0.00 178.00 178.22 1qk1 h LEU 196 N 0.00 0.00 0.09 1.56 3.38 -1.93 -2.19 115.31 116.22 1qk1 h LEU 196 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1qk1 h LEU 196 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1qk1 h LEU 196 CO 0.00 0.38 -1.85 0.18 0.09 0.00 0.00 178.44 177.24 1qk1 n LEU 197 N -3.99 2.44 0.03 1.67 4.32 -0.53 -3.91 117.00 117.04 1qk1 n LEU 197 Ca -0.02 0.25 -0.04 0.00 -0.02 0.00 0.00 56.01 56.19 1qk1 n LEU 197 Cb 0.43 -1.07 0.19 0.00 -1.62 0.00 0.00 43.42 41.35 1qk1 n LEU 197 CO 0.38 0.71 0.69 0.71 -1.22 0.00 0.00 177.39 178.66 1qk1 h THR 198 N -0.22 1.28 0.00 -5.08 1.35 -1.39 -2.22 112.91 106.63 1qk1 h THR 198 Ca -0.42 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1qk1 h THR 198 Cb 1.84 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1qk1 h THR 198 CO -0.00 0.43 0.00 0.00 -0.25 0.00 0.00 175.52 175.69 1qk1 h ALA 199 N 1.29 1.00 -0.45 6.62 0.00 -1.58 -1.74 119.26 124.40 1qk1 h ALA 199 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qk1 h ALA 199 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1qk1 h ALA 199 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1qk1 n ALA 200 N -2.08 2.44 -1.38 0.00 0.00 -0.88 -4.29 120.51 114.31 1qk1 n ALA 200 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 53.44 52.54 1qk1 n ALA 200 Cb 0.29 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 1qk1 n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qk1 n GLY 201 N 1.21 1.16 0.21 0.00 0.00 -0.65 -4.39 105.19 102.73 1qk1 n GLY 201 Ca 0.15 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.73 1qk1 n GLY 201 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qk1 n MET 202 N -2.64 1.28 -0.02 1.61 2.00 -0.95 -3.54 117.12 114.87 1qk1 n MET 202 Ca -0.11 -0.42 0.01 0.00 0.00 0.00 0.00 57.70 57.17 1qk1 n MET 202 Cb 0.38 -1.24 0.02 0.00 0.00 0.00 0.00 33.22 32.38 1qk1 n MET 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qk1 n ALA 203 N -0.29 2.02 -1.75 3.04 0.00 -1.26 -4.90 120.51 117.38 1qk1 n ALA 203 Ca 0.11 -1.01 -0.38 0.00 0.00 0.00 0.00 53.44 52.15 1qk1 n ALA 203 Cb 0.14 -0.04 0.04 0.00 0.00 0.00 0.00 19.45 19.59 1qk1 n ALA 203 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qk1 s ARG 204 N -1.00 3.06 -1.49 0.00 0.52 -1.23 -3.12 118.95 115.68 1qk1 s ARG 204 Ca 0.02 2.20 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 1qk1 s ARG 204 Cb 0.01 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1qk1 s ARG 204 CO 0.02 -1.25 0.00 -0.25 0.02 0.00 0.00 175.30 173.84 1qk1 n ASP 205 N -1.16 -4.80 -4.72 0.23 8.00 -1.26 -4.89 116.55 107.95 1qk1 n ASP 205 Ca 0.11 0.35 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 1qk1 n ASP 205 Cb 0.45 -3.98 -0.01 0.00 -0.02 0.00 0.00 41.12 37.56 1qk1 n ASP 205 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1qk1 n TRP 206 N -2.08 2.53 -0.74 1.24 -0.00 -1.18 -0.88 117.44 116.33 1qk1 n TRP 206 Ca -0.14 0.45 0.07 0.00 -0.00 0.00 0.00 57.50 57.87 1qk1 n TRP 206 Cb 0.55 -2.49 0.38 0.00 -0.00 0.00 0.00 31.31 29.75 1qk1 n TRP 206 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1qk1 n PRO 207 N 1.13 4.55 -1.65 5.87 -0.04 -1.26 -5.12 135.00 138.48 1qk1 n PRO 207 Ca 0.06 -2.92 -0.56 0.00 -0.04 0.00 0.00 63.50 60.03 1qk1 n PRO 207 Cb 0.36 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 1qk1 n PRO 207 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1qk1 n ASP 208 N 0.63 1.80 -0.42 3.54 -0.08 -0.06 -1.86 116.55 120.11 1qk1 n ASP 208 Ca 0.26 1.11 -0.06 0.00 -1.51 0.00 0.00 54.79 54.59 1qk1 n ASP 208 Cb 1.11 -1.12 -0.02 0.00 2.34 0.00 0.00 41.12 43.43 1qk1 n ASP 208 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qk1 n ALA 209 N 3.85 -0.08 -2.81 -1.67 0.00 -1.26 -4.98 120.51 113.56 1qk1 n ALA 209 Ca 0.23 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 1qk1 n ALA 209 Cb 0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 1qk1 n ALA 209 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qk1 s ARG 210 N -2.12 3.52 0.30 0.00 1.81 -0.77 -4.65 118.95 117.03 1qk1 s ARG 210 Ca 0.00 -0.26 -0.20 0.00 -1.72 0.00 0.00 55.73 53.55 1qk1 s ARG 210 Cb 0.00 -2.98 0.03 0.00 -0.45 0.00 0.00 34.95 31.55 1qk1 s ARG 210 CO 0.00 0.57 0.73 0.20 -0.68 0.00 0.00 175.30 176.11 1qk1 s GLY 211 N -2.35 0.01 -0.02 -3.53 0.00 -1.00 -2.57 107.32 97.85 1qk1 s GLY 211 Ca 0.36 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.71 1qk1 s GLY 211 CO 0.25 -0.14 -0.13 -0.42 0.00 0.00 0.00 173.10 172.65 1qk1 s ILE 212 N -3.63 1.08 -0.01 0.90 1.01 0.26 -0.99 121.20 119.81 1qk1 s ILE 212 Ca 0.12 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1qk1 s ILE 212 Cb -0.06 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1qk1 s ILE 212 CO 0.08 0.32 -0.05 0.86 0.00 0.00 0.00 174.94 176.14 1qk1 s TRP 213 N -0.08 0.55 0.00 3.97 -0.00 -0.42 -0.02 118.94 122.94 1qk1 s TRP 213 Ca 0.00 -0.11 -0.10 0.00 -0.00 0.00 0.00 56.10 55.90 1qk1 s TRP 213 Cb -0.08 -0.40 0.01 0.00 -0.00 0.00 0.00 33.47 33.00 1qk1 s TRP 213 CO 0.00 -0.05 0.20 -3.38 -0.00 0.00 0.00 176.95 173.73 1qk1 s HIS 214 N 0.13 -0.03 0.83 5.86 -3.43 -1.02 -0.20 115.29 117.42 1qk1 s HIS 214 Ca -0.01 -0.03 -0.12 0.00 -0.80 0.00 0.00 55.06 54.10 1qk1 s HIS 214 Cb -0.05 0.00 0.09 0.00 -1.43 0.00 0.00 32.58 31.18 1qk1 s HIS 214 CO -0.00 -0.34 1.10 0.54 -2.00 0.00 0.00 174.74 174.03 1qk1 s ASN 215 N -1.48 4.21 0.28 7.38 4.22 -0.83 -1.88 114.94 126.84 1qk1 s ASN 215 Ca -0.13 1.33 -0.03 0.00 -2.14 0.00 0.00 52.86 51.89 1qk1 s ASN 215 Cb -0.06 -2.04 0.38 0.00 1.28 0.00 0.00 41.25 40.81 1qk1 s ASN 215 CO 0.02 -2.15 1.94 0.78 -2.04 0.00 0.00 177.10 175.65 1qk1 h ASN 216 N -1.21 1.03 -0.05 3.54 2.35 -1.34 -1.79 115.58 118.11 1qk1 h ASN 216 Ca -0.48 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1qk1 h ASN 216 Cb 1.28 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1qk1 h ASN 216 CO 0.58 0.73 0.00 -1.84 -1.65 0.00 0.00 177.43 175.25 1qk1 n GLU 217 N -4.41 1.12 -3.75 0.81 0.28 -1.26 -4.91 120.64 108.51 1qk1 n GLU 217 Ca 0.11 -0.18 -0.24 0.00 -0.16 0.00 0.00 57.16 56.69 1qk1 n GLU 217 Cb 0.05 -1.11 0.04 0.00 1.43 0.00 0.00 31.44 31.85 1qk1 n GLU 217 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1qk1 n LYS 218 N -0.42 -5.36 0.00 3.44 5.02 -0.67 -4.90 118.16 115.28 1qk1 n LYS 218 Ca 0.05 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1qk1 n LYS 218 Cb 0.06 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 29.72 1qk1 n LYS 218 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1qk1 n SER 219 N -2.99 0.77 -3.69 4.39 3.41 -1.26 -4.93 113.62 109.32 1qk1 n SER 219 Ca -0.18 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.21 1qk1 n SER 219 Cb 0.62 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 64.40 1qk1 n SER 219 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1qk1 s PHE 220 N -0.00 0.34 -0.03 7.33 5.36 -1.26 -2.12 117.98 127.59 1qk1 s PHE 220 Ca 0.00 -0.06 0.07 0.00 -0.96 0.00 0.00 56.93 55.98 1qk1 s PHE 220 Cb 0.00 -0.66 -0.02 0.00 -0.34 0.00 0.00 43.02 42.01 1qk1 s PHE 220 CO 0.00 -0.32 -0.25 -1.17 -1.46 0.00 0.00 175.22 172.02 1qk1 s LEU 221 N 2.08 2.10 -0.07 6.12 0.20 0.82 -1.97 118.68 127.98 1qk1 s LEU 221 Ca 0.04 -0.46 -0.00 0.00 0.69 0.00 0.00 54.13 54.39 1qk1 s LEU 221 Cb -0.13 -1.37 0.02 0.00 -0.43 0.00 0.00 46.19 44.29 1qk1 s LEU 221 CO -0.05 0.30 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.64 1qk1 s ILE 222 N -0.47 0.58 -0.22 6.68 1.01 0.71 -0.30 121.20 129.19 1qk1 s ILE 222 Ca 0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1qk1 s ILE 222 Cb -0.11 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1qk1 s ILE 222 CO 0.01 0.27 0.12 0.26 0.00 0.00 0.00 174.94 175.59 1qk1 s TRP 223 N 1.42 3.27 -0.22 3.97 0.51 -0.25 -1.31 118.94 126.32 1qk1 s TRP 223 Ca -0.03 0.09 -0.08 0.00 -2.12 0.00 0.00 56.10 53.96 1qk1 s TRP 223 Cb -0.13 -2.20 -0.04 0.00 -0.81 0.00 0.00 33.47 30.29 1qk1 s TRP 223 CO -0.03 0.05 0.10 0.08 -0.51 0.00 0.00 176.95 176.63 1qk1 s VAL 224 N 0.88 4.79 -1.48 4.03 1.01 -0.16 -1.46 120.40 128.01 1qk1 s VAL 224 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1qk1 s VAL 224 Cb -0.13 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1qk1 s VAL 224 CO 0.03 0.38 0.75 0.59 0.00 0.00 0.00 175.10 176.84 1qk1 n ASN 225 N 4.27 -6.13 0.00 3.32 3.02 0.78 -2.38 115.26 118.14 1qk1 n ASN 225 Ca -0.16 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1qk1 n ASN 225 Cb 0.52 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.79 1qk1 n ASN 225 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1qk1 n GLU 226 N -4.22 0.00 -0.63 3.52 2.13 -1.26 -4.79 120.64 115.39 1qk1 n GLU 226 Ca -0.08 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.83 1qk1 n GLU 226 Cb 0.60 0.00 0.36 0.00 0.27 0.00 0.00 31.44 32.68 1qk1 n GLU 226 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1qk1 n GLU 227 N 0.00 3.81 -3.78 5.31 0.28 -1.26 -4.92 120.64 120.07 1qk1 n GLU 227 Ca 0.00 -2.92 -0.04 0.00 -0.16 0.00 0.00 57.16 54.04 1qk1 n GLU 227 Cb 0.00 -1.92 -0.01 0.00 1.43 0.00 0.00 31.44 30.94 1qk1 n GLU 227 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1qk1 s ASP 228 N -0.91 -0.16 0.15 -1.84 1.01 -1.26 -4.70 116.67 108.96 1qk1 s ASP 228 Ca 0.52 -0.48 -0.17 0.00 0.71 0.00 0.00 52.55 53.13 1qk1 s ASP 228 Cb 0.34 0.53 0.05 0.00 1.01 0.00 0.00 42.92 44.84 1qk1 s ASP 228 CO 0.24 -0.98 1.74 0.45 0.21 0.00 0.00 175.17 176.83 1qk1 h HIS 229 N 2.00 0.13 -3.53 4.23 3.86 -1.92 -3.12 115.15 116.81 1qk1 h HIS 229 Ca -0.24 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 58.81 1qk1 h HIS 229 Cb 1.23 -0.01 -0.25 0.00 1.06 0.00 0.00 27.41 29.45 1qk1 h HIS 229 CO 0.52 0.04 -0.57 0.95 0.86 0.00 0.00 177.93 179.72 1qk1 s THR 230 N -6.17 0.03 -0.18 2.45 -4.23 -1.05 -0.15 115.64 106.34 1qk1 s THR 230 Ca -0.13 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1qk1 s THR 230 Cb 0.12 -0.25 0.02 0.00 1.34 0.00 0.00 72.50 73.73 1qk1 s THR 230 CO 0.70 -0.16 -0.19 -0.13 -0.54 0.00 0.00 174.62 174.31 1qk1 s ARG 231 N -0.49 2.90 -0.20 3.99 1.81 -0.53 -1.97 118.95 124.46 1qk1 s ARG 231 Ca -0.06 -0.84 -0.08 0.00 -1.72 0.00 0.00 55.73 53.04 1qk1 s ARG 231 Cb -0.04 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.87 1qk1 s ARG 231 CO 0.00 -0.23 0.07 0.08 -0.68 0.00 0.00 175.30 174.54 1qk1 s VAL 232 N 1.29 4.74 -0.04 3.52 1.01 0.37 -1.09 120.40 130.20 1qk1 s VAL 232 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1qk1 s VAL 232 Cb -0.13 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1qk1 s VAL 232 CO -0.12 0.43 -0.07 -0.63 0.00 0.00 0.00 175.10 174.70 1qk1 s ILE 233 N 0.63 0.73 -0.16 2.22 1.01 0.60 -1.39 121.20 124.83 1qk1 s ILE 233 Ca 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1qk1 s ILE 233 Cb -0.13 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 1qk1 s ILE 233 CO 0.01 0.25 -0.15 -0.55 0.00 0.00 0.00 174.94 174.51 1qk1 s SER 234 N 0.62 3.68 0.07 3.58 0.15 -0.48 -0.13 113.70 121.20 1qk1 s SER 234 Ca -0.10 -0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.04 1qk1 s SER 234 Cb -0.13 -1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 1qk1 s SER 234 CO 0.01 0.07 0.05 0.00 1.20 0.00 0.00 173.24 174.57 1qk1 s MET 235 N 0.91 0.71 -0.05 5.44 0.23 -0.90 -0.91 119.30 124.72 1qk1 s MET 235 Ca -0.03 -1.15 -0.30 0.00 -1.03 0.00 0.00 55.69 53.18 1qk1 s MET 235 Cb -0.15 0.26 0.08 0.00 -1.53 0.00 0.00 34.83 33.49 1qk1 s MET 235 CO -0.01 -0.17 0.76 -1.21 -2.03 0.00 0.00 175.02 172.35 1qk1 s GLU 236 N -3.91 0.96 0.38 3.16 2.02 -0.80 -4.58 118.70 115.93 1qk1 s GLU 236 Ca 0.07 0.14 -0.22 0.00 0.02 0.00 0.00 54.97 54.98 1qk1 s GLU 236 Cb 0.07 0.45 -0.10 0.00 0.10 0.00 0.00 34.13 34.65 1qk1 s GLU 236 CO -0.10 -0.32 0.92 0.15 0.02 0.00 0.00 175.26 175.93 1qk1 s LYS 237 N -1.51 4.30 0.00 1.61 1.02 -1.26 -1.36 119.74 122.54 1qk1 s LYS 237 Ca -0.07 1.12 0.00 0.00 0.02 0.00 0.00 55.97 57.04 1qk1 s LYS 237 Cb -0.00 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1qk1 s LYS 237 CO 0.05 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 1qk1 n GLY 238 N -0.23 -1.41 0.94 -3.33 0.00 0.10 -4.74 105.19 96.51 1qk1 n GLY 238 Ca 0.05 -2.08 0.05 0.00 0.00 0.00 0.00 46.02 44.04 1qk1 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qk1 n GLY 239 N 0.00 3.30 2.70 -0.02 0.00 -1.26 -2.85 105.19 107.07 1qk1 n GLY 239 Ca 0.00 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1qk1 n GLY 239 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qk1 n ASN 240 N -0.44 5.75 -0.36 1.61 4.05 -1.26 -0.11 115.26 124.50 1qk1 n ASN 240 Ca 0.13 -3.00 0.09 0.00 0.45 0.00 0.00 54.58 52.24 1qk1 n ASN 240 Cb 0.87 -1.50 0.26 0.00 1.23 0.00 0.00 39.78 40.65 1qk1 n ASN 240 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 1qk1 h MET 241 N 5.50 0.90 -0.55 1.20 1.85 -1.59 -1.65 114.93 120.59 1qk1 h MET 241 Ca 0.54 -0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.62 1qk1 h MET 241 Cb 0.53 -0.20 -0.05 0.00 0.43 0.00 0.00 31.60 32.31 1qk1 h MET 241 CO 1.67 0.60 0.30 -0.22 -0.40 0.00 0.00 176.91 178.86 1qk1 h LYS 242 N 0.93 0.56 -0.18 0.39 3.64 -1.58 0.39 116.57 120.72 1qk1 h LYS 242 Ca 0.52 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.73 1qk1 h LYS 242 Cb 0.60 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1qk1 h LYS 242 CO -0.29 0.37 -0.46 -0.09 -2.27 0.00 0.00 179.45 176.71 1qk1 h ARG 243 N 0.57 0.46 -0.67 1.90 2.43 -1.60 -1.35 114.38 116.11 1qk1 h ARG 243 Ca 0.24 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1qk1 h ARG 243 Cb 0.13 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1qk1 h ARG 243 CO -0.15 0.83 0.33 0.28 -1.51 0.00 0.00 179.97 179.75 1qk1 h VAL 244 N 0.37 1.22 -0.05 0.20 2.07 -0.72 -2.06 116.25 117.29 1qk1 h VAL 244 Ca 0.02 -0.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.79 1qk1 h VAL 244 Cb 0.95 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1qk1 h VAL 244 CO 0.08 0.26 -0.59 0.15 0.02 0.00 0.00 177.57 177.49 1qk1 h PHE 245 N 0.93 0.21 -0.41 1.57 3.57 -0.77 -1.74 116.94 120.31 1qk1 h PHE 245 Ca 0.23 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1qk1 h PHE 245 Cb 0.10 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1qk1 h PHE 245 CO 0.00 0.71 -0.10 0.93 -2.23 0.00 0.00 178.31 177.62 1qk1 h GLU 246 N 0.12 0.79 -0.62 1.11 5.08 -0.91 -1.23 114.58 118.92 1qk1 h GLU 246 Ca -0.00 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1qk1 h GLU 246 Cb 1.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1qk1 h GLU 246 CO 0.09 0.92 0.14 -0.09 -1.00 0.00 0.00 179.01 179.07 1qk1 h ARG 247 N 0.61 1.00 0.11 2.33 2.43 -1.34 -0.13 114.38 119.39 1qk1 h ARG 247 Ca 0.10 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1qk1 h ARG 247 Cb 0.63 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1qk1 h ARG 247 CO 0.04 0.92 -0.26 0.35 -1.51 0.00 0.00 179.97 179.50 1qk1 h PHE 248 N 0.91 -0.71 -0.57 2.20 3.57 -1.10 0.56 116.94 121.81 1qk1 h PHE 248 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1qk1 h PHE 248 Cb 0.37 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1qk1 h PHE 248 CO 0.03 -0.37 0.08 0.00 -2.23 0.00 0.00 178.31 175.82 1qk1 h ARG 250 N 0.87 0.26 -0.83 0.00 2.43 -0.77 -2.35 114.38 113.99 1qk1 h ARG 250 Ca 0.18 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1qk1 h ARG 250 Cb 0.40 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1qk1 h ARG 250 CO 0.01 0.52 0.46 0.78 -1.51 0.00 0.00 179.97 180.23 1qk1 h GLY 251 N -0.04 1.24 1.05 2.80 0.00 -0.82 -2.05 103.07 105.26 1qk1 h GLY 251 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 1qk1 h GLY 251 CO 0.01 0.54 0.11 1.41 0.00 0.00 0.00 176.54 178.61 1qk1 h LEU 252 N 1.15 1.01 -0.90 3.11 3.38 -1.32 -1.05 115.31 120.70 1qk1 h LEU 252 Ca 0.29 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1qk1 h LEU 252 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1qk1 h LEU 252 CO -0.05 1.01 -0.34 0.11 0.09 0.00 0.00 178.44 179.26 1qk1 h LYS 253 N 0.97 0.39 -0.19 1.13 1.57 -1.26 -1.18 116.57 118.00 1qk1 h LYS 253 Ca 0.19 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1qk1 h LYS 253 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1qk1 h LYS 253 CO 0.01 0.69 -0.37 1.49 -0.57 0.00 0.00 179.45 180.70 1qk1 h GLU 254 N 0.34 0.59 -0.62 3.15 4.57 -1.21 -1.65 114.58 119.75 1qk1 h GLU 254 Ca 0.04 -0.38 -0.08 0.00 -1.18 0.00 0.00 59.36 57.76 1qk1 h GLU 254 Cb 0.76 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 1qk1 h GLU 254 CO 0.06 0.99 0.06 0.28 -1.18 0.00 0.00 179.01 179.22 1qk1 h VAL 255 N 0.26 1.26 -0.53 0.32 2.07 -1.07 -1.76 116.25 116.80 1qk1 h VAL 255 Ca 0.01 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1qk1 h VAL 255 Cb 0.96 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1qk1 h VAL 255 CO 0.08 0.39 -0.02 -0.08 0.02 0.00 0.00 177.57 177.96 1qk1 h GLU 256 N 0.95 0.92 -0.20 1.57 4.81 -1.19 -1.98 114.58 119.46 1qk1 h GLU 256 Ca 0.18 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1qk1 h GLU 256 Cb 0.48 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1qk1 h GLU 256 CO 0.02 0.92 0.13 -0.09 -0.73 0.00 0.00 179.01 179.26 1qk1 h ARG 257 N 0.84 0.26 -0.31 1.92 1.12 -1.03 -2.00 114.38 115.19 1qk1 h ARG 257 Ca 0.15 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.95 1qk1 h ARG 257 Cb 0.53 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.42 1qk1 h ARG 257 CO 0.03 0.20 -0.03 -0.07 -3.11 0.00 0.00 179.97 176.98 1qk1 h LEU 258 N 0.25 0.46 0.00 3.80 3.38 -1.10 -2.36 115.31 119.74 1qk1 h LEU 258 Ca 0.07 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1qk1 h LEU 258 Cb -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1qk1 h LEU 258 CO -0.01 0.55 -0.69 0.16 0.09 0.00 0.00 178.44 178.54 1qk1 h ILE 259 N 0.46 1.06 0.00 1.22 3.07 -1.18 -3.16 117.51 118.99 1qk1 h ILE 259 Ca 0.10 -2.52 -0.05 0.00 1.55 0.00 0.00 64.86 63.94 1qk1 h ILE 259 Cb 0.36 2.51 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 1qk1 h ILE 259 CO 0.01 0.60 -0.23 1.56 -1.05 0.00 0.00 178.15 179.05 1qk1 h GLN 260 N 0.00 0.00 -0.04 0.16 4.20 -1.05 -1.41 115.11 116.97 1qk1 h GLN 260 Ca -0.02 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1qk1 h GLN 260 Cb 1.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.27 1qk1 h GLN 260 CO 0.08 0.23 -0.25 1.49 -0.67 0.00 0.00 178.83 179.71 1qk1 h GLU 261 N 0.00 0.06 -0.68 1.46 4.81 -1.39 -2.00 114.58 116.83 1qk1 h GLU 261 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1qk1 h GLU 261 Cb 0.71 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1qk1 h GLU 261 CO 0.03 0.31 0.00 0.54 -0.73 0.00 0.00 179.01 179.16 1qk1 n ARG 262 N -4.22 3.36 -0.47 1.92 5.12 -0.87 -4.95 116.66 116.54 1qk1 n ARG 262 Ca -0.02 -2.75 0.00 0.00 -1.93 0.00 0.00 57.85 53.15 1qk1 n ARG 262 Cb 0.32 -1.78 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 1qk1 n ARG 262 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qk1 n GLY 263 N 1.32 0.75 3.85 -0.13 0.00 -0.75 -5.08 105.19 105.14 1qk1 n GLY 263 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1qk1 n GLY 263 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qk1 s TRP 264 N -2.38 3.20 0.17 1.61 0.52 -0.59 -4.98 118.94 116.50 1qk1 s TRP 264 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.09 1qk1 s TRP 264 Cb 0.00 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.80 1qk1 s TRP 264 CO 0.00 0.51 -0.02 -1.21 0.02 0.00 0.00 176.95 176.25 1qk1 s GLU 265 N -3.62 1.11 0.33 4.98 2.02 -1.26 -3.23 118.70 119.02 1qk1 s GLU 265 Ca 0.33 -1.53 -0.13 0.00 0.02 0.00 0.00 54.97 53.66 1qk1 s GLU 265 Cb -0.09 -0.35 -0.08 0.00 0.10 0.00 0.00 34.13 33.71 1qk1 s GLU 265 CO 0.25 -0.09 0.72 -0.06 0.02 0.00 0.00 175.26 176.11 1qk1 s PHE 266 N -3.58 3.40 -0.15 1.61 0.08 -1.26 -0.73 117.98 117.35 1qk1 s PHE 266 Ca 0.23 1.14 -0.29 0.00 0.12 0.00 0.00 56.93 58.12 1qk1 s PHE 266 Cb 0.05 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.01 1qk1 s PHE 266 CO 0.03 0.06 1.21 -1.64 -0.10 0.00 0.00 175.22 174.79 1qk1 s MET 267 N -3.18 4.27 -0.09 0.44 -1.94 0.46 -4.60 119.30 114.67 1qk1 s MET 267 Ca 0.53 1.61 -0.27 0.00 -1.71 0.00 0.00 55.69 55.84 1qk1 s MET 267 Cb -0.10 -3.69 0.06 0.00 2.01 0.00 0.00 34.83 33.11 1qk1 s MET 267 CO 0.21 -0.62 0.63 -0.46 -0.01 0.00 0.00 175.02 174.77 1qk1 s TRP 268 N 3.12 -0.62 0.11 -0.03 -0.00 -1.26 -2.01 118.94 118.25 1qk1 s TRP 268 Ca 0.53 1.17 -0.14 0.00 -0.00 0.00 0.00 56.10 57.66 1qk1 s TRP 268 Cb -0.21 0.34 0.03 0.00 -0.00 0.00 0.00 33.47 33.62 1qk1 s TRP 268 CO 0.15 -0.52 0.34 0.54 -0.00 0.00 0.00 176.95 177.46 1qk1 s ASN 269 N -0.86 -0.15 0.52 5.86 2.20 -0.92 -4.99 114.94 116.61 1qk1 s ASN 269 Ca -0.09 -0.37 0.33 0.00 -0.94 0.00 0.00 52.86 51.80 1qk1 s ASN 269 Cb -0.02 0.43 1.44 0.00 -2.00 0.00 0.00 41.25 41.11 1qk1 s ASN 269 CO 0.07 -0.80 1.99 1.05 -2.94 0.00 0.00 177.10 176.47 1qk1 h GLU 270 N 2.55 0.00 0.00 3.55 4.11 -1.89 0.60 114.58 123.50 1qk1 h GLU 270 Ca -0.34 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.94 1qk1 h GLU 270 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1qk1 h GLU 270 CO 0.49 0.00 -1.61 2.89 0.07 0.00 0.00 179.01 180.85 1qk1 n ARG 271 N -2.96 0.64 0.00 1.06 1.85 -1.26 -0.82 116.66 115.16 1qk1 n ARG 271 Ca 0.00 0.11 0.02 0.00 -1.00 0.00 0.00 57.85 56.98 1qk1 n ARG 271 Cb 0.26 -1.72 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 1qk1 n ARG 271 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1qk1 n LEU 272 N -2.74 0.93 0.00 2.89 4.77 -1.20 -4.30 117.00 117.35 1qk1 n LEU 272 Ca -0.11 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 1qk1 n LEU 272 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1qk1 n LEU 272 CO 0.43 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1qk1 n GLY 273 N 0.60 1.45 3.74 -0.72 0.00 0.20 -0.34 105.19 110.13 1qk1 n GLY 273 Ca 0.02 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1qk1 n GLY 273 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qk1 s TYR 274 N 0.00 3.49 -0.19 1.61 2.02 -0.35 -2.16 117.35 121.77 1qk1 s TYR 274 Ca 0.00 1.53 -0.16 0.00 -0.37 0.00 0.00 57.07 58.08 1qk1 s TYR 274 Cb 0.00 -3.37 -0.04 0.00 -0.40 0.00 0.00 41.96 38.15 1qk1 s TYR 274 CO 0.00 -0.93 0.38 0.42 -1.57 0.00 0.00 175.55 173.85 1qk1 s ILE 275 N -0.44 5.22 0.32 2.71 1.01 -0.85 -3.31 121.20 125.87 1qk1 s ILE 275 Ca 0.50 0.68 0.03 0.00 0.00 0.00 0.00 60.65 61.86 1qk1 s ILE 275 Cb -0.32 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 1qk1 s ILE 275 CO 0.38 0.29 0.10 -0.76 0.00 0.00 0.00 174.94 174.95 1qk1 s LEU 276 N 1.08 1.92 0.26 2.97 1.43 -1.26 -4.12 118.68 120.96 1qk1 s LEU 276 Ca 0.19 -1.47 0.05 0.00 -1.03 0.00 0.00 54.13 51.87 1qk1 s LEU 276 Cb -0.14 -0.13 0.34 0.00 0.03 0.00 0.00 46.19 46.28 1qk1 s LEU 276 CO 0.07 -0.75 1.62 0.00 0.23 0.00 0.00 176.35 177.53 1qk1 h THR 277 N 2.13 1.35 -3.30 5.49 1.03 -1.88 -3.43 112.91 114.31 1qk1 h THR 277 Ca -0.38 -1.75 -0.61 0.00 -0.01 0.00 0.00 66.41 63.66 1qk1 h THR 277 Cb 1.25 1.83 -0.14 0.00 -1.07 0.00 0.00 68.15 70.03 1qk1 h THR 277 CO 0.62 0.52 -0.52 0.00 -0.01 0.00 0.00 175.52 176.14 1qk1 h PRO 279 N 6.74 0.00 0.00 0.00 0.11 -1.82 -0.67 132.00 136.36 1qk1 h PRO 279 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1qk1 h PRO 279 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qk1 h PRO 279 CO 0.73 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.18 1qk1 h SER 280 N 0.00 0.00 -0.59 -2.05 4.64 -1.94 -3.12 113.55 110.49 1qk1 h SER 280 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1qk1 h SER 280 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1qk1 h SER 280 CO -0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1qk1 n ASN 281 N -2.59 4.59 -4.12 4.97 3.02 -0.26 -4.92 115.26 115.95 1qk1 n ASN 281 Ca 0.02 -2.48 -0.29 0.00 -0.03 0.00 0.00 54.58 51.80 1qk1 n ASN 281 Cb 0.31 -0.55 0.24 0.00 -0.61 0.00 0.00 39.78 39.16 1qk1 n ASN 281 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qk1 s LEU 282 N -1.90 0.54 0.00 3.41 1.02 -1.18 -2.60 118.68 117.96 1qk1 s LEU 282 Ca 0.48 1.01 0.00 0.00 0.02 0.00 0.00 54.13 55.65 1qk1 s LEU 282 Cb 0.32 -2.83 0.00 0.00 0.02 0.00 0.00 46.19 43.70 1qk1 s LEU 282 CO 0.22 -4.18 0.00 0.61 0.02 0.00 0.00 176.35 173.02 1qk1 n GLY 283 N -0.09 2.02 0.01 -3.19 0.00 0.54 -2.70 105.19 101.79 1qk1 n GLY 283 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1qk1 n GLY 283 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qk1 n THR 284 N 0.00 0.07 -1.88 2.61 -2.24 -0.85 -1.21 114.28 110.77 1qk1 n THR 284 Ca 0.00 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 1qk1 n THR 284 Cb 0.00 0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 1qk1 n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qk1 n GLY 285 N 1.83 0.51 3.78 3.38 0.00 -1.07 -4.62 105.19 109.00 1qk1 n GLY 285 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1qk1 n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qk1 s LEU 286 N -4.72 4.34 -0.29 0.99 0.20 -1.26 -4.07 118.68 113.88 1qk1 s LEU 286 Ca 0.00 0.74 0.01 0.00 0.69 0.00 0.00 54.13 55.57 1qk1 s LEU 286 Cb 0.00 -2.51 0.09 0.00 -0.43 0.00 0.00 46.19 43.34 1qk1 s LEU 286 CO 0.00 0.18 0.04 -0.13 -0.29 0.00 0.00 176.35 176.14 1qk1 s ARG 287 N -0.15 1.20 -0.21 1.98 1.81 -0.45 -4.85 118.95 118.28 1qk1 s ARG 287 Ca 0.21 -1.26 -0.07 0.00 -1.72 0.00 0.00 55.73 52.90 1qk1 s ARG 287 Cb -0.15 -2.52 -0.03 0.00 -0.45 0.00 0.00 34.95 31.80 1qk1 s ARG 287 CO 0.09 -0.85 0.04 0.00 -0.68 0.00 0.00 175.30 173.91 1qk1 s ALA 288 N 1.35 3.21 0.37 2.13 0.00 -1.26 -1.16 121.76 126.39 1qk1 s ALA 288 Ca 0.05 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1qk1 s ALA 288 Cb -0.18 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.06 1qk1 s ALA 288 CO -0.14 -0.11 0.66 0.20 0.00 0.00 0.00 175.76 176.37 1qk1 s GLY 289 N 0.92 0.82 0.09 0.00 0.00 -0.04 -2.61 107.32 106.51 1qk1 s GLY 289 Ca 0.03 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1qk1 s GLY 289 CO 0.02 -0.59 -0.00 -1.34 0.00 0.00 0.00 173.10 171.19 1qk1 s VAL 290 N -2.63 0.25 -0.29 1.40 -7.23 -0.41 -1.35 120.40 110.14 1qk1 s VAL 290 Ca 0.22 -1.87 -0.08 0.00 -1.81 0.00 0.00 61.98 58.44 1qk1 s VAL 290 Cb -0.03 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 1qk1 s VAL 290 CO 0.15 -0.78 0.11 -1.00 -0.31 0.00 0.00 175.10 173.28 1qk1 s HIS 291 N -3.92 3.14 0.07 2.82 3.76 -0.73 -1.71 115.29 118.71 1qk1 s HIS 291 Ca 0.14 -0.60 0.06 0.00 -0.15 0.00 0.00 55.06 54.51 1qk1 s HIS 291 Cb 0.07 -2.30 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 1qk1 s HIS 291 CO -0.05 -0.44 -0.16 -1.50 -0.85 0.00 0.00 174.74 171.74 1qk1 s ILE 292 N 1.59 1.25 -0.39 0.60 2.07 -0.15 -0.28 121.20 125.89 1qk1 s ILE 292 Ca 0.05 -1.26 -0.16 0.00 -1.41 0.00 0.00 60.65 57.87 1qk1 s ILE 292 Cb -0.16 -1.16 0.01 0.00 0.13 0.00 0.00 42.46 41.27 1qk1 s ILE 292 CO 0.05 -0.11 0.35 -0.54 -1.91 0.00 0.00 174.94 172.78 1qk1 s LYS 293 N -1.59 3.23 -0.39 3.50 1.02 1.00 -1.11 119.74 125.40 1qk1 s LYS 293 Ca 0.01 -0.73 0.12 0.00 0.02 0.00 0.00 55.97 55.39 1qk1 s LYS 293 Cb -0.09 -3.91 0.40 0.00 -0.52 0.00 0.00 37.83 33.71 1qk1 s LYS 293 CO 0.02 -0.69 0.90 1.28 -0.92 0.00 0.00 175.35 175.94 1qk1 n LEU 294 N 5.36 2.08 -0.29 3.17 4.77 -0.27 -4.82 117.00 127.01 1qk1 n LEU 294 Ca -0.09 -4.61 0.09 0.00 -0.03 0.00 0.00 56.01 51.36 1qk1 n LEU 294 Cb 0.48 0.28 0.24 0.00 -2.33 0.00 0.00 43.42 42.09 1qk1 n LEU 294 CO 0.42 2.00 1.06 1.55 -1.33 0.00 0.00 177.39 181.09 1qk1 h PRO 295 N 2.94 0.48 0.08 3.23 0.13 -1.89 -0.18 132.00 136.80 1qk1 h PRO 295 Ca 0.05 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1qk1 h PRO 295 Cb 0.99 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1qk1 h PRO 295 CO 0.59 0.32 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.57 1qk1 h LEU 296 N 0.50 -0.09 -1.23 1.56 3.38 -1.93 -3.28 115.31 114.21 1qk1 h LEU 296 Ca 0.48 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1qk1 h LEU 296 Cb 0.78 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 1qk1 h LEU 296 CO -0.43 0.57 0.56 0.25 0.09 0.00 0.00 178.44 179.48 1qk1 h LEU 297 N -0.90 0.76 -1.32 1.67 5.85 -1.88 -1.80 115.31 117.70 1qk1 h LEU 297 Ca -0.01 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1qk1 h LEU 297 Cb 0.57 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1qk1 h LEU 297 CO 0.02 0.45 -0.06 0.77 -0.34 0.00 0.00 178.44 179.28 1qk1 h SER 298 N 0.84 0.36 -0.66 1.25 4.64 -1.15 -2.48 113.55 116.35 1qk1 h SER 298 Ca 0.40 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.61 1qk1 h SER 298 Cb 0.42 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1qk1 h SER 298 CO -0.17 0.47 0.25 0.11 -0.87 0.00 0.00 176.83 176.62 1qk1 h LYS 299 N 0.37 1.03 -6.97 4.77 1.79 -1.38 -3.45 116.57 112.73 1qk1 h LYS 299 Ca 0.08 -0.19 -0.56 0.00 -2.18 0.00 0.00 60.65 57.80 1qk1 h LYS 299 Cb 0.35 -0.17 0.15 0.00 -1.58 0.00 0.00 32.23 30.98 1qk1 h LYS 299 CO 0.02 0.86 0.39 -3.47 -1.08 0.00 0.00 179.45 176.16 1qk1 n ASP 300 N -4.28 1.80 -0.01 0.86 -0.08 -0.94 -4.93 116.55 108.97 1qk1 n ASP 300 Ca 0.06 0.88 0.13 0.00 -1.51 0.00 0.00 54.79 54.35 1qk1 n ASP 300 Cb 0.19 -1.50 0.44 0.00 2.34 0.00 0.00 41.12 42.60 1qk1 n ASP 300 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1qk1 n SER 301 N -1.09 0.27 0.02 1.67 3.41 -1.26 -3.42 113.62 113.22 1qk1 n SER 301 Ca 0.13 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1qk1 n SER 301 Cb 0.46 -0.12 0.27 0.00 -0.26 0.00 0.00 64.21 64.56 1qk1 n SER 301 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qk1 n ARG 302 N -1.48 0.07 -0.21 4.33 1.74 -1.26 -4.36 116.66 115.49 1qk1 n ARG 302 Ca 0.07 0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 57.12 1qk1 n ARG 302 Cb 0.34 -1.55 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1qk1 n ARG 302 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1qk1 h PHE 303 N 0.00 -0.95 -0.74 -1.55 3.57 -1.79 -0.21 116.94 115.27 1qk1 h PHE 303 Ca 0.00 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1qk1 h PHE 303 Cb 0.56 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1qk1 h PHE 303 CO 0.00 -0.39 0.43 -1.35 -2.23 0.00 0.00 178.31 174.77 1qk1 h PRO 304 N -0.16 0.75 -0.20 6.41 0.11 -1.85 -0.95 132.00 136.12 1qk1 h PRO 304 Ca 0.24 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.20 1qk1 h PRO 304 Cb 0.55 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1qk1 h PRO 304 CO -0.70 0.50 -0.31 -0.22 -0.21 0.00 0.00 178.00 177.06 1qk1 h LYS 305 N 0.78 0.39 -0.24 1.05 1.63 -1.62 -0.66 116.57 117.90 1qk1 h LYS 305 Ca 0.33 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1qk1 h LYS 305 Cb 0.20 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1qk1 h LYS 305 CO -0.19 0.66 -0.00 0.82 -3.45 0.00 0.00 179.45 177.29 1qk1 h ILE 306 N 0.34 1.26 0.00 2.00 2.04 -0.24 -1.38 117.51 121.54 1qk1 h ILE 306 Ca 0.05 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.01 1qk1 h ILE 306 Cb 0.71 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1qk1 h ILE 306 CO 0.05 0.28 -0.09 -0.07 0.00 0.00 0.00 178.15 178.33 1qk1 h LEU 307 N 0.20 -0.25 -0.53 1.44 4.07 -0.97 -2.13 115.31 117.14 1qk1 h LEU 307 Ca 0.07 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.14 1qk1 h LEU 307 Cb 0.42 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.20 1qk1 h LEU 307 CO 0.01 -0.13 0.20 -0.08 -1.08 0.00 0.00 178.44 177.36 1qk1 h GLU 308 N -0.15 0.38 0.00 1.13 4.81 -1.01 -1.46 114.58 118.27 1qk1 h GLU 308 Ca 0.03 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1qk1 h GLU 308 Cb 0.20 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1qk1 h GLU 308 CO -0.09 0.25 -0.27 -0.91 -0.73 0.00 0.00 179.01 177.26 1qk1 h ASN 309 N 0.39 0.00 0.03 1.04 4.21 -1.04 -2.15 115.58 118.06 1qk1 h ASN 309 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 1qk1 h ASN 309 Cb 0.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1qk1 h ASN 309 CO -0.25 0.27 -0.04 0.18 -1.29 0.00 0.00 177.43 176.30 1qk1 n LEU 310 N -3.74 1.34 -3.45 1.61 4.77 -0.75 -3.07 117.00 113.71 1qk1 n LEU 310 Ca -0.01 -0.43 -0.18 0.00 -0.03 0.00 0.00 56.01 55.36 1qk1 n LEU 310 Cb 0.37 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1qk1 n LEU 310 CO 0.35 0.23 0.13 0.54 -1.33 0.00 0.00 177.39 177.31 1qk1 n ARG 311 N -0.03 -6.83 -4.32 3.23 1.74 -0.63 -4.91 116.66 104.92 1qk1 n ARG 311 Ca 0.18 0.84 -0.21 0.00 -0.77 0.00 0.00 57.85 57.89 1qk1 n ARG 311 Cb 0.34 -5.86 -0.11 0.00 -1.02 0.00 0.00 32.46 25.81 1qk1 n ARG 311 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qk1 s LEU 312 N -6.50 2.43 0.11 0.55 1.43 -0.70 -2.24 118.68 113.77 1qk1 s LEU 312 Ca 0.10 -0.85 0.06 0.00 -1.03 0.00 0.00 54.13 52.40 1qk1 s LEU 312 Cb -0.04 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1qk1 s LEU 312 CO 0.73 -0.05 -0.14 0.00 0.23 0.00 0.00 176.35 177.12 1qk1 s GLN 313 N -2.77 0.99 0.19 1.70 -2.07 -0.25 -4.29 119.66 113.16 1qk1 s GLN 313 Ca 0.15 -1.19 0.10 0.00 -1.82 0.00 0.00 55.36 52.60 1qk1 s GLN 313 Cb -0.06 -0.90 -0.04 0.00 -1.09 0.00 0.00 33.01 30.92 1qk1 s GLN 313 CO 0.06 0.18 -0.20 -1.59 -1.32 0.00 0.00 175.29 172.41 1qk1 s LYS 314 N -2.50 1.41 0.35 9.60 -2.85 -1.26 -2.00 119.74 122.49 1qk1 s LYS 314 Ca 0.07 -1.50 -0.14 0.00 -1.00 0.00 0.00 55.97 53.40 1qk1 s LYS 314 Cb -0.06 -1.55 0.04 0.00 -2.06 0.00 0.00 37.83 34.19 1qk1 s LYS 314 CO 0.03 0.32 0.70 -0.98 0.10 0.00 0.00 175.35 175.51 1qk1 s ARG 315 N -2.88 2.05 0.00 1.78 1.70 -0.76 -4.98 118.95 115.87 1qk1 s ARG 315 Ca 0.19 -1.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.04 1qk1 s ARG 315 Cb -0.06 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 34.90 1qk1 s ARG 315 CO 0.09 -0.93 0.00 0.41 -1.08 0.00 0.00 175.30 173.78 1qk1 n GLY 316 N -0.51 1.00 0.00 3.88 0.00 -1.26 -1.81 105.19 106.49 1qk1 n GLY 316 Ca -0.05 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1qk1 n GLY 316 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qk1 n THR 317 N 0.00 0.00 0.00 2.61 -1.04 -1.22 -4.41 114.28 110.22 1qk1 n THR 317 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1qk1 n THR 317 Cb 0.00 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1qk1 n THR 317 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qk1 n GLY 318 N 3.94 0.68 0.00 3.41 0.00 -1.26 -4.75 105.19 107.21 1qk1 n GLY 318 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qk1 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qk1 n GLY 319 N -1.62 -1.28 0.00 -0.02 0.00 -1.26 -4.88 105.19 96.12 1qk1 n GLY 319 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qk1 n GLY 319 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qk1 n VAL 320 N 0.00 0.00 -1.16 1.61 0.24 -1.26 -4.96 118.33 112.79 1qk1 n VAL 320 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1qk1 n VAL 320 Cb 0.00 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 1qk1 n VAL 320 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1qk1 n ASP 321 N -0.21 0.00 -0.07 -1.34 5.75 -1.26 -5.04 116.55 114.37 1qk1 n ASP 321 Ca 0.00 -0.47 0.03 0.00 -0.01 0.00 0.00 54.79 54.34 1qk1 n ASP 321 Cb 0.06 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.20 1qk1 n ASP 321 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1qk1 n THR 322 N 0.00 1.08 -1.55 2.12 -2.24 -1.26 -4.87 114.28 107.56 1qk1 n THR 322 Ca 0.00 -1.21 -0.13 0.00 -2.27 0.00 0.00 64.05 60.44 1qk1 n THR 322 Cb 0.12 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.56 1qk1 n THR 322 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qk1 n ALA 323 N -0.71 0.29 -3.97 6.98 0.00 -1.26 -3.27 120.51 118.56 1qk1 n ALA 323 Ca 0.05 -1.77 -0.28 0.00 0.00 0.00 0.00 53.44 51.44 1qk1 n ALA 323 Cb 0.46 -3.18 -0.01 0.00 0.00 0.00 0.00 19.45 16.72 1qk1 n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qk1 n ALA 324 N 18.43 -1.76 -1.00 0.00 0.00 -1.26 -4.55 120.51 130.36 1qk1 n ALA 324 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1qk1 n ALA 324 Cb 0.44 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1qk1 n ALA 324 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1qk1 n THR 325 N -4.42 0.00 -3.33 0.00 5.66 -1.20 -4.88 114.28 106.11 1qk1 n THR 325 Ca -0.19 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.36 1qk1 n THR 325 Cb 0.63 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.40 1qk1 n THR 325 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1qk1 s GLY 326 N 0.00 3.17 0.00 1.09 0.00 -1.26 -4.55 107.32 105.77 1qk1 s GLY 326 Ca 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 44.72 40.93 1qk1 s GLY 326 CO 0.00 1.35 0.00 0.61 0.00 0.00 0.00 173.10 175.06 1qk1 n GLY 327 N 2.84 0.71 3.55 0.20 0.00 -1.26 -4.84 105.19 106.40 1qk1 n GLY 327 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1qk1 n GLY 327 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qk1 s VAL 328 N -2.74 4.92 0.27 1.61 1.01 -1.26 -1.11 120.40 123.10 1qk1 s VAL 328 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.07 1qk1 s VAL 328 Cb 0.00 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 1qk1 s VAL 328 CO 0.00 0.31 -0.04 -0.36 0.00 0.00 0.00 175.10 175.01 1qk1 s PHE 329 N 1.52 1.89 -0.38 5.22 0.40 -0.27 -3.94 117.98 122.42 1qk1 s PHE 329 Ca 0.06 -0.75 -0.07 0.00 -0.60 0.00 0.00 56.93 55.57 1qk1 s PHE 329 Cb -0.15 -1.09 0.06 0.00 0.51 0.00 0.00 43.02 42.35 1qk1 s PHE 329 CO 0.07 0.21 0.17 0.34 0.70 0.00 0.00 175.22 176.70 1qk1 s ASP 330 N -3.42 5.40 -0.14 1.36 -1.08 -0.75 -0.98 116.67 117.05 1qk1 s ASP 330 Ca 0.30 -1.40 -0.03 0.00 -0.52 0.00 0.00 52.55 50.89 1qk1 s ASP 330 Cb 0.04 -1.90 -0.03 0.00 -1.46 0.00 0.00 42.92 39.58 1qk1 s ASP 330 CO 0.12 -0.43 -0.03 -0.63 0.52 0.00 0.00 175.17 174.72 1qk1 s ILE 331 N 1.37 3.98 0.25 4.11 -1.09 -0.70 -1.83 121.20 127.29 1qk1 s ILE 331 Ca 0.01 -0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 1qk1 s ILE 331 Cb -0.21 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 37.93 1qk1 s ILE 331 CO 0.01 0.51 0.45 -0.94 -1.23 0.00 0.00 174.94 173.75 1qk1 s SER 332 N 0.16 -0.02 0.49 3.58 1.04 -0.85 -1.29 113.70 116.82 1qk1 s SER 332 Ca -0.01 -1.00 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 1qk1 s SER 332 Cb -0.14 0.58 -0.06 0.00 0.10 0.00 0.00 66.02 66.50 1qk1 s SER 332 CO 0.03 -1.13 1.23 0.54 0.98 0.00 0.00 173.24 174.88 1qk1 s ASN 333 N -3.04 5.85 -0.16 7.02 4.22 -1.07 -1.09 114.94 126.67 1qk1 s ASN 333 Ca 0.24 2.46 -0.17 0.00 -2.14 0.00 0.00 52.86 53.26 1qk1 s ASN 333 Cb -0.00 -2.61 -0.23 0.00 1.28 0.00 0.00 41.25 39.68 1qk1 s ASN 333 CO 0.10 -1.15 0.36 0.25 -2.04 0.00 0.00 177.10 174.63 1qk1 h LEU 334 N 1.83 0.20-10.22 3.54 7.12 -1.77 -3.44 115.31 112.58 1qk1 h LEU 334 Ca -0.50 -0.73 -0.49 0.00 0.13 0.00 0.00 57.88 56.29 1qk1 h LEU 334 Cb 1.27 -0.07 0.06 0.00 -0.53 0.00 0.00 40.66 41.39 1qk1 h LEU 334 CO 0.59 1.60 0.38 -1.81 -0.13 0.00 0.00 178.44 179.07 1qk1 s ASP 335 N -6.92 5.88 0.00 1.25 1.01 -1.26 -4.99 116.67 111.63 1qk1 s ASP 335 Ca -0.24 1.74 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1qk1 s ASP 335 Cb 0.05 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1qk1 s ASP 335 CO 0.69 -1.10 0.00 -1.14 0.21 0.00 0.00 175.17 173.82 1qk1 n ARG 336 N -2.13 0.00 -5.27 8.23 0.63 -1.26 -4.90 116.66 111.95 1qk1 n ARG 336 Ca 0.08 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.70 1qk1 n ARG 336 Cb 0.53 -0.46 -0.16 0.00 0.45 0.00 0.00 32.46 32.82 1qk1 n ARG 336 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1qk1 s LEU 337 N -1.95 2.09 0.00 6.15 0.20 -1.26 -2.01 118.68 121.90 1qk1 s LEU 337 Ca 0.00 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.35 1qk1 s LEU 337 Cb 0.00 -1.36 0.00 0.00 -0.43 0.00 0.00 46.19 44.40 1qk1 s LEU 337 CO 0.00 0.29 0.00 0.61 -0.29 0.00 0.00 176.35 176.96 1qk1 n GLY 338 N 2.62 0.51 2.97 7.98 0.00 -1.26 -4.98 105.19 113.03 1qk1 n GLY 338 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1qk1 n GLY 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qk1 s LYS 339 N -0.92 0.16 0.81 1.61 1.02 -1.26 -3.84 119.74 117.32 1qk1 s LYS 339 Ca 0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 1qk1 s LYS 339 Cb 0.00 0.07 0.08 0.00 -0.52 0.00 0.00 37.83 37.46 1qk1 s LYS 339 CO 0.00 -0.03 1.09 -1.54 -0.92 0.00 0.00 175.35 173.96 1qk1 s SER 340 N -0.34 4.33 0.37 2.83 1.04 -1.25 -4.79 113.70 115.89 1qk1 s SER 340 Ca -0.04 1.36 0.10 0.00 0.48 0.00 0.00 55.95 57.85 1qk1 s SER 340 Cb -0.03 -2.09 0.74 0.00 0.10 0.00 0.00 66.02 64.74 1qk1 s SER 340 CO 0.00 -2.08 1.87 1.05 0.98 0.00 0.00 173.24 175.06 1qk1 h GLU 341 N -1.16 0.17 -0.37 4.02 9.09 -1.82 -1.04 114.58 123.46 1qk1 h GLU 341 Ca -0.47 -0.05 -0.05 0.00 0.05 0.00 0.00 59.36 58.84 1qk1 h GLU 341 Cb 1.27 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 1qk1 h GLU 341 CO 0.58 0.40 0.04 0.28 0.05 0.00 0.00 179.01 180.36 1qk1 h VAL 342 N 0.16 1.25 -0.45 -1.06 2.07 -1.90 -1.01 116.25 115.30 1qk1 h VAL 342 Ca 0.03 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1qk1 h VAL 342 Cb 0.49 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1qk1 h VAL 342 CO 0.03 0.30 0.06 -0.33 0.02 0.00 0.00 177.57 177.66 1qk1 h GLU 343 N 0.47 0.70 -0.23 1.57 5.08 -1.77 -1.85 114.58 118.55 1qk1 h GLU 343 Ca 0.11 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1qk1 h GLU 343 Cb 0.40 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1qk1 h GLU 343 CO 0.01 0.68 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.19 1qk1 h LEU 344 N 0.67 0.79 -0.46 1.33 3.38 -0.91 -1.34 115.31 118.77 1qk1 h LEU 344 Ca 0.14 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 1qk1 h LEU 344 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1qk1 h LEU 344 CO 0.01 1.18 0.05 0.58 0.09 0.00 0.00 178.44 180.35 1qk1 h VAL 345 N 0.42 1.25 -0.67 1.22 2.07 -1.12 -1.67 116.25 117.76 1qk1 h VAL 345 Ca 0.01 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1qk1 h VAL 345 Cb 1.04 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1qk1 h VAL 345 CO 0.10 0.33 0.41 -0.61 0.02 0.00 0.00 177.57 177.82 1qk1 h GLN 346 N 0.64 0.78 -0.61 1.57 5.75 -1.32 0.27 115.11 122.18 1qk1 h GLN 346 Ca 0.14 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1qk1 h GLN 346 Cb 0.42 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1qk1 h GLN 346 CO 0.01 0.52 0.33 1.25 -2.65 0.00 0.00 178.83 178.29 1qk1 h LEU 347 N 0.81 0.75 -0.23 -2.39 6.46 -0.98 0.15 115.31 119.88 1qk1 h LEU 347 Ca 0.27 -0.06 -0.17 0.00 -0.12 0.00 0.00 57.88 57.80 1qk1 h LEU 347 Cb 0.03 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1qk1 h LEU 347 CO -0.11 0.61 -0.52 0.58 -0.62 0.00 0.00 178.44 178.38 1qk1 h VAL 348 N 0.85 1.30 -0.18 1.05 2.07 -0.40 -1.07 116.25 119.88 1qk1 h VAL 348 Ca 0.22 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1qk1 h VAL 348 Cb 0.03 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1qk1 h VAL 348 CO -0.03 0.55 0.11 0.40 0.02 0.00 0.00 177.57 178.61 1qk1 h ILE 349 N 0.50 1.07 -0.53 4.57 2.04 -0.47 0.16 117.51 124.84 1qk1 h ILE 349 Ca -0.00 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1qk1 h ILE 349 Cb 1.14 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1qk1 h ILE 349 CO 0.12 0.06 0.09 0.44 0.00 0.00 0.00 178.15 178.86 1qk1 h ASP 350 N 0.21 0.85 -0.51 1.72 3.32 -0.98 -1.94 116.42 119.09 1qk1 h ASP 350 Ca 0.06 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 1qk1 h ASP 350 Cb 0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1qk1 h ASP 350 CO -0.01 0.89 0.04 1.23 -1.72 0.00 0.00 179.24 179.67 1qk1 h GLY 351 N 0.77 0.94 1.49 2.75 0.00 -0.93 -2.11 103.07 105.98 1qk1 h GLY 351 Ca 0.16 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1qk1 h GLY 351 CO 0.01 0.61 -0.37 -2.08 0.00 0.00 0.00 176.54 174.71 1qk1 h VAL 352 N 0.74 1.29 -0.71 4.60 2.07 -0.63 -2.01 116.25 121.61 1qk1 h VAL 352 Ca 0.15 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.11 1qk1 h VAL 352 Cb 0.46 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1qk1 h VAL 352 CO 0.02 0.48 0.24 0.78 0.02 0.00 0.00 177.57 179.11 1qk1 h ASN 353 N 0.48 1.00 -0.03 0.57 2.35 -1.23 -0.79 115.58 117.94 1qk1 h ASN 353 Ca 0.05 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1qk1 h ASN 353 Cb 0.86 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1qk1 h ASN 353 CO 0.07 0.92 -0.18 0.22 -1.65 0.00 0.00 177.43 176.81 1qk1 h TYR 354 N 1.04 0.42 -0.13 1.19 5.03 -1.04 0.03 116.97 123.51 1qk1 h TYR 354 Ca 0.23 -0.07 -0.02 0.00 2.58 0.00 0.00 58.73 61.45 1qk1 h TYR 354 Cb 0.26 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.43 1qk1 h TYR 354 CO 0.02 0.55 -0.00 -0.07 -1.32 0.00 0.00 178.16 177.34 1qk1 h LEU 355 N 0.35 0.22 -1.23 2.82 4.07 -0.75 -0.87 115.31 119.92 1qk1 h LEU 355 Ca 0.06 -0.31 0.06 0.00 0.08 0.00 0.00 57.88 57.77 1qk1 h LEU 355 Cb 0.53 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.16 1qk1 h LEU 355 CO 0.03 0.48 0.54 0.40 -1.08 0.00 0.00 178.44 178.81 1qk1 h ILE 356 N -0.05 1.07 -0.47 1.22 2.04 -0.76 0.26 117.51 120.82 1qk1 h ILE 356 Ca 0.04 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1qk1 h ILE 356 Cb 0.36 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1qk1 h ILE 356 CO 0.01 0.17 -0.22 -0.78 0.00 0.00 0.00 178.15 177.33 1qk1 h ASP 357 N 0.95 1.01 -0.50 1.72 3.58 -0.77 -2.19 116.42 120.21 1qk1 h ASP 357 Ca 0.35 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 1qk1 h ASP 357 Cb 0.16 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1qk1 h ASP 357 CO -0.12 1.19 0.06 0.00 -2.88 0.00 0.00 179.24 177.49 1qk1 h GLU 359 N 0.72 0.00 -0.70 0.00 4.57 -0.78 -1.63 114.58 116.77 1qk1 h GLU 359 Ca 0.15 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1qk1 h GLU 359 Cb 0.43 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1qk1 h GLU 359 CO 0.01 0.00 0.43 0.00 -1.18 0.00 0.00 179.01 178.28 1qk1 h ARG 360 N 0.00 0.93 -0.59 1.92 3.08 -1.30 -0.17 114.38 118.25 1qk1 h ARG 360 Ca 0.10 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1qk1 h ARG 360 Cb 0.16 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1qk1 h ARG 360 CO -0.22 0.64 0.19 0.00 -1.07 0.00 0.00 179.97 179.51 1qk1 h ARG 361 N 0.95 0.91 -0.29 0.04 3.08 -0.78 -2.63 114.38 115.67 1qk1 h ARG 361 Ca 0.25 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1qk1 h ARG 361 Cb -0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1qk1 h ARG 361 CO -0.05 0.81 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.34 1qk1 h LEU 362 N 0.83 0.57 -1.44 3.04 3.38 -0.67 0.91 115.31 121.93 1qk1 h LEU 362 Ca 0.19 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1qk1 h LEU 362 Cb 0.27 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1qk1 h LEU 362 CO -0.01 0.81 0.38 -0.33 0.09 0.00 0.00 178.44 179.38 1qk1 h GLU 363 N 0.50 0.75 -1.19 1.13 5.08 -0.70 -2.53 114.58 117.62 1qk1 h GLU 363 Ca 0.07 -0.05 -0.65 0.00 -1.00 0.00 0.00 59.36 57.74 1qk1 h GLU 363 Cb 0.70 -0.17 -0.34 0.00 0.50 0.00 0.00 28.75 29.44 1qk1 h GLU 363 CO 0.05 0.50 0.24 2.89 -1.00 0.00 0.00 179.01 181.69 1qk1 n ARG 364 N -4.45 3.05 -1.24 2.33 1.85 -1.06 -4.94 116.66 112.20 1qk1 n ARG 364 Ca 0.06 -3.74 -0.11 0.00 -1.00 0.00 0.00 57.85 53.06 1qk1 n ARG 364 Cb 0.05 -2.28 -0.05 0.00 -1.05 0.00 0.00 32.46 29.13 1qk1 n ARG 364 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qk1 n GLY 365 N -0.73 1.04 3.98 2.89 0.00 -0.95 -4.97 105.19 106.44 1qk1 n GLY 365 Ca 0.53 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.30 1qk1 n GLY 365 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qk1 s GLN 366 N -2.78 1.31 0.10 1.61 -0.21 0.29 -5.00 119.66 114.99 1qk1 s GLN 366 Ca 0.00 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 54.47 1qk1 s GLN 366 Cb 0.00 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 1qk1 s GLN 366 CO 0.00 -1.77 -0.05 0.34 -2.12 0.00 0.00 175.29 171.69 1qk1 s ASP 367 N -4.81 4.70 0.25 5.90 2.15 -1.26 -4.29 116.67 119.31 1qk1 s ASP 367 Ca 0.69 -0.30 0.09 0.00 0.43 0.00 0.00 52.55 53.47 1qk1 s ASP 367 Cb -0.04 -1.01 -0.04 0.00 -0.30 0.00 0.00 42.92 41.53 1qk1 s ASP 367 CO 0.47 0.17 -0.02 0.27 -0.17 0.00 0.00 175.17 175.89 1qk1 s ILE 368 N -1.30 3.41 0.21 4.11 -5.25 -1.26 -4.95 121.20 116.17 1qk1 s ILE 368 Ca 0.24 -1.89 0.10 0.00 -0.99 0.00 0.00 60.65 58.11 1qk1 s ILE 368 Cb -0.11 -2.80 -0.05 0.00 2.95 0.00 0.00 42.46 42.45 1qk1 s ILE 368 CO 0.16 -0.34 -0.19 0.00 -1.79 0.00 0.00 174.94 172.78 1qk1 s ARG 369 N -3.56 1.44 0.01 0.37 3.03 -1.26 -5.11 118.95 113.88 1qk1 s ARG 369 Ca 0.31 -1.57 -0.30 0.00 2.03 0.00 0.00 55.73 56.19 1qk1 s ARG 369 Cb -0.07 -1.49 -0.04 0.00 -1.03 0.00 0.00 34.95 32.32 1qk1 s ARG 369 CO 0.19 0.29 1.11 0.42 -1.13 0.00 0.00 175.30 176.18 1qk1 s ILE 370 N -2.32 4.41 0.72 4.99 1.01 -1.26 -5.01 121.20 123.75 1qk1 s ILE 370 Ca 0.22 1.73 -0.11 0.00 0.00 0.00 0.00 60.65 62.49 1qk1 s ILE 370 Cb -0.05 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.34 1qk1 s ILE 370 CO 0.10 0.11 1.07 -2.16 0.00 0.00 0.00 174.94 174.05 1qk1 s PRO 371 N 1.27 2.73 0.32 2.79 0.04 -1.26 -5.02 135.00 135.86 1qk1 s PRO 371 Ca 0.55 0.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 1qk1 s PRO 371 Cb -0.25 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1qk1 s PRO 371 CO 0.27 -1.22 0.98 -0.08 0.04 0.00 0.00 177.00 176.99 1qk1 s THR 372 N -3.08 4.00 0.94 1.26 -1.32 -1.26 -4.91 115.64 111.27 1qk1 s THR 372 Ca 0.59 1.74 -0.11 0.00 -1.21 0.00 0.00 61.69 62.69 1qk1 s THR 372 Cb -0.14 -4.00 0.09 0.00 -1.51 0.00 0.00 72.50 66.94 1qk1 s THR 372 CO 0.55 0.21 0.76 -2.65 -2.21 0.00 0.00 174.62 171.28 1qk1 n PRO 373 N 0.70 -0.40 -3.34 7.08 -0.02 -1.26 -4.89 135.00 132.87 1qk1 n PRO 373 Ca 0.01 -0.06 -0.27 0.00 -2.02 0.00 0.00 63.50 61.16 1qk1 n PRO 373 Cb 0.49 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1qk1 n PRO 373 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1qk1 s VAL 374 N -2.51 5.06 0.00 -1.45 -7.23 -1.17 -5.06 120.40 108.03 1qk1 s VAL 374 Ca 0.62 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1qk1 s VAL 374 Cb -0.22 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1qk1 s VAL 374 CO 0.63 -0.43 0.00 2.30 -0.31 0.00 0.00 175.10 177.29 1qk1 n ILE 375 N -1.31 0.00 -0.24 -0.62 -6.64 -1.26 -5.07 119.36 104.22 1qk1 n ILE 375 Ca -0.03 0.00 -0.05 0.00 -1.77 0.00 0.00 62.75 60.91 1qk1 n ILE 375 Cb 0.55 0.00 0.04 0.00 -1.44 0.00 0.00 39.64 38.79 1qk1 n ILE 375 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1qk1 n HIS 376 N 0.00 -1.31 0.00 4.28 1.44 -1.26 -5.10 115.22 113.27 1qk1 n HIS 376 Ca 0.00 0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1qk1 n HIS 376 Cb 0.00 -0.57 0.00 0.00 0.12 0.00 0.00 29.99 29.54 1qk1 n HIS 376 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1qk1 n THR 377 N -3.04 0.00 0.00 0.61 -2.24 -1.26 -5.07 114.28 103.28 1qk1 n THR 377 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1qk1 n THR 377 Cb 0.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1qk1 n THR 377 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qk1 n LYS 378 N 0.00 0.00 0.00 -0.78 3.00 -1.25 -4.71 118.16 114.42 1qk1 n LYS 378 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qk1 n LYS 378 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1qk1 n LYS 378 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98