#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk1 h ALA 2 N 0.00 0.48 -1.82 0.00 0.00 -2.11 -3.48 119.26 112.33 1qk1 h ALA 2 Ca 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 54.91 53.69 1qk1 h ALA 2 Cb 0.00 0.32 -0.21 0.00 0.00 0.00 0.00 17.79 17.90 1qk1 h ALA 2 CO 0.00 1.34 0.37 -1.54 0.00 0.00 0.00 179.25 179.42 1qk1 s SER 3 N -6.62 -0.51 -0.09 0.00 1.04 -1.26 -5.18 113.70 101.08 1qk1 s SER 3 Ca -0.07 0.53 -0.08 0.00 0.48 0.00 0.00 55.95 56.80 1qk1 s SER 3 Cb 0.08 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1qk1 s SER 3 CO 0.83 -0.49 0.24 -0.70 0.98 0.00 0.00 173.24 174.10 1qk1 s GLU 4 N -1.27 0.28 -0.01 4.02 2.56 -1.26 -5.03 118.70 118.00 1qk1 s GLU 4 Ca -0.06 0.34 0.17 0.00 0.00 0.00 0.00 54.97 55.42 1qk1 s GLU 4 Cb -0.00 0.14 -0.21 0.00 2.00 0.00 0.00 34.13 36.05 1qk1 s GLU 4 CO 0.05 -0.03 0.58 0.54 -0.56 0.00 0.00 175.26 175.84 1qk1 n ARG 5 N 2.95 1.15 -2.71 4.30 5.12 -1.26 -4.95 116.66 121.25 1qk1 n ARG 5 Ca -0.13 -0.06 -0.34 0.00 -1.93 0.00 0.00 57.85 55.39 1qk1 n ARG 5 Cb 0.58 -1.33 -0.06 0.00 -1.16 0.00 0.00 32.46 30.50 1qk1 n ARG 5 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1qk1 s ARG 6 N -2.80 4.19 0.02 5.56 1.81 -1.26 -5.04 118.95 121.43 1qk1 s ARG 6 Ca 0.02 1.27 -0.14 0.00 -1.72 0.00 0.00 55.73 55.15 1qk1 s ARG 6 Cb 0.12 -2.33 -0.06 0.00 -0.45 0.00 0.00 34.95 32.23 1qk1 s ARG 6 CO 0.69 -0.07 0.42 1.03 -0.68 0.00 0.00 175.30 176.69 1qk1 s ARG 7 N -2.88 3.91 0.34 3.54 1.81 -1.26 -5.08 118.95 119.33 1qk1 s ARG 7 Ca 0.60 0.40 -0.16 0.00 -1.72 0.00 0.00 55.73 54.86 1qk1 s ARG 7 Cb -0.14 -3.18 -0.09 0.00 -0.45 0.00 0.00 34.95 31.08 1qk1 s ARG 7 CO 0.19 0.67 0.77 -0.51 -0.68 0.00 0.00 175.30 175.73 1qk1 s LEU 8 N -1.21 4.04 0.24 2.53 1.43 -1.26 -4.99 118.68 119.46 1qk1 s LEU 8 Ca 0.26 1.33 -0.31 0.00 -1.03 0.00 0.00 54.13 54.37 1qk1 s LEU 8 Cb -0.16 -4.14 -0.12 0.00 0.03 0.00 0.00 46.19 41.79 1qk1 s LEU 8 CO 0.14 -0.23 1.57 -1.22 0.23 0.00 0.00 176.35 176.84 1qk1 n TYR 9 N -0.43 2.57 -1.32 0.29 4.01 -1.26 -4.92 117.16 116.10 1qk1 n TYR 9 Ca 0.04 0.26 -0.32 0.00 -0.16 0.00 0.00 57.90 57.72 1qk1 n TYR 9 Cb 0.53 -2.57 0.09 0.00 -0.31 0.00 0.00 39.34 37.09 1qk1 n TYR 9 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1qk1 s PRO 10 N 0.04 2.18 0.24 -0.72 0.04 -1.26 -4.87 135.00 130.65 1qk1 s PRO 10 Ca 0.69 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 63.03 1qk1 s PRO 10 Cb -0.57 -1.87 0.41 0.00 0.04 0.00 0.00 34.50 32.51 1qk1 s PRO 10 CO 0.44 -1.73 1.62 -1.35 0.04 0.00 0.00 177.00 176.03 1qk1 h PRO 11 N -0.82 0.07 -0.03 0.56 0.11 -1.96 0.22 132.00 130.15 1qk1 h PRO 11 Ca -0.45 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1qk1 h PRO 11 Cb 1.25 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qk1 h PRO 11 CO 0.50 0.04 0.05 0.77 -0.21 0.00 0.00 178.00 179.15 1qk1 h SER 12 N 0.07 0.00 0.78 -2.05 0.02 -1.94 -0.41 113.55 110.03 1qk1 h SER 12 Ca 0.40 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.32 1qk1 h SER 12 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1qk1 h SER 12 CO -0.70 0.00 -0.17 0.00 -1.14 0.00 0.00 176.83 174.82 1qk1 h ALA 13 N 1.93 1.08 -0.01 3.77 0.00 -1.28 -2.87 119.26 121.88 1qk1 h ALA 13 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qk1 h ALA 13 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qk1 h ALA 13 CO -0.00 0.21 -0.63 0.39 0.00 0.00 0.00 179.25 179.22 1qk1 n GLU 14 N -3.40 0.85 -1.68 0.00 -0.58 -0.19 -4.99 120.64 110.65 1qk1 n GLU 14 Ca -0.00 -0.70 -0.45 0.00 -0.42 0.00 0.00 57.16 55.59 1qk1 n GLU 14 Cb 0.36 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 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 -0.47 2.26 -2.31 -0.32 9.36 -1.05 -4.95 117.16 119.68 1qk1 n TYR 15 Ca 0.08 0.35 -0.34 0.00 3.32 0.00 0.00 57.90 61.32 1qk1 n TYR 15 Cb 0.43 -2.50 -0.01 0.00 -0.63 0.00 0.00 39.34 36.62 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 0.09 3.56 -0.63 2.98 0.04 -1.26 -4.98 135.00 134.80 1qk1 s PRO 16 Ca 0.72 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 1qk1 s PRO 16 Cb -0.65 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 31.90 1qk1 s PRO 16 CO 0.45 -0.63 0.94 0.34 0.04 0.00 0.00 177.00 178.14 1qk1 s ASP 17 N -2.30 6.21 -0.22 6.66 -1.08 -1.26 -4.87 116.67 119.80 1qk1 s ASP 17 Ca 0.66 -0.87 0.14 0.00 -0.52 0.00 0.00 52.55 51.96 1qk1 s ASP 17 Cb -0.17 -2.41 0.58 0.00 -1.46 0.00 0.00 42.92 39.45 1qk1 s ASP 17 CO 0.28 -1.37 1.51 0.18 0.52 0.00 0.00 175.17 176.28 1qk1 n LEU 18 N 7.57 4.37 0.25 -1.34 4.77 -1.26 -4.72 117.00 126.63 1qk1 n LEU 18 Ca -0.03 -3.18 0.09 0.00 -0.03 0.00 0.00 56.01 52.86 1qk1 n LEU 18 Cb 0.46 -0.60 0.64 0.00 -2.33 0.00 0.00 43.42 41.59 1qk1 n LEU 18 CO 0.63 0.79 1.08 0.03 -1.33 0.00 0.00 177.39 178.60 1qk1 h ARG 19 N 1.90 0.00 -0.48 3.23 3.08 -2.00 -2.30 114.38 117.81 1qk1 h ARG 19 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1qk1 h ARG 19 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.70 1qk1 h ARG 19 CO 0.35 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.88 1qk1 n LYS 20 N -4.53 3.22 -2.88 0.04 5.02 -1.26 -5.01 118.16 112.76 1qk1 n LYS 20 Ca -0.02 -2.60 -0.30 0.00 -2.02 0.00 0.00 58.31 53.37 1qk1 n LYS 20 Cb 0.12 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.71 3.47 -0.43 2.13 3.76 -0.87 -4.87 115.29 116.77 1qk1 s HIS 21 Ca 0.40 1.01 0.05 0.00 -0.15 0.00 0.00 55.06 56.37 1qk1 s HIS 21 Cb 0.26 -2.41 0.17 0.00 1.11 0.00 0.00 32.58 31.71 1qk1 s HIS 21 CO 0.19 -0.09 0.43 1.21 -0.85 0.00 0.00 174.74 175.63 1qk1 s ASN 22 N -3.19 0.72 0.14 1.40 2.47 0.65 -4.99 114.94 112.15 1qk1 s ASN 22 Ca 0.51 -2.70 -0.17 0.00 0.42 0.00 0.00 52.86 50.91 1qk1 s ASN 22 Cb -0.10 0.15 0.04 0.00 -1.45 0.00 0.00 41.25 39.89 1qk1 s ASN 22 CO 0.32 -0.14 0.44 0.54 -3.72 0.00 0.00 177.10 174.53 1qk1 s ASN 23 N 0.30 -0.28 0.27 -4.21 2.20 -1.26 -4.00 114.94 107.96 1qk1 s ASN 23 Ca 0.32 -0.30 -0.00 0.00 -0.94 0.00 0.00 52.86 51.93 1qk1 s ASN 23 Cb 0.02 0.50 0.50 0.00 -2.00 0.00 0.00 41.25 40.27 1qk1 s ASN 23 CO -0.16 -0.89 1.84 0.00 -2.94 0.00 0.00 177.10 174.95 1qk1 h MET 25 N 0.97 -0.12 -0.22 0.00 1.85 -1.47 -2.17 114.93 113.77 1qk1 h MET 25 Ca 0.47 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.55 1qk1 h MET 25 Cb 0.42 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 1qk1 h MET 25 CO -0.25 -0.08 0.04 0.00 -0.40 0.00 0.00 176.91 176.22 1qk1 h ALA 26 N 0.92 1.66 0.00 0.39 0.00 -1.73 -1.10 119.26 119.40 1qk1 h ALA 26 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qk1 h ALA 26 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qk1 h ALA 26 CO -0.14 0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.80 1qk1 n SER 27 N -4.40 0.60 0.00 0.00 7.64 -0.84 -3.73 113.62 112.89 1qk1 n SER 27 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1qk1 n SER 27 Cb 0.16 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 -2.14 0.00 -2.54 1.43 8.25 -0.73 -5.01 115.22 114.48 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 0.26 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.92 4.47 0.14 2.41 2.96 -0.49 -4.98 118.68 121.26 1qk1 s LEU 29 Ca 0.00 2.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.95 1qk1 s LEU 29 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1qk1 s LEU 29 CO 0.00 -0.24 -0.04 0.42 -1.32 0.00 0.00 176.35 175.17 1qk1 s THR 30 N 0.05 0.74 0.30 3.68 -4.23 -1.26 -4.98 115.64 109.94 1qk1 s THR 30 Ca 0.51 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1qk1 s THR 30 Cb -0.28 -1.90 0.28 0.00 1.34 0.00 0.00 72.50 71.93 1qk1 s THR 30 CO 0.33 -0.67 1.91 -0.65 -0.54 0.00 0.00 174.62 174.99 1qk1 h PRO 31 N 2.82 1.02 -0.33 3.99 0.11 -1.99 -0.42 132.00 137.20 1qk1 h PRO 31 Ca -0.36 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1qk1 h PRO 31 Cb 1.19 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1qk1 h PRO 31 CO 0.64 0.67 0.18 0.00 -0.21 0.00 0.00 178.00 179.28 1qk1 h ALA 32 N 1.50 0.43 -0.42 -0.75 0.00 -1.99 -0.57 119.26 117.46 1qk1 h ALA 32 Ca 0.39 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1qk1 h ALA 32 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qk1 h ALA 32 CO -0.15 -0.04 -0.02 0.28 0.00 0.00 0.00 179.25 179.32 1qk1 h VAL 33 N 0.41 1.26 -0.24 0.00 2.07 -1.83 -1.54 116.25 116.39 1qk1 h VAL 33 Ca 0.12 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1qk1 h VAL 33 Cb 0.07 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1qk1 h VAL 33 CO -0.02 0.36 0.15 0.22 0.02 0.00 0.00 177.57 178.31 1qk1 h TYR 34 N 0.59 0.29 -0.60 1.57 3.20 -0.91 -1.49 116.97 119.63 1qk1 h TYR 34 Ca 0.12 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1qk1 h TYR 34 Cb 0.52 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1qk1 h TYR 34 CO 0.04 0.18 0.19 0.00 -1.64 0.00 0.00 178.16 176.94 1qk1 h ALA 35 N 1.09 1.22 -0.18 1.82 0.00 -1.00 0.56 119.26 122.78 1qk1 h ALA 35 Ca 0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1qk1 h ALA 35 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1qk1 h ALA 35 CO -0.02 0.55 -0.35 -0.09 0.00 0.00 0.00 179.25 179.34 1qk1 h ARG 36 N 0.87 0.38 0.00 0.00 2.43 -0.92 -3.33 114.38 113.80 1qk1 h ARG 36 Ca 0.20 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1qk1 h ARG 36 Cb 0.24 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1qk1 h ARG 36 CO -0.01 0.69 -1.20 1.28 -1.51 0.00 0.00 179.97 179.21 1qk1 n LEU 37 N -4.06 0.50 0.22 3.80 4.77 -0.59 -4.55 117.00 117.08 1qk1 n LEU 37 Ca -0.01 -0.31 0.15 0.00 -0.03 0.00 0.00 56.01 55.81 1qk1 n LEU 37 Cb 0.46 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.35 1qk1 n LEU 37 CO 0.42 0.12 0.95 0.00 -1.33 0.00 0.00 177.39 177.56 1qk1 n ASP 39 N -2.53 0.42 -4.80 0.00 8.00 -1.26 -4.84 116.55 111.53 1qk1 n ASP 39 Ca -0.02 0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 1qk1 n ASP 39 Cb 0.05 1.25 0.04 0.00 -0.02 0.00 0.00 41.12 42.44 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 -3.41 3.03 0.02 -1.24 1.02 -0.69 -5.07 119.74 113.40 1qk1 s LYS 40 Ca -0.03 1.13 -0.12 0.00 0.02 0.00 0.00 55.97 56.96 1qk1 s LYS 40 Cb 0.12 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.45 1qk1 s LYS 40 CO 0.85 -1.04 0.25 -0.08 -0.92 0.00 0.00 175.35 174.41 1qk1 s THR 41 N -2.71 0.09 0.55 2.17 -1.32 -1.26 -4.52 115.64 108.64 1qk1 s THR 41 Ca 0.62 -0.70 -0.01 0.00 -1.21 0.00 0.00 61.69 60.38 1qk1 s THR 41 Cb -0.16 -0.79 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 1qk1 s THR 41 CO 0.46 -0.39 0.80 0.42 -2.21 0.00 0.00 174.62 173.70 1qk1 s THR 42 N -2.12 3.16 0.53 5.08 -4.23 -0.85 -4.92 115.64 112.30 1qk1 s THR 42 Ca -0.08 -0.44 0.28 0.00 -1.18 0.00 0.00 61.69 60.27 1qk1 s THR 42 Cb -0.03 -3.22 0.44 0.00 1.34 0.00 0.00 72.50 71.03 1qk1 s THR 42 CO -0.01 -0.18 1.94 -0.65 -0.54 0.00 0.00 174.62 175.18 1qk1 h PRO 43 N 0.02 0.01 -0.62 3.99 0.11 -1.97 0.99 132.00 134.54 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 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.61 1qk1 n THR 44 N -4.33 1.22 -0.57 -1.15 -2.24 -1.26 -4.95 114.28 101.00 1qk1 n THR 44 Ca 0.14 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1qk1 n THR 44 Cb 0.78 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.20 0.73 3.75 3.38 0.00 0.34 -5.06 105.19 109.54 1qk1 n GLY 45 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.27 3.33 0.41 1.61 -0.11 -1.26 -4.70 118.94 115.94 1qk1 s TRP 46 Ca 0.00 1.45 0.07 0.00 1.22 0.00 0.00 56.10 58.84 1qk1 s TRP 46 Cb 0.00 -3.50 -0.06 0.00 -1.50 0.00 0.00 33.47 28.41 1qk1 s TRP 46 CO 0.00 -1.37 0.10 0.95 -4.62 0.00 0.00 176.95 172.01 1qk1 s THR 47 N -0.61 2.14 0.14 5.86 -4.23 -1.26 -2.01 115.64 115.67 1qk1 s THR 47 Ca 0.50 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 1qk1 s THR 47 Cb -0.35 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.52 1qk1 s THR 47 CO 0.43 0.00 1.72 0.25 -0.54 0.00 0.00 174.62 176.47 1qk1 h LEU 48 N 1.58 0.58 -1.22 4.79 5.85 -1.82 -1.93 115.31 123.14 1qk1 h LEU 48 Ca -0.43 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.18 1qk1 h LEU 48 Cb 1.25 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1qk1 h LEU 48 CO 0.75 0.55 0.54 0.44 -0.34 0.00 0.00 178.44 180.38 1qk1 h ASP 49 N 0.56 0.87 0.47 1.25 3.32 -1.94 -1.34 116.42 119.63 1qk1 h ASP 49 Ca 0.15 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1qk1 h ASP 49 Cb 0.13 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1qk1 h ASP 49 CO -0.02 0.60 -0.52 1.56 -1.72 0.00 0.00 179.24 179.14 1qk1 h GLN 50 N 1.02 0.06 0.03 3.56 4.20 -1.86 -1.65 115.11 120.46 1qk1 h GLN 50 Ca 0.32 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1qk1 h GLN 50 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1qk1 h GLN 50 CO -0.09 0.57 -0.01 0.00 -0.67 0.00 0.00 178.83 178.62 1qk1 n ILE 52 N -5.04 0.00 -0.22 0.00 -5.35 -0.83 -1.82 119.36 106.10 1qk1 n ILE 52 Ca -0.08 -0.12 0.02 0.00 -0.27 0.00 0.00 62.75 62.31 1qk1 n ILE 52 Cb 0.11 0.18 0.13 0.00 -1.74 0.00 0.00 39.64 38.31 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 1.13 0.18 -0.37 6.28 5.75 -1.36 0.72 115.11 127.44 1qk1 h GLN 53 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1qk1 h GLN 53 Cb 0.42 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1qk1 h GLN 53 CO 0.00 0.12 0.20 0.00 -2.65 0.00 0.00 178.83 176.50 1qk1 h THR 54 N 0.19 1.12 0.00 2.39 1.03 -1.78 -0.88 112.91 114.98 1qk1 h THR 54 Ca 0.35 -0.32 -0.11 0.00 -0.01 0.00 0.00 66.41 66.33 1qk1 h THR 54 Cb 0.58 0.63 -0.02 0.00 -1.07 0.00 0.00 68.15 68.27 1qk1 h THR 54 CO -0.51 0.13 -0.51 1.23 -0.01 0.00 0.00 175.52 175.86 1qk1 h GLY 55 N 0.60 0.00 1.01 2.99 0.00 -0.25 -1.91 103.07 105.50 1qk1 h GLY 55 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.22 1qk1 h GLY 55 CO -0.02 0.00 -0.99 -2.08 0.00 0.00 0.00 176.54 173.45 1qk1 h VAL 56 N 0.00 1.36 0.00 4.60 2.07 -0.56 -3.30 116.25 120.42 1qk1 h VAL 56 Ca -0.01 -2.37 -0.04 0.00 0.82 0.00 0.00 66.70 65.11 1qk1 h VAL 56 Cb 0.99 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 1qk1 h VAL 56 CO 0.07 0.70 -0.18 0.44 0.02 0.00 0.00 177.57 178.62 1qk1 h ASP 57 N 0.05 0.00 -3.91 0.57 5.19 -1.13 -3.39 116.42 113.81 1qk1 h ASP 57 Ca -0.15 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.63 1qk1 h ASP 57 Cb 1.70 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.81 1qk1 h ASP 57 CO 0.19 0.18 -0.69 0.20 -3.12 0.00 0.00 179.24 176.01 1qk1 s ASN 58 N -6.12 4.24 0.45 6.45 0.01 -0.72 -4.95 114.94 114.29 1qk1 s ASN 58 Ca -0.00 -2.60 0.17 0.00 -0.71 0.00 0.00 52.86 49.72 1qk1 s ASN 58 Cb 0.11 -1.43 1.13 0.00 0.41 0.00 0.00 41.25 41.47 1qk1 s ASN 58 CO 0.61 -0.29 1.96 -0.65 -1.51 0.00 0.00 177.10 177.23 1qk1 h PRO 59 N 6.95 0.30 0.00 -0.60 0.11 -1.76 -3.44 132.00 133.55 1qk1 h PRO 59 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1qk1 h PRO 59 Cb 0.94 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1qk1 h PRO 59 CO 0.58 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 1qk1 n GLY 60 N -1.55 0.18 3.86 -0.55 0.00 -1.26 -0.25 105.19 105.62 1qk1 n GLY 60 Ca 0.11 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.20 3.54 0.37 1.61 2.46 -1.25 -4.84 115.29 115.98 1qk1 s HIS 61 Ca 0.00 0.48 0.12 0.00 0.47 0.00 0.00 55.06 56.13 1qk1 s HIS 61 Cb 0.00 -1.91 0.92 0.00 -0.13 0.00 0.00 32.58 31.46 1qk1 s HIS 61 CO 0.00 0.70 1.84 -1.35 -2.47 0.00 0.00 174.74 173.46 1qk1 h PRO 62 N 4.93 0.56 0.00 2.88 0.11 -1.93 -3.30 132.00 135.26 1qk1 h PRO 62 Ca -0.54 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1qk1 h PRO 62 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1qk1 h PRO 62 CO 0.58 0.37 0.00 1.19 -0.21 0.00 0.00 178.00 179.93 1qk1 n PHE 63 N -4.58 0.00 -2.43 0.65 3.01 -1.26 -4.85 117.46 107.99 1qk1 n PHE 63 Ca 0.20 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.26 1qk1 n PHE 63 Cb 0.60 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.03 1qk1 n PHE 63 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1qk1 s ILE 64 N -0.37 3.40 -0.24 4.37 -5.25 -1.24 -5.03 121.20 116.82 1qk1 s ILE 64 Ca 0.00 1.39 -0.06 0.00 -0.99 0.00 0.00 60.65 60.99 1qk1 s ILE 64 Cb 0.00 -3.88 -0.02 0.00 2.95 0.00 0.00 42.46 41.51 1qk1 s ILE 64 CO 0.00 0.32 0.03 -0.75 -1.79 0.00 0.00 174.94 172.75 1qk1 s LYS 65 N -1.54 3.50 0.54 0.37 2.20 -1.26 -3.94 119.74 119.61 1qk1 s LYS 65 Ca 0.46 -0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 55.46 1qk1 s LYS 65 Cb -0.32 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1qk1 s LYS 65 CO 0.42 -0.22 0.83 0.95 -0.36 0.00 0.00 175.35 176.97 1qk1 s THR 66 N 1.56 3.85 -0.01 3.43 -4.23 -1.26 -4.88 115.64 114.09 1qk1 s THR 66 Ca 0.06 -0.11 -0.25 0.00 -1.18 0.00 0.00 61.69 60.20 1qk1 s THR 66 Cb -0.15 -3.49 -0.20 0.00 1.34 0.00 0.00 72.50 70.00 1qk1 s THR 66 CO 0.01 -0.46 1.28 0.58 -0.54 0.00 0.00 174.62 175.49 1qk1 h VAL 67 N 0.01 1.38 0.00 2.29 2.07 -1.94 -1.05 116.25 119.01 1qk1 h VAL 67 Ca -0.46 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1qk1 h VAL 67 Cb 1.25 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1qk1 h VAL 67 CO 0.60 0.30 0.00 0.61 0.02 0.00 0.00 177.57 179.10 1qk1 n GLY 68 N 0.21 0.56 3.54 2.17 0.00 -1.26 -1.34 105.19 109.07 1qk1 n GLY 68 Ca -0.08 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.93 0.85 0.24 1.61 0.23 -1.26 -2.01 119.30 118.02 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 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.65 1qk1 s MET 69 CO 0.00 -0.27 -0.03 0.14 -2.03 0.00 0.00 175.02 172.82 1qk1 s VAL 70 N -1.32 1.25 -0.04 5.16 -7.23 -0.76 -4.51 120.40 112.95 1qk1 s VAL 70 Ca -0.06 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 58.01 1qk1 s VAL 70 Cb -0.00 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1qk1 s VAL 70 CO 0.05 -0.36 0.15 0.00 -0.31 0.00 0.00 175.10 174.63 1qk1 s ALA 71 N -3.27 3.87 -0.12 1.32 0.00 -0.55 -4.53 121.76 118.47 1qk1 s ALA 71 Ca 0.28 -0.74 0.21 0.00 0.00 0.00 0.00 51.96 51.70 1qk1 s ALA 71 Cb 0.05 -1.86 -0.21 0.00 0.00 0.00 0.00 23.12 21.10 1qk1 s ALA 71 CO 0.09 0.70 0.62 0.41 0.00 0.00 0.00 175.76 177.58 1qk1 n GLY 72 N 1.32 -1.15 3.84 0.00 0.00 -1.26 -4.60 105.19 103.35 1qk1 n GLY 72 Ca -0.14 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.07 -0.03 0.25 1.61 1.47 -1.26 -0.90 116.67 112.74 1qk1 s ASP 73 Ca -0.06 -0.75 -0.06 0.00 1.18 0.00 0.00 52.55 52.87 1qk1 s ASP 73 Cb 0.11 0.59 0.27 0.00 -0.34 0.00 0.00 42.92 43.55 1qk1 s ASP 73 CO 0.85 -1.16 1.88 -0.08 0.68 0.00 0.00 175.17 177.34 1qk1 h GLU 74 N 2.00 1.21 0.00 2.11 4.81 -1.96 -2.65 114.58 120.10 1qk1 h GLU 74 Ca -0.28 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1qk1 h GLU 74 Cb 1.23 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1qk1 h GLU 74 CO 0.35 0.88 -0.10 0.93 -0.73 0.00 0.00 179.01 180.34 1qk1 h GLU 75 N 1.22 0.00 -0.63 1.92 3.07 -2.00 -3.19 114.58 114.97 1qk1 h GLU 75 Ca 0.31 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.30 1qk1 h GLU 75 Cb 0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.82 1qk1 h GLU 75 CO -0.05 0.10 0.05 1.15 -1.40 0.00 0.00 179.01 178.86 1qk1 h THR 76 N 0.00 0.52 0.00 1.13 2.02 -1.88 -0.10 112.91 114.61 1qk1 h THR 76 Ca -0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1qk1 h THR 76 Cb 0.38 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1qk1 h THR 76 CO 0.01 0.03 -0.01 1.88 0.37 0.00 0.00 175.52 177.80 1qk1 h TYR 77 N 0.16 0.00 0.00 3.16 0.05 -1.74 -1.25 116.97 117.36 1qk1 h TYR 77 Ca 0.33 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.88 1qk1 h TYR 77 Cb 0.54 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 1qk1 h TYR 77 CO -0.33 0.01 -1.44 -1.91 -1.05 0.00 0.00 178.16 173.44 1qk1 n GLU 78 N -3.30 0.55 -0.32 4.88 2.13 -0.19 -3.31 120.64 121.08 1qk1 n GLU 78 Ca -0.03 0.45 0.04 0.00 0.66 0.00 0.00 57.16 58.29 1qk1 n GLU 78 Cb 0.11 -1.64 0.18 0.00 0.27 0.00 0.00 31.44 30.36 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 0.95 -0.59 6.31 2.07 -1.13 -2.36 116.25 120.50 1qk1 h VAL 79 Ca -0.35 -0.31 -0.26 0.00 0.82 0.00 0.00 66.70 66.60 1qk1 h VAL 79 Cb 1.22 -0.04 -0.16 0.00 -1.52 0.00 0.00 31.29 30.79 1qk1 h VAL 79 CO -0.21 0.17 0.20 0.49 0.02 0.00 0.00 177.57 178.23 1qk1 n PHE 80 N -4.67 1.86 -0.28 1.57 3.72 -0.48 -4.72 117.46 114.48 1qk1 n PHE 80 Ca 0.15 -1.52 0.19 0.00 -0.05 0.00 0.00 57.45 56.22 1qk1 n PHE 80 Cb 0.27 -0.63 0.48 0.00 -0.94 0.00 0.00 39.48 38.66 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 1.38 2.14 0.00 4.37 0.00 -1.41 -1.47 119.26 124.27 1qk1 h ALA 81 Ca 0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1qk1 h ALA 81 Cb 2.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1qk1 h ALA 81 CO 0.63 -0.46 0.06 -0.44 0.00 0.00 0.00 179.25 179.04 1qk1 h ASP 82 N 0.46 0.00 0.00 0.00 3.32 -1.85 0.02 116.42 118.36 1qk1 h ASP 82 Ca 0.51 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.24 1qk1 h ASP 82 Cb 1.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 1qk1 h ASP 82 CO -0.23 0.00 -2.11 -0.11 -1.72 0.00 0.00 179.24 175.08 1qk1 n LEU 83 N -3.02 2.07 -0.16 1.55 0.00 -0.62 -4.59 117.00 112.23 1qk1 n LEU 83 Ca -0.03 0.10 -0.07 0.00 0.00 0.00 0.00 56.01 56.01 1qk1 n LEU 83 Cb 0.13 -0.62 0.01 0.00 0.00 0.00 0.00 43.42 42.94 1qk1 n LEU 83 CO 0.19 0.59 1.06 -0.26 0.00 0.00 0.00 177.39 178.96 1qk1 h PHE 84 N -0.42 0.62 -0.08 1.96 0.04 -1.20 -2.99 116.94 114.88 1qk1 h PHE 84 Ca -0.47 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.33 1qk1 h PHE 84 Cb 1.53 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 39.44 1qk1 h PHE 84 CO -0.03 0.42 -0.13 -0.44 -0.60 0.00 0.00 178.31 177.52 1qk1 h ASP 85 N 0.65 -0.41 -0.91 2.17 3.32 -1.25 0.35 116.42 120.34 1qk1 h ASP 85 Ca 0.17 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.35 1qk1 h ASP 85 Cb -0.04 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 1qk1 h ASP 85 CO -0.03 -0.18 0.60 -0.65 -1.72 0.00 0.00 179.24 177.25 1qk1 h PRO 86 N -0.18 1.06 -0.17 3.56 0.11 -1.77 0.66 132.00 135.27 1qk1 h PRO 86 Ca 0.08 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1qk1 h PRO 86 Cb 0.29 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1qk1 h PRO 86 CO -0.19 0.70 -0.06 0.28 -0.21 0.00 0.00 178.00 178.52 1qk1 h VAL 87 N 1.10 1.30 -0.68 3.15 2.07 -1.24 -1.92 116.25 120.03 1qk1 h VAL 87 Ca 0.38 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1qk1 h VAL 87 Cb 0.10 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1qk1 h VAL 87 CO -0.13 0.32 0.42 0.40 0.02 0.00 0.00 177.57 178.61 1qk1 h ILE 88 N 0.03 1.10 -0.84 4.57 2.04 0.20 -0.88 117.51 123.73 1qk1 h ILE 88 Ca 0.04 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1qk1 h ILE 88 Cb 0.52 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1qk1 h ILE 88 CO 0.02 0.15 0.41 -0.61 0.00 0.00 0.00 178.15 178.13 1qk1 h GLN 89 N 0.84 1.21 -0.21 2.37 4.15 -0.77 -0.97 115.11 121.74 1qk1 h GLN 89 Ca 0.27 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 1qk1 h GLN 89 Cb 0.01 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 1qk1 h GLN 89 CO -0.10 0.92 -0.26 1.49 -1.93 0.00 0.00 178.83 178.95 1qk1 h GLU 90 N 1.20 0.54 -0.33 1.69 4.81 -0.93 -1.69 114.58 119.87 1qk1 h GLU 90 Ca 0.29 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1qk1 h GLU 90 Cb 0.10 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1qk1 h GLU 90 CO -0.04 0.90 -0.05 -0.09 -0.73 0.00 0.00 179.01 179.01 1qk1 h ARG 91 N 0.21 0.54 -0.89 1.92 9.65 -0.98 -2.82 114.38 122.01 1qk1 h ARG 91 Ca 0.03 -0.13 -0.62 0.00 -1.10 0.00 0.00 59.98 58.15 1qk1 h ARG 91 Cb 0.83 -0.07 -0.35 0.00 -1.39 0.00 0.00 29.97 28.99 1qk1 h ARG 91 CO 0.06 0.60 0.13 0.72 2.80 0.00 0.00 179.97 184.28 1qk1 n HIS 92 N -4.25 3.01 -0.50 2.20 8.25 -0.38 -4.99 115.22 118.56 1qk1 n HIS 92 Ca 0.01 -2.67 0.00 0.00 -0.26 0.00 0.00 57.72 54.80 1qk1 n HIS 92 Cb 0.28 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.42 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 -0.83 0.00 0.00 0.41 6.94 -1.07 -2.45 115.26 118.26 1qk1 n ASN 93 Ca 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.11 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 0.25 3.09 3.69 4.83 0.00 -0.65 -5.05 105.19 111.36 1qk1 n GLY 94 Ca 0.00 -0.97 -0.54 0.00 0.00 0.00 0.00 46.02 44.51 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 2.14 -3.65 1.61 9.36 -1.03 -4.91 117.16 120.68 1qk1 n TYR 95 Ca 0.00 0.33 -0.39 0.00 3.32 0.00 0.00 57.90 61.16 1qk1 n TYR 95 Cb 0.00 -2.54 -0.10 0.00 -0.63 0.00 0.00 39.34 36.07 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 3.94 5.52 0.00 2.98 2.15 -1.26 -3.77 116.67 126.23 1qk1 s ASP 96 Ca 0.97 -1.60 0.04 0.00 0.43 0.00 0.00 52.55 52.39 1qk1 s ASP 96 Cb -0.93 -1.94 0.19 0.00 -0.30 0.00 0.00 42.92 39.94 1qk1 s ASP 96 CO 0.60 -0.53 1.10 -0.81 -0.17 0.00 0.00 175.17 175.37 1qk1 n PRO 97 N 4.84 0.01 0.13 4.34 -0.04 -1.26 -0.87 135.00 142.16 1qk1 n PRO 97 Ca -0.09 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 1qk1 n PRO 97 Cb 0.43 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.07 0.00 0.25 -1.07 0.00 0.00 179.97 179.22 1qk1 n THR 99 N -2.86 0.00 -4.03 2.04 -2.24 -0.87 -5.10 114.28 101.21 1qk1 n THR 99 Ca 0.00 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.35 1qk1 n THR 99 Cb 0.59 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.38 2.42 0.07 -0.78 -1.94 -0.05 -5.07 119.30 113.57 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 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.60 1qk1 s MET 100 CO 0.00 0.07 -0.16 0.15 -0.01 0.00 0.00 175.02 175.07 1qk1 s LYS 101 N -3.89 0.95 -0.12 2.03 1.02 -1.26 -4.65 119.74 113.81 1qk1 s LYS 101 Ca 0.39 -0.94 -0.05 0.00 0.02 0.00 0.00 55.97 55.39 1qk1 s LYS 101 Cb -0.02 -1.02 -0.04 0.00 -0.52 0.00 0.00 37.83 36.23 1qk1 s LYS 101 CO 0.23 0.24 0.05 -1.58 -0.92 0.00 0.00 175.35 173.37 1qk1 s HIS 102 N -1.10 3.29 -0.10 3.18 5.65 0.06 -4.87 115.29 121.39 1qk1 s HIS 102 Ca 0.01 0.22 0.02 0.00 0.25 0.00 0.00 55.06 55.56 1qk1 s HIS 102 Cb -0.09 -1.91 -0.01 0.00 -1.18 0.00 0.00 32.58 29.38 1qk1 s HIS 102 CO 0.02 0.42 -0.17 -0.08 -0.65 0.00 0.00 174.74 174.29 1qk1 s THR 103 N -0.51 2.72 -0.02 0.89 -1.32 -1.26 -4.79 115.64 111.34 1qk1 s THR 103 Ca 0.10 -0.80 -0.13 0.00 -1.21 0.00 0.00 61.69 59.65 1qk1 s THR 103 Cb -0.12 -2.09 -0.05 0.00 -1.51 0.00 0.00 72.50 68.72 1qk1 s THR 103 CO 0.02 0.55 0.35 -0.89 -2.21 0.00 0.00 174.62 172.44 1qk1 s THR 104 N 0.09 5.14 -0.26 5.08 2.01 -1.26 -3.82 115.64 122.62 1qk1 s THR 104 Ca -0.08 0.69 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 1qk1 s THR 104 Cb -0.15 -3.64 0.14 0.00 0.01 0.00 0.00 72.50 68.86 1qk1 s THR 104 CO 0.05 0.58 0.38 -0.62 -0.69 0.00 0.00 174.62 174.32 1qk1 s ASP 105 N -1.09 0.48 -0.41 3.53 -1.08 -1.26 -4.97 116.67 111.87 1qk1 s ASP 105 Ca 0.22 -0.10 0.05 0.00 -0.52 0.00 0.00 52.55 52.20 1qk1 s ASP 105 Cb -0.16 1.03 0.48 0.00 -1.46 0.00 0.00 42.92 42.81 1qk1 s ASP 105 CO 0.11 -0.33 1.55 0.18 0.52 0.00 0.00 175.17 177.20 1qk1 n LEU 106 N 5.35 5.56 -4.40 -1.34 4.77 -1.26 -3.02 117.00 122.66 1qk1 n LEU 106 Ca -0.02 -4.29 -0.45 0.00 -0.03 0.00 0.00 56.01 51.22 1qk1 n LEU 106 Cb 0.49 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1qk1 n LEU 106 CO 0.03 1.63 0.77 -0.62 -1.33 0.00 0.00 177.39 177.87 1qk1 s ASP 107 N -2.68 6.74 0.65 -1.43 2.15 -1.26 -4.85 116.67 115.99 1qk1 s ASP 107 Ca 0.53 -2.43 0.38 0.00 0.43 0.00 0.00 52.55 51.47 1qk1 s ASP 107 Cb 0.44 -2.31 2.10 0.00 -0.30 0.00 0.00 42.92 42.85 1qk1 s ASP 107 CO 0.01 -0.81 2.23 0.00 -0.17 0.00 0.00 175.17 176.43 1qk1 h ALA 108 N 8.22 1.23 0.00 3.66 0.00 -1.91 -2.24 119.26 128.22 1qk1 h ALA 108 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1qk1 h ALA 108 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1qk1 h ALA 108 CO 0.96 -0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.97 1qk1 n SER 109 N -3.21 0.50 -0.12 0.00 3.41 -1.26 -1.62 113.62 111.33 1qk1 n SER 109 Ca -0.02 0.65 0.15 0.00 -0.26 0.00 0.00 58.87 59.39 1qk1 n SER 109 Cb 0.18 -0.75 0.78 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.09 1.00 -2.66 4.33 5.02 -0.84 -4.82 118.16 118.10 1qk1 n LYS 110 Ca 0.01 -0.24 -0.43 0.00 -2.02 0.00 0.00 58.31 55.64 1qk1 n LYS 110 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.16 4.72 -0.13 -0.18 -1.09 -0.64 -5.02 121.20 116.71 1qk1 s ILE 111 Ca 0.40 2.01 -0.02 0.00 -2.23 0.00 0.00 60.65 60.81 1qk1 s ILE 111 Cb 0.21 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1qk1 s ILE 111 CO 0.39 -0.04 -0.05 0.00 -1.23 0.00 0.00 174.94 174.01 1qk1 s ARG 112 N 2.33 3.41 2.64 2.79 1.70 -1.26 -4.96 118.95 125.60 1qk1 s ARG 112 Ca 0.48 -0.54 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 1qk1 s ARG 112 Cb -0.18 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.40 1qk1 s ARG 112 CO 0.15 0.36 0.00 0.45 -1.08 0.00 0.00 175.30 175.18 1qk1 n SER 113 N 3.17 -0.07 0.00 -2.89 2.88 -1.26 -5.00 113.62 110.46 1qk1 n SER 113 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1qk1 n SER 113 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 1.40 2.93 0.46 0.00 -1.26 -4.76 105.19 103.96 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 2.97 0.53 1.61 6.14 -1.26 -1.53 117.35 123.81 1qk1 s TYR 115 Ca 0.00 -2.45 -0.17 0.00 0.64 0.00 0.00 57.07 55.09 1qk1 s TYR 115 Cb 0.00 -2.36 -0.07 0.00 0.42 0.00 0.00 41.96 39.95 1qk1 s TYR 115 CO 0.00 -0.90 1.01 -0.06 0.64 0.00 0.00 175.55 176.24 1qk1 s PHE 116 N 1.18 3.24 -0.26 4.97 0.08 0.59 -4.97 117.98 122.82 1qk1 s PHE 116 Ca 0.08 1.50 -0.28 0.00 0.12 0.00 0.00 56.93 58.34 1qk1 s PHE 116 Cb -0.19 -2.89 -0.03 0.00 -0.57 0.00 0.00 43.02 39.34 1qk1 s PHE 116 CO -0.13 -0.64 1.91 0.34 -0.10 0.00 0.00 175.22 176.60 1qk1 s ASP 117 N -2.82 5.86 0.00 1.36 -1.08 -1.26 -4.54 116.67 114.19 1qk1 s ASP 117 Ca 0.61 1.60 0.08 0.00 -0.52 0.00 0.00 52.55 54.33 1qk1 s ASP 117 Cb -0.12 -2.52 0.47 0.00 -1.46 0.00 0.00 42.92 39.28 1qk1 s ASP 117 CO 0.31 -1.69 0.91 -0.62 0.52 0.00 0.00 175.17 174.60 1qk1 n GLU 118 N 8.38 0.46 -0.02 4.34 1.02 -1.26 -1.98 120.64 131.58 1qk1 n GLU 118 Ca 0.24 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1qk1 n GLU 118 Cb 0.46 -1.27 0.32 0.00 -0.02 0.00 0.00 31.44 30.93 1qk1 n GLU 118 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1qk1 n ARG 119 N -0.77 1.99 0.00 3.49 0.00 -1.26 -4.30 116.66 115.81 1qk1 n ARG 119 Ca 0.06 -1.45 0.00 0.00 -0.00 0.00 0.00 57.85 56.46 1qk1 n ARG 119 Cb 0.03 -1.47 0.00 0.00 -0.00 0.00 0.00 32.46 31.02 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 0.74 0.00 -3.32 2.89 4.01 -0.84 -4.89 117.16 115.76 1qk1 n TYR 120 Ca 0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.49 1qk1 n TYR 120 Cb 0.47 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.88 5.09 0.04 -0.72 1.01 -0.99 0.77 120.40 123.71 1qk1 s VAL 121 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 1qk1 s VAL 121 Cb 0.00 -3.94 -0.34 0.00 0.00 0.00 0.00 36.38 32.10 1qk1 s VAL 121 CO 0.00 -0.25 1.04 -0.07 0.00 0.00 0.00 175.10 175.82 1qk1 h LEU 122 N 8.98 0.76 -7.26 3.92 3.38 -0.73 -3.39 115.31 120.96 1qk1 h LEU 122 Ca -0.28 -0.81 -0.05 0.00 0.09 0.00 0.00 57.88 56.83 1qk1 h LEU 122 Cb 1.13 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 1qk1 h LEU 122 CO 0.75 1.63 0.01 -0.94 0.09 0.00 0.00 178.44 179.98 1qk1 s SER 123 N -7.49 -0.36 -0.02 -0.43 1.04 -1.17 0.26 113.70 105.52 1qk1 s SER 123 Ca -0.08 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1qk1 s SER 123 Cb 0.05 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1qk1 s SER 123 CO 0.93 -0.81 -0.14 -0.44 0.98 0.00 0.00 173.24 173.77 1qk1 s SER 124 N -2.42 1.72 -0.01 7.02 0.01 -0.39 -1.59 113.70 118.03 1qk1 s SER 124 Ca -0.01 -0.27 -0.18 0.00 1.31 0.00 0.00 55.95 56.80 1qk1 s SER 124 Cb 0.00 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1qk1 s SER 124 CO -0.08 0.16 0.39 0.00 0.41 0.00 0.00 173.24 174.12 1qk1 s ARG 125 N -0.19 0.77 -0.07 12.44 1.70 -0.39 -1.90 118.95 131.32 1qk1 s ARG 125 Ca 0.03 -0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.17 1qk1 s ARG 125 Cb -0.07 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1qk1 s ARG 125 CO 0.00 -0.22 -0.10 0.08 -1.08 0.00 0.00 175.30 173.97 1qk1 s VAL 126 N -1.44 1.02 0.09 4.99 1.01 -0.11 -0.85 120.40 125.10 1qk1 s VAL 126 Ca -0.12 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1qk1 s VAL 126 Cb -0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1qk1 s VAL 126 CO 0.05 0.33 -0.16 -0.60 0.00 0.00 0.00 175.10 174.71 1qk1 s ARG 127 N 0.81 0.94 0.38 2.72 3.52 -0.45 -1.20 118.95 125.68 1qk1 s ARG 127 Ca -0.12 -1.06 -0.12 0.00 -0.13 0.00 0.00 55.73 54.30 1qk1 s ARG 127 Cb -0.15 -1.03 0.05 0.00 -1.56 0.00 0.00 34.95 32.25 1qk1 s ARG 127 CO 0.02 0.23 0.73 -0.08 -0.81 0.00 0.00 175.30 175.39 1qk1 s THR 128 N -1.32 0.00 0.07 4.11 -1.32 -0.45 -1.20 115.64 115.53 1qk1 s THR 128 Ca 0.02 -1.13 0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1qk1 s THR 128 Cb -0.09 -2.88 -0.04 0.00 -1.51 0.00 0.00 72.50 67.98 1qk1 s THR 128 CO 0.03 0.00 -0.05 -0.83 -2.21 0.00 0.00 174.62 171.56 1qk1 s GLY 129 N -3.12 0.61 -0.02 6.08 0.00 -1.26 -0.11 107.32 109.51 1qk1 s GLY 129 Ca 0.19 -1.22 -0.03 0.00 0.00 0.00 0.00 44.72 43.66 1qk1 s GLY 129 CO 0.14 -1.32 0.07 0.50 0.00 0.00 0.00 173.10 172.49 1qk1 s ARG 130 N -3.58 0.21 -0.05 2.90 1.81 -0.82 -4.94 118.95 114.49 1qk1 s ARG 130 Ca 0.07 -0.12 0.05 0.00 -1.72 0.00 0.00 55.73 54.01 1qk1 s ARG 130 Cb 0.04 0.09 -0.02 0.00 -0.45 0.00 0.00 34.95 34.61 1qk1 s ARG 130 CO -0.06 -0.04 -0.18 -1.12 -0.68 0.00 0.00 175.30 173.22 1qk1 s SER 131 N -0.51 3.69 -0.26 0.23 0.01 -1.26 -2.48 113.70 113.12 1qk1 s SER 131 Ca -0.06 -0.30 -0.24 0.00 1.31 0.00 0.00 55.95 56.66 1qk1 s SER 131 Cb -0.04 -0.75 -0.00 0.00 0.21 0.00 0.00 66.02 65.44 1qk1 s SER 131 CO 0.00 0.32 0.80 -0.63 0.41 0.00 0.00 173.24 174.14 1qk1 s ILE 132 N -0.60 4.84 0.37 1.44 -1.09 -1.26 -0.28 121.20 124.61 1qk1 s ILE 132 Ca 0.09 1.41 -0.28 0.00 -2.23 0.00 0.00 60.65 59.63 1qk1 s ILE 132 Cb -0.11 -4.11 -0.11 0.00 -1.58 0.00 0.00 42.46 36.55 1qk1 s ILE 132 CO 0.01 -0.12 1.50 -1.14 -1.23 0.00 0.00 174.94 173.96 1qk1 n ARG 133 N 6.05 2.69 -0.07 2.79 0.63 -0.09 -2.93 116.66 125.72 1qk1 n ARG 133 Ca 0.04 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 1qk1 n ARG 133 Cb 0.48 -2.68 0.00 0.00 0.45 0.00 0.00 32.46 30.71 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 0.65 0.66 3.29 5.14 0.00 -1.26 -4.73 105.19 108.94 1qk1 n GLY 134 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 2.09 0.69 0.99 1.43 -1.15 -5.13 118.68 117.60 1qk1 s LEU 135 Ca 0.00 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 1qk1 s LEU 135 Cb 0.00 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1qk1 s LEU 135 CO 0.00 0.27 1.14 -0.44 0.23 0.00 0.00 176.35 177.55 1qk1 s SER 136 N -0.79 4.74 0.80 2.29 0.01 -1.26 -4.81 113.70 114.68 1qk1 s SER 136 Ca 0.10 2.11 -0.12 0.00 1.31 0.00 0.00 55.95 59.35 1qk1 s SER 136 Cb -0.09 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.65 1qk1 s SER 136 CO 0.00 -1.89 1.11 -0.76 0.41 0.00 0.00 173.24 172.12 1qk1 s LEU 137 N -5.04 2.53 0.45 2.44 1.43 -0.08 -4.42 118.68 115.99 1qk1 s LEU 137 Ca 0.69 1.16 0.30 0.00 -1.03 0.00 0.00 54.13 55.25 1qk1 s LEU 137 Cb -0.23 -3.74 1.39 0.00 0.03 0.00 0.00 46.19 43.64 1qk1 s LEU 137 CO 0.43 -1.96 1.68 -0.65 0.23 0.00 0.00 176.35 176.09 1qk1 h PRO 138 N -1.08 0.14 0.00 1.29 0.11 -1.88 -0.50 132.00 130.07 1qk1 h PRO 138 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1qk1 h PRO 138 Cb 1.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1qk1 h PRO 138 CO 0.61 0.09 -0.36 -1.35 -0.21 0.00 0.00 178.00 176.78 1qk1 h PRO 139 N 0.14 0.00 0.00 1.05 0.11 -1.81 -3.37 132.00 128.12 1qk1 h PRO 139 Ca 0.74 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.85 1qk1 h PRO 139 Cb 2.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.49 1qk1 h PRO 139 CO -0.30 0.36 -0.61 0.00 -0.21 0.00 0.00 178.00 177.25 1qk1 n ALA 140 N -2.35 2.05 -1.75 -0.75 0.00 -0.49 -4.72 120.51 112.49 1qk1 n ALA 140 Ca -0.01 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1qk1 n ALA 140 Cb 0.45 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.25 2.22 0.26 0.00 -4.23 -1.26 -4.86 115.64 106.53 1qk1 s THR 142 Ca 0.67 -0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.80 1qk1 s THR 142 Cb -0.43 -2.88 0.24 0.00 1.34 0.00 0.00 72.50 70.77 1qk1 s THR 142 CO 0.52 0.00 1.91 0.03 -0.54 0.00 0.00 174.62 176.55 1qk1 h ARG 143 N -0.72 1.20 -0.67 3.99 3.08 -1.99 -1.24 114.38 118.03 1qk1 h ARG 143 Ca -0.42 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 1qk1 h ARG 143 Cb 1.29 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 1qk1 h ARG 143 CO 0.50 0.83 0.09 0.00 -1.07 0.00 0.00 179.97 180.33 1qk1 h ALA 144 N 1.37 0.89 -0.54 0.04 0.00 -1.99 -1.20 119.26 117.84 1qk1 h ALA 144 Ca 0.32 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1qk1 h ALA 144 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1qk1 h ALA 144 CO -0.06 0.67 0.08 0.93 0.00 0.00 0.00 179.25 180.87 1qk1 h GLU 145 N 1.04 0.90 -0.68 0.00 5.08 -1.81 -0.96 114.58 118.15 1qk1 h GLU 145 Ca 0.20 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1qk1 h GLU 145 Cb 0.47 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1qk1 h GLU 145 CO 0.02 0.88 0.22 -0.09 -1.00 0.00 0.00 179.01 179.04 1qk1 h ARG 146 N 0.79 1.06 -0.20 2.33 2.43 -1.02 -2.14 114.38 117.63 1qk1 h ARG 146 Ca 0.16 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1qk1 h ARG 146 Cb 0.43 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1qk1 h ARG 146 CO 0.01 0.91 -0.18 0.00 -1.51 0.00 0.00 179.97 179.20 1qk1 h ARG 147 N 1.00 0.34 -0.63 0.20 3.08 -1.00 -2.41 114.38 114.96 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 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1qk1 h ARG 147 CO -0.01 0.52 0.05 1.49 -1.07 0.00 0.00 179.97 180.95 1qk1 h GLU 148 N 0.31 1.06 -0.43 0.04 4.57 -0.59 -1.55 114.58 118.00 1qk1 h GLU 148 Ca 0.06 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 1qk1 h GLU 148 Cb 0.51 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1qk1 h GLU 148 CO 0.03 1.01 0.19 0.28 -1.18 0.00 0.00 179.01 179.34 1qk1 h VAL 149 N 0.98 1.19 -0.24 0.32 2.07 -1.05 -1.91 116.25 117.61 1qk1 h VAL 149 Ca 0.19 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1qk1 h VAL 149 Cb 0.49 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1qk1 h VAL 149 CO 0.02 0.21 0.15 -0.08 0.02 0.00 0.00 177.57 177.89 1qk1 h GLU 150 N 0.56 0.30 -0.81 1.57 4.81 -1.10 -1.62 114.58 118.29 1qk1 h GLU 150 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1qk1 h GLU 150 Cb 0.15 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1qk1 h GLU 150 CO -0.02 0.20 0.51 0.00 -0.73 0.00 0.00 179.01 178.97 1qk1 h ARG 151 N 0.30 1.09 -0.08 1.92 3.08 -1.21 0.11 114.38 119.59 1qk1 h ARG 151 Ca 0.09 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1qk1 h ARG 151 Cb -0.02 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 1qk1 h ARG 151 CO -0.03 0.75 0.03 0.28 -1.07 0.00 0.00 179.97 179.93 1qk1 h VAL 152 N 1.11 1.16 -0.14 2.04 2.07 -1.15 -2.19 116.25 119.14 1qk1 h VAL 152 Ca 0.29 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1qk1 h VAL 152 Cb -0.07 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1qk1 h VAL 152 CO -0.06 0.14 -0.03 0.58 0.02 0.00 0.00 177.57 178.21 1qk1 h VAL 153 N -0.05 1.29 -0.15 2.57 2.07 -1.08 -2.36 116.25 118.54 1qk1 h VAL 153 Ca 0.03 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1qk1 h VAL 153 Cb 0.19 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1qk1 h VAL 153 CO -0.00 0.29 0.07 0.58 0.02 0.00 0.00 177.57 178.52 1qk1 h VAL 154 N -0.03 1.06 -0.26 2.57 2.07 -0.83 0.55 116.25 121.38 1qk1 h VAL 154 Ca 0.04 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 1qk1 h VAL 154 Cb 0.46 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1qk1 h VAL 154 CO 0.01 0.07 -0.15 0.44 0.02 0.00 0.00 177.57 177.97 1qk1 h ASP 155 N 0.21 0.58 0.20 0.57 5.19 -1.22 -2.53 116.42 119.41 1qk1 h ASP 155 Ca 0.05 -0.42 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1qk1 h ASP 155 Cb 0.04 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1qk1 h ASP 155 CO -0.01 0.87 -0.10 0.00 -3.12 0.00 0.00 179.24 176.89 1qk1 h ALA 156 N 0.72 -0.27 -0.63 3.45 0.00 -0.75 -2.88 119.26 118.90 1qk1 h ALA 156 Ca 0.05 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1qk1 h ALA 156 Cb 0.67 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1qk1 h ALA 156 CO 0.04 -0.61 0.42 -0.07 0.00 0.00 0.00 179.25 179.03 1qk1 h LEU 157 N -0.34 0.43 0.00 0.00 3.38 -0.94 0.13 115.31 117.97 1qk1 h LEU 157 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qk1 h LEU 157 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1qk1 h LEU 157 CO 0.04 0.26 0.00 -1.54 0.09 0.00 0.00 178.44 177.30 1qk1 n SER 158 N -4.48 0.00 -0.36 -0.43 3.41 -0.96 -1.90 113.62 108.91 1qk1 n SER 158 Ca 0.10 0.38 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1qk1 n SER 158 Cb 0.35 -0.44 0.25 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.07 -0.33 3.77 5.00 0.00 0.44 -4.93 105.19 109.21 1qk1 n GLY 159 Ca 0.05 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.46 4.39 0.40 0.99 1.43 -0.80 -5.05 118.68 117.59 1qk1 s LEU 160 Ca 0.23 2.28 0.04 0.00 -1.03 0.00 0.00 54.13 55.65 1qk1 s LEU 160 Cb 0.19 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1qk1 s LEU 160 CO 0.52 -0.35 0.12 -0.54 0.23 0.00 0.00 176.35 176.33 1qk1 s LYS 161 N -1.85 1.90 7.43 1.70 1.02 -1.26 -4.23 119.74 124.45 1qk1 s LYS 161 Ca 0.50 -2.15 0.00 0.00 0.02 0.00 0.00 55.97 54.34 1qk1 s LYS 161 Cb -0.30 -0.66 0.00 0.00 -0.52 0.00 0.00 37.83 36.35 1qk1 s LYS 161 CO 0.39 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1qk1 n GLY 162 N -0.89 2.67 0.00 -3.33 0.00 -1.26 -1.93 105.19 100.45 1qk1 n GLY 162 Ca -0.06 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 5.58 0.01 -0.81 1.61 5.75 -1.26 -2.79 116.55 124.64 1qk1 n ASP 163 Ca 0.00 -0.59 0.12 0.00 -0.01 0.00 0.00 54.79 54.31 1qk1 n ASP 163 Cb 0.00 -0.14 0.06 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.13 2.68 -4.77 -2.12 4.77 -0.81 -4.68 117.00 110.94 1qk1 n LEU 164 Ca 0.19 -0.92 -0.39 0.00 -0.03 0.00 0.00 56.01 54.86 1qk1 n LEU 164 Cb 0.18 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1qk1 n LEU 164 CO 0.21 0.46 0.89 0.00 -1.33 0.00 0.00 177.39 177.61 1qk1 s ALA 165 N -2.16 3.25 0.00 -1.18 0.00 -1.12 -4.59 121.76 115.96 1qk1 s ALA 165 Ca 0.25 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1qk1 s ALA 165 Cb 0.19 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1qk1 s ALA 165 CO 0.39 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1qk1 n GLY 166 N 0.72 3.55 2.99 0.00 0.00 -1.26 -1.01 105.19 110.18 1qk1 n GLY 166 Ca 0.03 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 1.18 0.36 -0.03 1.61 3.52 -0.77 -4.91 118.95 119.91 1qk1 s ARG 167 Ca 0.00 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 1qk1 s ARG 167 Cb 0.00 -0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.20 1qk1 s ARG 167 CO 0.00 0.03 -0.09 -0.47 -0.81 0.00 0.00 175.30 173.95 1qk1 s TYR 168 N -0.93 2.84 -0.08 5.12 5.04 -1.26 -2.44 117.35 125.64 1qk1 s TYR 168 Ca -0.08 -0.05 0.02 0.00 -2.44 0.00 0.00 57.07 54.51 1qk1 s TYR 168 Cb -0.07 -1.64 0.02 0.00 0.35 0.00 0.00 41.96 40.62 1qk1 s TYR 168 CO -0.00 0.31 -0.12 0.71 -1.34 0.00 0.00 175.55 175.11 1qk1 s TYR 169 N -0.87 1.55 -0.13 4.97 1.51 0.95 -4.98 117.35 120.36 1qk1 s TYR 169 Ca 0.14 -0.64 -0.21 0.00 -1.01 0.00 0.00 57.07 55.34 1qk1 s TYR 169 Cb -0.11 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1qk1 s TYR 169 CO 0.04 -0.36 0.63 1.03 -1.11 0.00 0.00 175.55 175.77 1qk1 s ARG 170 N 0.92 4.34 0.48 -0.62 0.52 -1.26 -0.57 118.95 122.76 1qk1 s ARG 170 Ca -0.09 0.69 0.16 0.00 -0.52 0.00 0.00 55.73 55.97 1qk1 s ARG 170 Cb -0.15 -3.49 1.17 0.00 0.52 0.00 0.00 34.95 33.00 1qk1 s ARG 170 CO 0.01 -0.02 2.06 -0.07 0.02 0.00 0.00 175.30 177.29 1qk1 h LEU 171 N 7.27 0.17 -0.79 2.53 3.38 -1.78 -2.14 115.31 123.95 1qk1 h LEU 171 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1qk1 h LEU 171 Cb 1.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1qk1 h LEU 171 CO 0.76 0.11 0.00 0.77 0.09 0.00 0.00 178.44 180.17 1qk1 h SER 172 N 0.19 0.00 0.00 -0.43 4.64 -1.81 -3.24 113.55 112.91 1qk1 h SER 172 Ca 0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1qk1 h SER 172 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1qk1 h SER 172 CO -0.02 0.00 -0.30 -1.84 -0.87 0.00 0.00 176.83 173.79 1qk1 n GLU 173 N -2.66 0.70 -2.43 4.77 0.28 -0.86 -5.05 120.64 115.40 1qk1 n GLU 173 Ca 0.02 -1.95 -0.41 0.00 -0.16 0.00 0.00 57.16 54.66 1qk1 n GLU 173 Cb 0.32 -1.01 -0.04 0.00 1.43 0.00 0.00 31.44 32.15 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 -1.55 4.52 0.62 3.44 1.75 -0.87 -4.93 119.30 122.28 1qk1 s MET 174 Ca 0.20 1.81 -0.08 0.00 -1.25 0.00 0.00 55.69 56.37 1qk1 s MET 174 Cb 0.18 -3.26 0.01 0.00 2.84 0.00 0.00 34.83 34.59 1qk1 s MET 174 CO -0.00 -0.05 0.96 0.95 -0.65 0.00 0.00 175.02 176.23 1qk1 s THR 175 N -0.00 3.65 0.41 10.11 -4.23 -1.26 -4.86 115.64 119.45 1qk1 s THR 175 Ca 0.52 0.18 0.09 0.00 -1.18 0.00 0.00 61.69 61.30 1qk1 s THR 175 Cb -0.31 -3.48 0.21 0.00 1.34 0.00 0.00 72.50 70.26 1qk1 s THR 175 CO 0.35 -0.54 1.99 -0.33 -0.54 0.00 0.00 174.62 175.55 1qk1 h GLU 176 N -0.32 0.34 0.20 3.99 5.08 -1.98 0.80 114.58 122.68 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 1.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1qk1 h GLU 176 CO 0.62 0.34 -0.10 0.00 -1.00 0.00 0.00 179.01 178.87 1qk1 h ALA 177 N 1.71 -0.27 -0.42 3.43 0.00 -1.99 -1.49 119.26 120.22 1qk1 h ALA 177 Ca 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qk1 h ALA 177 Cb 0.18 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1qk1 h ALA 177 CO 0.00 -0.54 0.25 0.93 0.00 0.00 0.00 179.25 179.90 1qk1 h GLU 178 N -0.50 0.57 -0.55 0.00 5.08 -1.86 -1.49 114.58 115.82 1qk1 h GLU 178 Ca -0.03 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1qk1 h GLU 178 Cb 0.38 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1qk1 h GLU 178 CO 0.05 0.42 0.28 0.37 -1.00 0.00 0.00 179.01 179.13 1qk1 h GLN 179 N 0.55 0.53 -0.42 2.33 4.15 -0.81 -1.30 115.11 120.15 1qk1 h GLN 179 Ca 0.15 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1qk1 h GLN 179 Cb -0.00 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1qk1 h GLN 179 CO -0.03 0.35 0.23 0.37 -1.93 0.00 0.00 178.83 177.82 1qk1 h GLN 180 N 0.54 0.59 -0.52 1.69 5.75 -0.95 -2.02 115.11 120.18 1qk1 h GLN 180 Ca 0.25 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.71 1qk1 h GLN 180 Cb 0.15 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 1qk1 h GLN 180 CO -0.17 0.48 0.30 0.37 -2.65 0.00 0.00 178.83 177.16 1qk1 h GLN 181 N 0.54 0.58 -0.15 1.69 5.75 -0.85 -1.89 115.11 120.78 1qk1 h GLN 181 Ca 0.15 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1qk1 h GLN 181 Cb 0.06 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1qk1 h GLN 181 CO -0.02 0.38 -0.09 -0.07 -2.65 0.00 0.00 178.83 176.38 1qk1 h LEU 182 N 0.59 0.22 -0.40 -2.39 3.38 -1.04 -1.75 115.31 113.92 1qk1 h LEU 182 Ca 0.22 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1qk1 h LEU 182 Cb 0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1qk1 h LEU 182 CO -0.11 0.34 -0.47 0.40 0.09 0.00 0.00 178.44 178.69 1qk1 h ILE 183 N 0.22 1.28 -0.43 1.22 2.04 -0.74 0.05 117.51 121.15 1qk1 h ILE 183 Ca 0.05 -1.66 -0.08 0.00 1.00 0.00 0.00 64.86 64.17 1qk1 h ILE 183 Cb 0.31 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1qk1 h ILE 183 CO 0.02 0.54 -0.08 0.44 0.00 0.00 0.00 178.15 179.07 1qk1 h ASP 184 N 0.66 0.73 1.02 1.72 3.32 -0.80 -2.18 116.42 120.90 1qk1 h ASP 184 Ca 0.04 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1qk1 h ASP 184 Cb 1.06 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1qk1 h ASP 184 CO 0.11 0.85 0.00 0.47 -1.72 0.00 0.00 179.24 178.94 1qk1 n ASP 185 N -4.18 0.14 -2.32 6.45 8.00 -0.71 -4.92 116.55 119.02 1qk1 n ASP 185 Ca 0.02 0.52 -0.14 0.00 0.71 0.00 0.00 54.79 55.90 1qk1 n ASP 185 Cb 0.34 -0.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.64 -1.66 0.19 1.24 8.25 -0.82 -4.95 115.22 115.84 1qk1 n HIS 186 Ca 0.06 0.59 0.05 0.00 -0.26 0.00 0.00 57.72 58.17 1qk1 n HIS 186 Cb 0.34 -3.40 -0.08 0.00 1.12 0.00 0.00 29.99 27.97 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 -3.87 0.00 -2.51 4.41 3.72 -0.06 -5.02 117.46 114.13 1qk1 n PHE 187 Ca -0.01 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.07 1qk1 n PHE 187 Cb 0.54 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.88 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 -3.29 3.70 0.04 4.37 2.96 -1.13 -5.02 118.68 120.33 1qk1 s LEU 188 Ca -0.01 1.57 0.01 0.00 -0.22 0.00 0.00 54.13 55.48 1qk1 s LEU 188 Cb 0.07 -4.49 -0.03 0.00 0.50 0.00 0.00 46.19 42.25 1qk1 s LEU 188 CO 0.45 -0.53 -0.05 0.72 -1.32 0.00 0.00 176.35 175.63 1qk1 s PHE 189 N -2.52 0.52 0.26 5.38 -0.12 -1.26 -5.00 117.98 115.24 1qk1 s PHE 189 Ca 0.59 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.78 1qk1 s PHE 189 Cb -0.10 -0.34 -0.00 0.00 -0.63 0.00 0.00 43.02 41.95 1qk1 s PHE 189 CO 0.27 -0.20 0.05 -0.40 -0.05 0.00 0.00 175.22 174.89 1qk1 n ASP 190 N 0.99 1.85 -4.61 1.98 5.68 -1.26 -5.09 116.55 116.09 1qk1 n ASP 190 Ca -0.20 -2.27 -0.50 0.00 -0.50 0.00 0.00 54.79 51.32 1qk1 n ASP 190 Cb 0.57 0.43 -0.05 0.00 -1.14 0.00 0.00 41.12 40.93 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 -0.62 1.44 -1.81 0.11 4.81 -1.26 -4.87 118.16 115.96 1qk1 n LYS 191 Ca -0.07 0.52 -0.41 0.00 -0.87 0.00 0.00 58.31 57.48 1qk1 n LYS 191 Cb 0.36 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1qk1 n LYS 191 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1qk1 s PRO 192 N 0.60 4.06 -0.03 1.64 0.02 -1.26 -4.91 135.00 135.13 1qk1 s PRO 192 Ca 0.83 2.54 0.05 0.00 0.02 0.00 0.00 61.00 64.44 1qk1 s PRO 192 Cb -0.87 -2.93 -0.08 0.00 0.02 0.00 0.00 34.50 30.64 1qk1 s PRO 192 CO 0.44 -0.56 0.08 1.33 -0.33 0.00 0.00 177.00 177.96 1qk1 n VAL 193 N 0.39 0.16 -1.67 3.83 0.24 -1.26 -4.85 118.33 115.16 1qk1 n VAL 193 Ca 0.01 -0.17 -0.48 0.00 -2.04 0.00 0.00 64.34 61.66 1qk1 n VAL 193 Cb 0.40 -0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.55 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 -1.91 3.10 0.22 -1.34 2.88 -1.26 -4.84 113.62 110.46 1qk1 n SER 194 Ca -0.04 1.04 0.15 0.00 -1.33 0.00 0.00 58.87 58.69 1qk1 n SER 194 Cb 0.38 -1.36 0.70 0.00 -0.75 0.00 0.00 64.21 63.17 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 7.39 0.00 0.00 -1.46 0.13 -1.99 -1.09 132.00 134.99 1qk1 h PRO 195 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 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 -0.35 -0.07 -0.23 0.00 0.00 178.00 178.26 1qk1 h LEU 196 N 0.00 0.00 0.08 1.56 3.38 -1.93 -2.22 115.31 116.19 1qk1 h LEU 196 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1qk1 h LEU 196 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1qk1 h LEU 196 CO 0.00 0.35 -1.83 0.18 0.09 0.00 0.00 178.44 177.23 1qk1 n LEU 197 N -4.02 2.42 0.06 1.67 4.32 -0.50 -3.90 117.00 117.06 1qk1 n LEU 197 Ca -0.02 0.26 -0.03 0.00 -0.02 0.00 0.00 56.01 56.20 1qk1 n LEU 197 Cb 0.40 -1.06 0.21 0.00 -1.62 0.00 0.00 43.42 41.35 1qk1 n LEU 197 CO 0.38 0.69 0.68 0.71 -1.22 0.00 0.00 177.39 178.63 1qk1 h THR 198 N -0.25 1.29 0.00 -5.08 1.35 -1.37 -2.06 112.91 106.79 1qk1 h THR 198 Ca -0.42 -1.40 -0.00 0.00 -0.55 0.00 0.00 66.41 64.04 1qk1 h THR 198 Cb 1.82 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 69.78 1qk1 h THR 198 CO -0.01 0.43 -0.01 0.00 -0.25 0.00 0.00 175.52 175.68 1qk1 h ALA 199 N 1.34 1.00 -0.38 6.62 0.00 -1.59 -1.61 119.26 124.64 1qk1 h ALA 199 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qk1 h ALA 199 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qk1 h ALA 199 CO 0.06 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1qk1 n ALA 200 N -2.09 2.44 -1.32 0.00 0.00 -0.81 -4.32 120.51 114.41 1qk1 n ALA 200 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 1qk1 n ALA 200 Cb 0.30 -0.98 -0.04 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 1.16 1.08 0.26 0.00 0.00 -0.60 -4.41 105.19 102.68 1qk1 n GLY 201 Ca 0.14 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.69 1.33 -0.02 1.61 2.00 -0.98 -3.60 117.12 114.78 1qk1 n MET 202 Ca -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 57.70 57.11 1qk1 n MET 202 Cb 0.33 -1.24 0.02 0.00 0.00 0.00 0.00 33.22 32.33 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 -0.20 2.04 -1.76 3.04 0.00 -1.26 -4.91 120.51 117.47 1qk1 n ALA 203 Ca 0.11 -1.20 -0.39 0.00 0.00 0.00 0.00 53.44 51.96 1qk1 n ALA 203 Cb 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.22 3.47 -1.13 0.00 0.52 -1.24 -3.17 118.95 116.19 1qk1 s ARG 204 Ca 0.05 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 1qk1 s ARG 204 Cb 0.04 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.06 1qk1 s ARG 204 CO 0.01 -0.93 0.00 -0.25 0.02 0.00 0.00 175.30 174.16 1qk1 n ASP 205 N -0.59 -5.74 -4.69 0.23 8.00 -1.26 -4.88 116.55 107.62 1qk1 n ASP 205 Ca 0.08 0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.41 1qk1 n ASP 205 Cb 0.44 -4.19 -0.01 0.00 -0.02 0.00 0.00 41.12 37.34 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 -2.19 2.27 -0.79 1.24 -0.00 -1.19 -0.80 117.44 115.97 1qk1 n TRP 206 Ca -0.11 0.50 0.05 0.00 -0.00 0.00 0.00 57.50 57.94 1qk1 n TRP 206 Cb 0.59 -2.44 0.37 0.00 -0.00 0.00 0.00 31.31 29.83 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 4.50 -1.68 5.87 -0.04 -1.26 -5.11 135.00 138.40 1qk1 n PRO 207 Ca 0.07 -2.94 -0.56 0.00 -0.04 0.00 0.00 63.50 60.04 1qk1 n PRO 207 Cb 0.35 -2.21 -0.07 0.00 -0.04 0.00 0.00 33.50 31.52 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 0.48 2.21 -0.56 3.54 -0.08 0.02 -1.83 116.55 120.33 1qk1 n ASP 208 Ca 0.28 1.08 -0.07 0.00 -1.51 0.00 0.00 54.79 54.57 1qk1 n ASP 208 Cb 1.17 -1.16 -0.03 0.00 2.34 0.00 0.00 41.12 43.44 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 4.65 -0.11 -2.85 -1.67 0.00 -1.26 -4.97 120.51 114.30 1qk1 n ALA 209 Ca 0.24 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 1qk1 n ALA 209 Cb 0.15 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.30 3.50 0.32 0.00 1.81 -0.76 -4.66 118.95 116.85 1qk1 s ARG 210 Ca 0.00 -0.28 -0.18 0.00 -1.72 0.00 0.00 55.73 53.55 1qk1 s ARG 210 Cb 0.00 -3.03 0.03 0.00 -0.45 0.00 0.00 34.95 31.50 1qk1 s ARG 210 CO 0.00 0.61 0.72 0.20 -0.68 0.00 0.00 175.30 176.15 1qk1 s GLY 211 N -2.20 0.18 -0.03 -3.53 0.00 -1.02 -2.46 107.32 98.26 1qk1 s GLY 211 Ca 0.33 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.52 1qk1 s GLY 211 CO 0.23 -0.24 -0.11 -0.42 0.00 0.00 0.00 173.10 172.56 1qk1 s ILE 212 N -3.34 0.93 -0.01 0.90 1.01 0.26 -1.05 121.20 119.89 1qk1 s ILE 212 Ca 0.14 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1qk1 s ILE 212 Cb -0.05 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.61 1qk1 s ILE 212 CO 0.09 0.28 -0.07 0.86 0.00 0.00 0.00 174.94 176.10 1qk1 s TRP 213 N 0.08 0.72 0.01 3.97 -0.00 -0.36 -0.04 118.94 123.32 1qk1 s TRP 213 Ca -0.02 -0.15 -0.11 0.00 -0.00 0.00 0.00 56.10 55.83 1qk1 s TRP 213 Cb -0.08 -0.49 0.01 0.00 -0.00 0.00 0.00 33.47 32.91 1qk1 s TRP 213 CO 0.01 -0.04 0.21 -3.38 -0.00 0.00 0.00 176.95 173.75 1qk1 s HIS 214 N -0.02 -0.03 0.80 5.86 -3.43 -1.02 -0.11 115.29 117.33 1qk1 s HIS 214 Ca 0.01 -0.03 -0.11 0.00 -0.80 0.00 0.00 55.06 54.12 1qk1 s HIS 214 Cb -0.05 0.01 0.07 0.00 -1.43 0.00 0.00 32.58 31.18 1qk1 s HIS 214 CO -0.00 -0.37 1.10 0.54 -2.00 0.00 0.00 174.74 174.01 1qk1 s ASN 215 N -1.57 4.45 0.26 7.38 4.22 -0.86 -1.85 114.94 126.97 1qk1 s ASN 215 Ca -0.12 1.31 -0.04 0.00 -2.14 0.00 0.00 52.86 51.88 1qk1 s ASN 215 Cb -0.05 -2.04 0.34 0.00 1.28 0.00 0.00 41.25 40.78 1qk1 s ASN 215 CO 0.01 -2.00 1.91 0.78 -2.04 0.00 0.00 177.10 175.76 1qk1 h ASN 216 N -1.11 1.09 -0.01 3.54 2.35 -1.34 -1.75 115.58 118.35 1qk1 h ASN 216 Ca -0.47 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1qk1 h ASN 216 Cb 1.27 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1qk1 h ASN 216 CO 0.59 0.75 0.00 -1.84 -1.65 0.00 0.00 177.43 175.28 1qk1 n GLU 217 N -4.44 1.02 -3.62 0.81 0.28 -1.26 -4.91 120.64 108.52 1qk1 n GLU 217 Ca 0.13 -0.03 -0.22 0.00 -0.16 0.00 0.00 57.16 56.88 1qk1 n GLU 217 Cb 0.09 -1.24 0.06 0.00 1.43 0.00 0.00 31.44 31.78 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 -0.71 -6.43 0.00 3.44 5.02 -0.66 -4.91 118.16 113.91 1qk1 n LYS 218 Ca 0.12 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1qk1 n LYS 218 Cb 0.06 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.42 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 -3.03 0.67 -3.75 4.39 3.41 -1.26 -4.93 113.62 109.12 1qk1 n SER 219 Ca -0.15 -0.90 -0.23 0.00 -0.26 0.00 0.00 58.87 57.33 1qk1 n SER 219 Cb 0.62 0.13 -0.17 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.13 0.62 -0.04 7.33 5.36 -1.26 -2.00 117.98 127.85 1qk1 s PHE 220 Ca 0.00 -0.19 0.07 0.00 -0.96 0.00 0.00 56.93 55.84 1qk1 s PHE 220 Cb 0.00 -0.78 -0.01 0.00 -0.34 0.00 0.00 43.02 41.88 1qk1 s PHE 220 CO 0.00 -0.35 -0.25 -1.17 -1.46 0.00 0.00 175.22 172.00 1qk1 s LEU 221 N 1.99 2.05 -0.07 6.12 0.20 0.71 -2.02 118.68 127.65 1qk1 s LEU 221 Ca 0.04 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.38 1qk1 s LEU 221 Cb -0.13 -1.32 0.02 0.00 -0.43 0.00 0.00 46.19 44.33 1qk1 s LEU 221 CO -0.05 0.26 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.59 1qk1 s ILE 222 N -0.30 0.69 -0.22 6.68 1.01 0.84 -0.16 121.20 129.73 1qk1 s ILE 222 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 1qk1 s ILE 222 Cb -0.12 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1qk1 s ILE 222 CO 0.02 0.28 0.11 0.26 0.00 0.00 0.00 174.94 175.61 1qk1 s TRP 223 N 1.33 3.25 -0.23 3.97 0.51 -0.24 -1.22 118.94 126.31 1qk1 s TRP 223 Ca -0.04 0.06 -0.09 0.00 -2.12 0.00 0.00 56.10 53.91 1qk1 s TRP 223 Cb -0.14 -2.20 -0.04 0.00 -0.81 0.00 0.00 33.47 30.28 1qk1 s TRP 223 CO -0.03 0.02 0.11 0.08 -0.51 0.00 0.00 176.95 176.62 1qk1 s VAL 224 N 0.93 4.86 -1.51 4.03 1.01 -0.22 -1.56 120.40 127.94 1qk1 s VAL 224 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1qk1 s VAL 224 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1qk1 s VAL 224 CO 0.03 0.36 0.50 0.59 0.00 0.00 0.00 175.10 176.58 1qk1 n ASN 225 N 4.41 -5.89 0.00 3.32 3.02 0.88 -2.44 115.26 118.56 1qk1 n ASN 225 Ca -0.16 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1qk1 n ASN 225 Cb 0.52 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 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 -3.73 0.00 -0.53 3.52 2.13 -1.26 -4.79 120.64 115.98 1qk1 n GLU 226 Ca -0.13 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.79 1qk1 n GLU 226 Cb 0.62 0.00 0.35 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 3.37 -3.77 5.31 0.28 -1.26 -4.92 120.64 119.64 1qk1 n GLU 227 Ca 0.00 -2.77 -0.04 0.00 -0.16 0.00 0.00 57.16 54.19 1qk1 n GLU 227 Cb 0.00 -1.78 -0.01 0.00 1.43 0.00 0.00 31.44 31.07 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 -0.92 -0.19 0.16 -1.84 1.01 -1.26 -4.70 116.67 108.93 1qk1 s ASP 228 Ca 0.50 -0.44 -0.17 0.00 0.71 0.00 0.00 52.55 53.16 1qk1 s ASP 228 Cb 0.30 0.52 0.08 0.00 1.01 0.00 0.00 42.92 44.84 1qk1 s ASP 228 CO 0.28 -0.97 1.71 0.45 0.21 0.00 0.00 175.17 176.84 1qk1 h HIS 229 N 2.00 -0.01 -3.60 4.23 3.86 -1.92 -3.11 115.15 116.61 1qk1 h HIS 229 Ca -0.23 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 58.82 1qk1 h HIS 229 Cb 1.23 0.06 -0.24 0.00 1.06 0.00 0.00 27.41 29.52 1qk1 h HIS 229 CO 0.40 -0.06 -0.60 0.95 0.86 0.00 0.00 177.93 179.48 1qk1 s THR 230 N -6.18 0.04 -0.17 2.45 -4.23 -1.03 -0.08 115.64 106.44 1qk1 s THR 230 Ca -0.13 -0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1qk1 s THR 230 Cb 0.13 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.76 1qk1 s THR 230 CO 0.71 -0.19 -0.18 -0.13 -0.54 0.00 0.00 174.62 174.29 1qk1 s ARG 231 N -0.60 2.71 -0.19 3.99 1.81 -0.60 -1.95 118.95 124.12 1qk1 s ARG 231 Ca -0.07 -0.72 -0.07 0.00 -1.72 0.00 0.00 55.73 53.15 1qk1 s ARG 231 Cb -0.04 -2.38 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 1qk1 s ARG 231 CO 0.00 -0.21 0.04 0.08 -0.68 0.00 0.00 175.30 174.53 1qk1 s VAL 232 N 1.35 4.50 -0.04 3.52 1.01 0.84 -1.07 120.40 130.51 1qk1 s VAL 232 Ca 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1qk1 s VAL 232 Cb -0.13 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1qk1 s VAL 232 CO -0.12 0.44 -0.09 -0.63 0.00 0.00 0.00 175.10 174.70 1qk1 s ILE 233 N 0.67 0.86 -0.15 2.22 1.01 0.77 -1.33 121.20 125.24 1qk1 s ILE 233 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1qk1 s ILE 233 Cb -0.13 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 1qk1 s ILE 233 CO 0.02 0.28 -0.15 -0.55 0.00 0.00 0.00 174.94 174.54 1qk1 s SER 234 N 0.51 3.74 0.07 3.58 0.15 -0.34 -0.21 113.70 121.20 1qk1 s SER 234 Ca -0.09 -0.44 -0.06 0.00 0.70 0.00 0.00 55.95 56.06 1qk1 s SER 234 Cb -0.12 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1qk1 s SER 234 CO 0.02 0.10 0.10 0.00 1.20 0.00 0.00 173.24 174.65 1qk1 s MET 235 N 0.74 0.75 -0.07 5.44 0.23 -0.85 -0.94 119.30 124.61 1qk1 s MET 235 Ca -0.06 -1.06 -0.30 0.00 -1.03 0.00 0.00 55.69 53.23 1qk1 s MET 235 Cb -0.15 0.29 0.09 0.00 -1.53 0.00 0.00 34.83 33.52 1qk1 s MET 235 CO 0.01 -0.20 0.77 -1.21 -2.03 0.00 0.00 175.02 172.35 1qk1 s GLU 236 N -3.88 0.94 0.40 3.16 2.02 -0.80 -4.58 118.70 115.97 1qk1 s GLU 236 Ca 0.06 0.19 -0.21 0.00 0.02 0.00 0.00 54.97 55.03 1qk1 s GLU 236 Cb 0.06 0.44 -0.11 0.00 0.10 0.00 0.00 34.13 34.63 1qk1 s GLU 236 CO -0.11 -0.30 0.92 0.15 0.02 0.00 0.00 175.26 175.94 1qk1 s LYS 237 N -1.30 4.23 0.00 1.61 1.02 -1.26 -1.26 119.74 122.78 1qk1 s LYS 237 Ca -0.08 1.08 0.00 0.00 0.02 0.00 0.00 55.97 56.99 1qk1 s LYS 237 Cb -0.00 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1qk1 s LYS 237 CO 0.07 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1qk1 n GLY 238 N -0.48 -1.49 0.95 -3.33 0.00 0.14 -4.74 105.19 96.24 1qk1 n GLY 238 Ca 0.06 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 44.06 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 3.17 2.65 -0.02 0.00 -1.26 -2.89 105.19 106.84 1qk1 n GLY 239 Ca 0.00 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.40 6.17 -0.34 1.61 4.05 -1.26 -0.30 115.26 124.78 1qk1 n ASN 240 Ca 0.12 -2.99 0.13 0.00 0.45 0.00 0.00 54.58 52.30 1qk1 n ASN 240 Cb 0.88 -1.50 0.33 0.00 1.23 0.00 0.00 39.78 40.73 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 5.38 0.74 -0.43 1.20 1.85 -1.64 -1.45 114.93 120.58 1qk1 h MET 241 Ca 0.58 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.65 1qk1 h MET 241 Cb 0.49 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.32 1qk1 h MET 241 CO 1.67 0.49 0.23 -0.22 -0.40 0.00 0.00 176.91 178.68 1qk1 h LYS 242 N 0.76 0.45 -0.37 0.39 3.64 -1.56 0.33 116.57 120.20 1qk1 h LYS 242 Ca 0.55 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1qk1 h LYS 242 Cb 0.87 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1qk1 h LYS 242 CO -0.34 0.30 -0.22 -0.09 -2.27 0.00 0.00 179.45 176.83 1qk1 h ARG 243 N 0.47 0.74 -0.72 1.90 2.43 -1.56 -1.48 114.38 116.16 1qk1 h ARG 243 Ca 0.18 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1qk1 h ARG 243 Cb 0.06 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1qk1 h ARG 243 CO -0.11 0.89 0.47 0.28 -1.51 0.00 0.00 179.97 180.00 1qk1 h VAL 244 N 0.65 1.19 -0.02 0.20 2.07 -0.80 -1.74 116.25 117.79 1qk1 h VAL 244 Ca 0.09 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 1qk1 h VAL 244 Cb 0.72 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1qk1 h VAL 244 CO 0.06 0.18 -0.64 0.15 0.02 0.00 0.00 177.57 177.33 1qk1 h PHE 245 N 0.97 0.10 -0.42 1.57 3.57 -0.70 -1.95 116.94 120.09 1qk1 h PHE 245 Ca 0.26 -0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 1qk1 h PHE 245 Cb -0.11 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1qk1 h PHE 245 CO -0.02 0.70 -0.33 0.93 -2.23 0.00 0.00 178.31 177.35 1qk1 h GLU 246 N 0.06 0.96 -0.60 1.11 5.08 -0.87 -1.01 114.58 119.30 1qk1 h GLU 246 Ca -0.01 -0.47 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 1qk1 h GLU 246 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1qk1 h GLU 246 CO 0.09 1.14 -0.02 -0.09 -1.00 0.00 0.00 179.01 179.13 1qk1 h ARG 247 N 0.80 1.06 0.18 2.33 2.43 -1.27 -0.35 114.38 119.56 1qk1 h ARG 247 Ca 0.08 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1qk1 h ARG 247 Cb 0.92 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1qk1 h ARG 247 CO 0.09 1.04 -0.19 0.35 -1.51 0.00 0.00 179.97 179.75 1qk1 h PHE 248 N 0.96 -0.49 -0.55 2.20 3.57 -1.11 0.21 116.94 121.74 1qk1 h PHE 248 Ca 0.17 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 1qk1 h PHE 248 Cb 0.57 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1qk1 h PHE 248 CO 0.04 -0.28 0.03 0.00 -2.23 0.00 0.00 178.31 175.87 1qk1 h ARG 250 N 0.85 0.44 -0.76 0.00 2.43 -0.84 -2.39 114.38 114.11 1qk1 h ARG 250 Ca 0.16 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1qk1 h ARG 250 Cb 0.46 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1qk1 h ARG 250 CO 0.02 0.67 0.29 0.78 -1.51 0.00 0.00 179.97 180.22 1qk1 h GLY 251 N 0.17 1.23 1.02 2.80 0.00 -0.90 -2.05 103.07 105.34 1qk1 h GLY 251 Ca 0.06 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 1qk1 h GLY 251 CO 0.02 0.65 0.11 1.41 0.00 0.00 0.00 176.54 178.73 1qk1 h LEU 252 N 1.11 0.90 -0.89 3.11 3.38 -1.32 -0.83 115.31 120.77 1qk1 h LEU 252 Ca 0.25 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1qk1 h LEU 252 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1qk1 h LEU 252 CO -0.02 0.92 -0.20 0.11 0.09 0.00 0.00 178.44 179.35 1qk1 h LYS 253 N 0.85 0.60 -0.32 1.13 1.57 -1.29 -1.02 116.57 118.08 1qk1 h LYS 253 Ca 0.18 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1qk1 h LYS 253 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1qk1 h LYS 253 CO 0.01 0.76 -0.23 1.49 -0.57 0.00 0.00 179.45 180.91 1qk1 h GLU 254 N 0.53 0.72 -0.56 3.15 4.57 -1.19 -1.34 114.58 120.46 1qk1 h GLU 254 Ca 0.08 -0.34 -0.10 0.00 -1.18 0.00 0.00 59.36 57.82 1qk1 h GLU 254 Cb 0.64 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1qk1 h GLU 254 CO 0.04 0.96 -0.03 0.28 -1.18 0.00 0.00 179.01 179.08 1qk1 h VAL 255 N 0.48 1.27 -0.52 0.32 2.07 -0.97 -1.90 116.25 116.99 1qk1 h VAL 255 Ca 0.06 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 1qk1 h VAL 255 Cb 0.78 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1qk1 h VAL 255 CO 0.06 0.42 -0.02 -0.08 0.02 0.00 0.00 177.57 177.97 1qk1 h GLU 256 N 0.90 0.89 -0.29 1.57 4.81 -1.10 -2.11 114.58 119.24 1qk1 h GLU 256 Ca 0.16 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1qk1 h GLU 256 Cb 0.58 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1qk1 h GLU 256 CO 0.03 0.90 0.18 -0.09 -0.73 0.00 0.00 179.01 179.30 1qk1 h ARG 257 N 0.82 0.40 -0.31 1.92 2.43 -0.99 -2.05 114.38 116.60 1qk1 h ARG 257 Ca 0.15 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1qk1 h ARG 257 Cb 0.51 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1qk1 h ARG 257 CO 0.03 0.31 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.70 1qk1 h LEU 258 N 0.37 0.46 0.00 3.80 3.38 -1.10 -2.46 115.31 119.76 1qk1 h LEU 258 Ca 0.10 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1qk1 h LEU 258 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1qk1 h LEU 258 CO -0.02 0.54 -0.77 0.16 0.09 0.00 0.00 178.44 178.45 1qk1 h ILE 259 N 0.47 1.02 0.00 1.22 3.07 -1.21 -3.17 117.51 118.90 1qk1 h ILE 259 Ca 0.10 -2.49 -0.04 0.00 1.55 0.00 0.00 64.86 63.98 1qk1 h ILE 259 Cb 0.35 2.47 -0.01 0.00 -0.27 0.00 0.00 36.82 39.36 1qk1 h ILE 259 CO 0.01 0.58 -0.18 1.56 -1.05 0.00 0.00 178.15 179.07 1qk1 h GLN 260 N 0.00 0.00 -0.00 0.16 4.20 -1.13 -1.07 115.11 117.27 1qk1 h GLN 260 Ca -0.03 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1qk1 h GLN 260 Cb 1.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 1qk1 h GLN 260 CO 0.08 0.18 -0.32 1.49 -0.67 0.00 0.00 178.83 179.59 1qk1 h GLU 261 N 0.00 0.01 -0.71 1.46 4.81 -1.42 -2.11 114.58 116.62 1qk1 h GLU 261 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qk1 h GLU 261 Cb 0.70 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1qk1 h GLU 261 CO 0.02 0.32 0.00 0.54 -0.73 0.00 0.00 179.01 179.17 1qk1 n ARG 262 N -4.16 3.12 -0.36 1.92 5.12 -0.87 -4.95 116.66 116.47 1qk1 n ARG 262 Ca -0.02 -2.77 0.00 0.00 -1.93 0.00 0.00 57.85 53.13 1qk1 n ARG 262 Cb 0.36 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 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 1.48 0.75 3.87 -0.13 0.00 -0.79 -5.08 105.19 105.29 1qk1 n GLY 263 Ca 0.25 0.00 -0.24 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 -2.34 3.28 0.21 1.61 0.52 -0.46 -4.97 118.94 116.78 1qk1 s TRP 264 Ca 0.00 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.12 1qk1 s TRP 264 Cb 0.00 -1.53 -0.05 0.00 -1.15 0.00 0.00 33.47 30.75 1qk1 s TRP 264 CO 0.00 0.50 0.02 -1.21 0.02 0.00 0.00 176.95 176.29 1qk1 s GLU 265 N -3.53 1.24 0.27 4.98 2.02 -1.26 -3.23 118.70 119.18 1qk1 s GLU 265 Ca 0.33 -1.62 -0.11 0.00 0.02 0.00 0.00 54.97 53.59 1qk1 s GLU 265 Cb -0.09 -0.35 -0.07 0.00 0.10 0.00 0.00 34.13 33.72 1qk1 s GLU 265 CO 0.26 -0.16 0.61 -0.06 0.02 0.00 0.00 175.26 175.93 1qk1 s PHE 266 N -3.63 3.42 -0.13 1.61 0.08 -1.26 -0.91 117.98 117.16 1qk1 s PHE 266 Ca 0.28 0.95 -0.29 0.00 0.12 0.00 0.00 56.93 57.99 1qk1 s PHE 266 Cb 0.06 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 1qk1 s PHE 266 CO 0.07 0.19 1.22 -1.64 -0.10 0.00 0.00 175.22 174.96 1qk1 s MET 267 N -3.00 4.28 -0.08 0.44 -1.94 0.61 -4.61 119.30 115.00 1qk1 s MET 267 Ca 0.49 1.63 -0.27 0.00 -1.71 0.00 0.00 55.69 55.84 1qk1 s MET 267 Cb -0.11 -3.68 0.06 0.00 2.01 0.00 0.00 34.83 33.11 1qk1 s MET 267 CO 0.22 -0.61 0.62 -0.46 -0.01 0.00 0.00 175.02 174.78 1qk1 s TRP 268 N 3.02 -0.60 0.09 -0.03 -0.00 -1.26 -2.06 118.94 118.11 1qk1 s TRP 268 Ca 0.54 1.12 -0.15 0.00 -0.00 0.00 0.00 56.10 57.61 1qk1 s TRP 268 Cb -0.22 0.33 0.03 0.00 -0.00 0.00 0.00 33.47 33.61 1qk1 s TRP 268 CO 0.16 -0.52 0.37 0.54 -0.00 0.00 0.00 176.95 177.50 1qk1 s ASN 269 N -0.89 -0.19 0.58 5.86 2.20 -0.93 -4.99 114.94 116.58 1qk1 s ASN 269 Ca -0.09 -0.28 0.36 0.00 -0.94 0.00 0.00 52.86 51.91 1qk1 s ASN 269 Cb -0.02 0.43 1.63 0.00 -2.00 0.00 0.00 41.25 41.29 1qk1 s ASN 269 CO 0.07 -0.77 2.08 1.05 -2.94 0.00 0.00 177.10 176.59 1qk1 h GLU 270 N 2.64 0.00 0.00 3.55 4.11 -1.89 0.11 114.58 123.10 1qk1 h GLU 270 Ca -0.33 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.98 1qk1 h GLU 270 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1qk1 h GLU 270 CO 0.47 0.02 -1.48 2.89 0.07 0.00 0.00 179.01 180.98 1qk1 n ARG 271 N -3.13 0.63 0.00 1.06 1.85 -1.26 -0.76 116.66 115.04 1qk1 n ARG 271 Ca -0.00 0.12 0.01 0.00 -1.00 0.00 0.00 57.85 56.97 1qk1 n ARG 271 Cb 0.25 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 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 -2.73 0.92 0.00 2.89 4.77 -1.19 -4.32 117.00 117.35 1qk1 n LEU 272 Ca -0.08 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1qk1 n LEU 272 Cb 0.75 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1qk1 n LEU 272 CO 0.43 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1qk1 n GLY 273 N 0.37 1.33 3.73 -0.72 0.00 0.37 -0.34 105.19 109.94 1qk1 n GLY 273 Ca 0.01 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 3.35 -0.16 1.61 2.02 -0.38 -2.18 117.35 121.61 1qk1 s TYR 274 Ca 0.00 1.31 -0.17 0.00 -0.37 0.00 0.00 57.07 57.83 1qk1 s TYR 274 Cb 0.00 -3.51 -0.04 0.00 -0.40 0.00 0.00 41.96 38.01 1qk1 s TYR 274 CO 0.00 -1.53 0.46 0.42 -1.57 0.00 0.00 175.55 173.32 1qk1 s ILE 275 N 0.17 5.18 0.31 2.71 1.01 -0.87 -3.39 121.20 126.31 1qk1 s ILE 275 Ca 0.55 0.88 0.03 0.00 0.00 0.00 0.00 60.65 62.11 1qk1 s ILE 275 Cb -0.34 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 1qk1 s ILE 275 CO 0.36 0.28 0.10 -0.76 0.00 0.00 0.00 174.94 174.93 1qk1 s LEU 276 N 0.97 1.85 0.26 2.97 1.43 -1.26 -4.12 118.68 120.78 1qk1 s LEU 276 Ca 0.24 -1.45 0.04 0.00 -1.03 0.00 0.00 54.13 51.92 1qk1 s LEU 276 Cb -0.15 -0.08 0.34 0.00 0.03 0.00 0.00 46.19 46.33 1qk1 s LEU 276 CO 0.09 -0.75 1.63 0.00 0.23 0.00 0.00 176.35 177.55 1qk1 h THR 277 N 2.19 1.33 -3.35 5.49 1.03 -1.87 -3.43 112.91 114.30 1qk1 h THR 277 Ca -0.38 -1.67 -0.61 0.00 -0.01 0.00 0.00 66.41 63.75 1qk1 h THR 277 Cb 1.25 1.75 -0.14 0.00 -1.07 0.00 0.00 68.15 69.94 1qk1 h THR 277 CO 0.61 0.50 -0.51 0.00 -0.01 0.00 0.00 175.52 176.11 1qk1 h PRO 279 N 6.90 0.00 0.00 0.00 0.11 -1.82 -0.51 132.00 136.68 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 0.72 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.17 1qk1 h SER 280 N 0.00 0.00 -0.59 -2.05 4.64 -1.94 -3.13 113.55 110.49 1qk1 h SER 280 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1qk1 h SER 280 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 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 -2.89 4.94 -4.13 4.97 3.02 -0.20 -4.92 115.26 116.05 1qk1 n ASN 281 Ca 0.02 -2.63 -0.29 0.00 -0.03 0.00 0.00 54.58 51.65 1qk1 n ASN 281 Cb 0.34 -0.60 0.23 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.18 0.61 0.00 3.41 1.02 -1.18 -2.80 118.68 117.56 1qk1 s LEU 282 Ca 0.51 0.98 0.00 0.00 0.02 0.00 0.00 54.13 55.64 1qk1 s LEU 282 Cb 0.35 -2.81 0.00 0.00 0.02 0.00 0.00 46.19 43.75 1qk1 s LEU 282 CO 0.21 -4.11 0.00 0.61 0.02 0.00 0.00 176.35 173.07 1qk1 n GLY 283 N -0.23 1.93 0.01 -3.19 0.00 0.54 -2.75 105.19 101.49 1qk1 n GLY 283 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 0.14 -1.93 2.61 -2.24 -0.86 -1.25 114.28 110.74 1qk1 n THR 284 Ca 0.00 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 1qk1 n THR 284 Cb 0.00 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.86 0.55 3.77 3.38 0.00 -1.11 -4.63 105.19 109.01 1qk1 n GLY 285 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.93 4.33 -0.30 0.99 0.20 -1.26 -4.05 118.68 113.65 1qk1 s LEU 286 Ca 0.00 0.70 0.02 0.00 0.69 0.00 0.00 54.13 55.54 1qk1 s LEU 286 Cb 0.00 -2.48 0.09 0.00 -0.43 0.00 0.00 46.19 43.36 1qk1 s LEU 286 CO 0.00 0.16 0.03 -0.13 -0.29 0.00 0.00 176.35 176.12 1qk1 s ARG 287 N -0.04 1.35 -0.20 1.98 1.81 -0.34 -4.84 118.95 118.66 1qk1 s ARG 287 Ca 0.20 -1.38 -0.07 0.00 -1.72 0.00 0.00 55.73 52.77 1qk1 s ARG 287 Cb -0.14 -2.69 -0.03 0.00 -0.45 0.00 0.00 34.95 31.64 1qk1 s ARG 287 CO 0.08 -0.84 0.05 0.00 -0.68 0.00 0.00 175.30 173.91 1qk1 s ALA 288 N 1.25 3.24 0.35 2.13 0.00 -1.26 -1.34 121.76 126.13 1qk1 s ALA 288 Ca 0.05 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 1qk1 s ALA 288 Cb -0.19 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.06 1qk1 s ALA 288 CO -0.12 -0.05 0.69 0.20 0.00 0.00 0.00 175.76 176.47 1qk1 s GLY 289 N 0.82 0.56 0.10 0.00 0.00 -0.03 -2.61 107.32 106.15 1qk1 s GLY 289 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1qk1 s GLY 289 CO 0.02 -0.45 -0.02 -1.34 0.00 0.00 0.00 173.10 171.31 1qk1 s VAL 290 N -2.83 0.40 -0.31 1.40 -7.23 -0.39 -1.26 120.40 110.20 1qk1 s VAL 290 Ca 0.19 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1qk1 s VAL 290 Cb -0.04 -1.77 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 1qk1 s VAL 290 CO 0.13 -0.78 0.13 -1.00 -0.31 0.00 0.00 175.10 173.27 1qk1 s HIS 291 N -3.82 3.17 0.05 2.82 3.76 -0.62 -1.73 115.29 118.91 1qk1 s HIS 291 Ca 0.14 -0.69 0.07 0.00 -0.15 0.00 0.00 55.06 54.43 1qk1 s HIS 291 Cb 0.07 -2.32 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1qk1 s HIS 291 CO -0.04 -0.49 -0.18 -1.50 -0.85 0.00 0.00 174.74 171.67 1qk1 s ILE 292 N 1.58 1.48 -0.52 0.60 2.07 0.02 -0.09 121.20 126.34 1qk1 s ILE 292 Ca 0.04 -1.16 -0.22 0.00 -1.41 0.00 0.00 60.65 57.90 1qk1 s ILE 292 Cb -0.17 -1.31 0.05 0.00 0.13 0.00 0.00 42.46 41.16 1qk1 s ILE 292 CO 0.05 0.11 0.78 -0.75 -1.91 0.00 0.00 174.94 173.22 1qk1 s LYS 293 N -1.23 3.23 -0.44 3.50 2.20 0.23 -1.22 119.74 126.01 1qk1 s LYS 293 Ca 0.05 -0.56 0.10 0.00 -0.36 0.00 0.00 55.97 55.20 1qk1 s LYS 293 Cb -0.09 -4.07 0.34 0.00 -1.51 0.00 0.00 37.83 32.51 1qk1 s LYS 293 CO 0.02 -1.33 0.79 1.28 -0.36 0.00 0.00 175.35 175.75 1qk1 n LEU 294 N 6.78 2.01 0.09 5.43 4.77 0.13 -4.83 117.00 131.38 1qk1 n LEU 294 Ca -0.02 -5.22 -0.12 0.00 -0.03 0.00 0.00 56.01 50.62 1qk1 n LEU 294 Cb 0.46 0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.80 1qk1 n LEU 294 CO 0.59 2.30 0.69 1.55 -1.33 0.00 0.00 177.39 181.19 1qk1 h PRO 295 N 3.04 -0.42 0.20 3.23 0.13 -1.91 -2.26 132.00 134.00 1qk1 h PRO 295 Ca 0.11 0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1qk1 h PRO 295 Cb 0.82 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1qk1 h PRO 295 CO 0.60 -0.28 -0.09 -0.07 -0.23 0.00 0.00 178.00 177.93 1qk1 h LEU 296 N -0.43 -0.22 -1.16 1.56 3.38 -1.95 -3.28 115.31 113.21 1qk1 h LEU 296 Ca 0.05 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.82 1qk1 h LEU 296 Cb 0.49 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1qk1 h LEU 296 CO -0.19 0.17 0.58 0.25 0.09 0.00 0.00 178.44 179.34 1qk1 h LEU 297 N -0.66 0.89 -1.68 1.67 5.85 -1.93 -1.45 115.31 117.99 1qk1 h LEU 297 Ca -0.03 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1qk1 h LEU 297 Cb 0.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1qk1 h LEU 297 CO 0.04 0.57 -0.19 0.77 -0.34 0.00 0.00 178.44 179.29 1qk1 h SER 298 N 1.00 0.00 1.62 1.25 4.64 -1.49 -1.81 113.55 118.77 1qk1 h SER 298 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1qk1 h SER 298 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1qk1 h SER 298 CO -0.15 0.19 0.00 0.11 -0.87 0.00 0.00 176.83 176.11 1qk1 h LYS 299 N 0.00 0.00 -6.87 4.77 1.57 -1.32 -3.46 116.57 111.26 1qk1 h LYS 299 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1qk1 h LYS 299 Cb 0.37 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.70 1qk1 h LYS 299 CO 0.02 0.00 0.45 0.34 -0.57 0.00 0.00 179.45 179.69 1qk1 s ASP 300 N -5.29 7.07 0.32 0.86 -1.08 -0.68 -4.97 116.67 112.89 1qk1 s ASP 300 Ca 0.08 2.18 0.04 0.00 -0.52 0.00 0.00 52.55 54.33 1qk1 s ASP 300 Cb 0.09 -2.61 0.55 0.00 -1.46 0.00 0.00 42.92 39.49 1qk1 s ASP 300 CO 0.61 -0.28 1.82 -1.28 0.52 0.00 0.00 175.17 176.56 1qk1 h SER 301 N 3.30 0.44 0.62 -0.34 0.87 -1.88 -3.04 113.55 113.53 1qk1 h SER 301 Ca -0.47 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1qk1 h SER 301 Cb 1.21 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1qk1 h SER 301 CO 0.65 0.60 0.00 0.54 -0.53 0.00 0.00 176.83 178.09 1qk1 n ARG 302 N -4.21 0.20 -0.15 2.24 1.74 -1.26 -4.21 116.66 111.00 1qk1 n ARG 302 Ca 0.00 0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 1qk1 n ARG 302 Cb 0.32 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.74 -0.23 -1.55 3.57 -1.77 -1.31 116.94 114.91 1qk1 h PHE 303 Ca 0.00 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1qk1 h PHE 303 Cb 0.31 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1qk1 h PHE 303 CO 0.00 -0.35 0.16 -1.35 -2.23 0.00 0.00 178.31 174.54 1qk1 h PRO 304 N -0.17 0.09 0.08 6.41 0.11 -1.85 -1.45 132.00 135.23 1qk1 h PRO 304 Ca 0.21 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 66.07 1qk1 h PRO 304 Cb 0.51 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1qk1 h PRO 304 CO -0.58 0.06 -1.12 -0.22 -0.21 0.00 0.00 178.00 175.93 1qk1 h LYS 305 N 0.09 0.31 -0.36 1.05 1.63 -1.59 -2.20 116.57 115.49 1qk1 h LYS 305 Ca 0.11 -0.43 -0.05 0.00 -0.85 0.00 0.00 60.65 59.43 1qk1 h LYS 305 Cb 0.30 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1qk1 h LYS 305 CO -0.01 1.16 0.05 0.82 -3.45 0.00 0.00 179.45 178.02 1qk1 h ILE 306 N 0.12 1.24 -0.08 2.00 2.04 -0.33 -1.22 117.51 121.28 1qk1 h ILE 306 Ca -0.11 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1qk1 h ILE 306 Cb 1.81 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1qk1 h ILE 306 CO 0.18 0.29 0.05 -0.07 0.00 0.00 0.00 178.15 178.60 1qk1 h LEU 307 N 0.44 0.10 -0.36 1.44 4.07 -1.35 -2.27 115.31 117.39 1qk1 h LEU 307 Ca 0.11 -0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.06 1qk1 h LEU 307 Cb 0.37 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.04 1qk1 h LEU 307 CO 0.01 0.14 0.04 -0.08 -1.08 0.00 0.00 178.44 177.47 1qk1 h GLU 308 N 0.06 0.15 0.00 1.13 4.81 -1.25 -1.47 114.58 118.01 1qk1 h GLU 308 Ca 0.03 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1qk1 h GLU 308 Cb 0.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1qk1 h GLU 308 CO -0.00 0.10 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.23 1qk1 h ASN 309 N 0.16 0.00 0.09 1.04 4.21 -1.07 -1.77 115.58 118.24 1qk1 h ASN 309 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1qk1 h ASN 309 Cb 0.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1qk1 h ASN 309 CO -0.25 0.23 -0.08 0.18 -1.29 0.00 0.00 177.43 176.22 1qk1 n LEU 310 N -3.91 1.15 -3.40 1.61 4.77 -0.84 -2.43 117.00 113.95 1qk1 n LEU 310 Ca -0.02 -0.34 -0.19 0.00 -0.03 0.00 0.00 56.01 55.43 1qk1 n LEU 310 Cb 0.32 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1qk1 n LEU 310 CO 0.35 0.20 0.15 0.54 -1.33 0.00 0.00 177.39 177.29 1qk1 n ARG 311 N -0.25 -6.85 -4.37 3.23 1.74 -0.65 -4.90 116.66 104.61 1qk1 n ARG 311 Ca 0.17 0.82 -0.24 0.00 -0.77 0.00 0.00 57.85 57.83 1qk1 n ARG 311 Cb 0.33 -5.77 -0.12 0.00 -1.02 0.00 0.00 32.46 25.88 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 -6.51 2.42 0.11 0.55 1.43 -0.67 -2.15 118.68 113.87 1qk1 s LEU 312 Ca 0.18 -0.85 0.06 0.00 -1.03 0.00 0.00 54.13 52.49 1qk1 s LEU 312 Cb -0.08 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 1qk1 s LEU 312 CO 0.71 0.04 -0.15 0.00 0.23 0.00 0.00 176.35 177.18 1qk1 s GLN 313 N -2.67 1.00 0.19 1.70 -2.07 -0.26 -4.31 119.66 113.24 1qk1 s GLN 313 Ca 0.17 -1.18 0.10 0.00 -1.82 0.00 0.00 55.36 52.64 1qk1 s GLN 313 Cb -0.07 -0.95 -0.04 0.00 -1.09 0.00 0.00 33.01 30.86 1qk1 s GLN 313 CO 0.08 0.19 -0.21 -1.59 -1.32 0.00 0.00 175.29 172.44 1qk1 s LYS 314 N -2.41 1.44 0.33 9.60 -2.85 -1.26 -1.99 119.74 122.60 1qk1 s LYS 314 Ca 0.07 -1.52 -0.14 0.00 -1.00 0.00 0.00 55.97 53.38 1qk1 s LYS 314 Cb -0.06 -1.62 0.03 0.00 -2.06 0.00 0.00 37.83 34.12 1qk1 s LYS 314 CO 0.03 0.33 0.67 -0.98 0.10 0.00 0.00 175.35 175.50 1qk1 s ARG 315 N -2.86 1.96 0.44 1.78 1.70 -0.79 -4.98 118.95 116.20 1qk1 s ARG 315 Ca 0.20 -1.36 -0.22 0.00 -0.47 0.00 0.00 55.73 53.88 1qk1 s ARG 315 Cb -0.06 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.78 1qk1 s ARG 315 CO 0.09 -0.88 1.00 0.20 -1.08 0.00 0.00 175.30 174.63 1qk1 s GLY 316 N -3.06 2.51 0.00 3.88 0.00 -1.26 -1.92 107.32 107.47 1qk1 s GLY 316 Ca 0.18 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1qk1 s GLY 316 CO 0.12 0.86 0.00 2.41 0.00 0.00 0.00 173.10 176.48 1qk1 n THR 317 N -0.59 0.00 0.00 0.90 -1.04 -1.26 -4.72 114.28 107.57 1qk1 n THR 317 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1qk1 n THR 317 Cb 0.53 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 2.68 0.56 0.00 3.41 0.00 -1.26 -4.56 105.19 106.02 1qk1 n GLY 318 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 0.00 -0.02 0.00 -1.26 -5.10 105.19 98.81 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 -0.88 0.00 -1.88 1.61 0.24 -1.26 -5.12 118.33 111.04 1qk1 n VAL 320 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1qk1 n VAL 320 Cb 0.11 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 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 0.00 0.00 0.00 -1.34 5.75 -1.26 -5.01 116.55 114.69 1qk1 n ASP 321 Ca 0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.76 1qk1 n ASP 321 Cb 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.00 -3.84 2.12 -2.24 -1.26 -4.77 114.28 104.29 1qk1 n THR 322 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1qk1 n THR 322 Cb 0.50 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 1qk1 n THR 322 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qk1 s ALA 323 N -1.20 3.89 -0.26 6.98 0.00 -1.26 -4.87 121.76 125.04 1qk1 s ALA 323 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1qk1 s ALA 323 Cb 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 23.12 21.33 1qk1 s ALA 323 CO 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 175.76 176.01 1qk1 s ALA 324 N -1.92 2.62 0.14 0.00 0.00 -1.26 -4.23 121.76 117.11 1qk1 s ALA 324 Ca 0.36 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.51 1qk1 s ALA 324 Cb -0.10 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1qk1 s ALA 324 CO 0.30 -1.11 1.51 1.79 0.00 0.00 0.00 175.76 178.24 1qk1 h THR 325 N 6.57 1.28 0.00 0.00 1.35 -1.99 -3.46 112.91 116.65 1qk1 h THR 325 Ca -0.23 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1qk1 h THR 325 Cb 1.06 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1qk1 h THR 325 CO 0.50 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1qk1 n GLY 326 N -0.03 -1.82 3.55 5.82 0.00 -1.26 -4.98 105.19 106.47 1qk1 n GLY 326 Ca -0.01 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1qk1 n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qk1 n GLY 327 N 0.00 0.81 3.54 -0.02 0.00 -1.26 -4.91 105.19 103.35 1qk1 n GLY 327 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.54 4.77 0.26 1.61 1.01 -1.26 0.20 120.40 124.46 1qk1 s VAL 328 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1qk1 s VAL 328 Cb 0.00 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 1qk1 s VAL 328 CO 0.00 0.33 -0.03 -0.36 0.00 0.00 0.00 175.10 175.04 1qk1 s PHE 329 N 1.41 1.82 -0.39 5.22 0.40 -0.36 -4.38 117.98 121.70 1qk1 s PHE 329 Ca 0.06 -0.79 -0.07 0.00 -0.60 0.00 0.00 56.93 55.53 1qk1 s PHE 329 Cb -0.15 -1.05 0.07 0.00 0.51 0.00 0.00 43.02 42.40 1qk1 s PHE 329 CO 0.05 0.16 0.20 0.34 0.70 0.00 0.00 175.22 176.67 1qk1 s ASP 330 N -3.40 5.46 -0.15 1.36 -1.08 -0.81 -0.80 116.67 117.25 1qk1 s ASP 330 Ca 0.29 -1.47 -0.04 0.00 -0.52 0.00 0.00 52.55 50.81 1qk1 s ASP 330 Cb 0.05 -1.92 -0.03 0.00 -1.46 0.00 0.00 42.92 39.56 1qk1 s ASP 330 CO 0.11 -0.47 -0.01 -0.63 0.52 0.00 0.00 175.17 174.68 1qk1 s ILE 331 N 1.37 4.11 0.23 4.11 -1.09 -0.71 -1.88 121.20 127.35 1qk1 s ILE 331 Ca 0.02 -0.28 -0.12 0.00 -2.23 0.00 0.00 60.65 58.04 1qk1 s ILE 331 Cb -0.22 -2.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 1qk1 s ILE 331 CO 0.01 0.50 0.44 -0.94 -1.23 0.00 0.00 174.94 173.72 1qk1 s SER 332 N 0.25 -0.08 0.51 3.58 1.04 -0.84 -1.26 113.70 116.90 1qk1 s SER 332 Ca -0.01 -0.93 -0.22 0.00 0.48 0.00 0.00 55.95 55.27 1qk1 s SER 332 Cb -0.14 0.56 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 1qk1 s SER 332 CO 0.02 -1.10 1.23 0.54 0.98 0.00 0.00 173.24 174.91 1qk1 s ASN 333 N -3.02 5.76 -0.15 7.02 4.22 -1.07 -1.10 114.94 126.59 1qk1 s ASN 333 Ca 0.22 2.45 -0.15 0.00 -2.14 0.00 0.00 52.86 53.24 1qk1 s ASN 333 Cb 0.00 -2.61 -0.23 0.00 1.28 0.00 0.00 41.25 39.69 1qk1 s ASN 333 CO 0.08 -1.21 0.35 0.25 -2.04 0.00 0.00 177.10 174.53 1qk1 h LEU 334 N 1.69 0.23-10.21 3.54 7.12 -1.75 -3.44 115.31 112.49 1qk1 h LEU 334 Ca -0.50 -0.74 -0.49 0.00 0.13 0.00 0.00 57.88 56.28 1qk1 h LEU 334 Cb 1.27 -0.07 0.05 0.00 -0.53 0.00 0.00 40.66 41.38 1qk1 h LEU 334 CO 0.59 1.64 0.38 -1.81 -0.13 0.00 0.00 178.44 179.10 1qk1 s ASP 335 N -6.95 5.98 0.00 1.25 1.01 -1.26 -4.99 116.67 111.71 1qk1 s ASP 335 Ca -0.25 1.73 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1qk1 s ASP 335 Cb 0.06 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1qk1 s ASP 335 CO 0.69 -1.03 0.00 -1.14 0.21 0.00 0.00 175.17 173.90 1qk1 n ARG 336 N -2.00 0.00 -5.16 8.23 0.63 -1.26 -4.91 116.66 112.19 1qk1 n ARG 336 Ca 0.08 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.69 1qk1 n ARG 336 Cb 0.53 -0.49 -0.15 0.00 0.45 0.00 0.00 32.46 32.80 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 -2.24 2.27 0.00 6.15 0.20 -1.26 -2.04 118.68 121.76 1qk1 s LEU 337 Ca 0.00 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.41 1qk1 s LEU 337 Cb 0.00 -1.42 0.00 0.00 -0.43 0.00 0.00 46.19 44.34 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 0.49 2.89 7.98 0.00 -1.26 -4.97 105.19 112.94 1qk1 n GLY 338 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.93 0.03 0.86 1.61 1.02 -1.26 -4.75 119.74 116.32 1qk1 s LYS 339 Ca 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 55.97 55.87 1qk1 s LYS 339 Cb 0.00 0.01 0.11 0.00 -0.52 0.00 0.00 37.83 37.43 1qk1 s LYS 339 CO 0.00 -0.00 1.09 -1.54 -0.92 0.00 0.00 175.35 173.98 1qk1 s SER 340 N -0.06 3.87 0.35 2.83 1.04 -1.25 -4.79 113.70 115.69 1qk1 s SER 340 Ca -0.01 1.45 0.09 0.00 0.48 0.00 0.00 55.95 57.97 1qk1 s SER 340 Cb -0.01 -2.15 0.66 0.00 0.10 0.00 0.00 66.02 64.62 1qk1 s SER 340 CO -0.00 -2.39 1.82 1.05 0.98 0.00 0.00 173.24 174.71 1qk1 h GLU 341 N -1.37 0.17 -0.40 4.02 9.09 -1.82 -1.15 114.58 123.12 1qk1 h GLU 341 Ca -0.48 -0.06 -0.05 0.00 0.05 0.00 0.00 59.36 58.82 1qk1 h GLU 341 Cb 1.28 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.35 1qk1 h GLU 341 CO 0.56 0.45 0.05 0.28 0.05 0.00 0.00 179.01 180.40 1qk1 h VAL 342 N 0.15 1.25 -0.50 -1.06 2.07 -1.90 -1.48 116.25 114.78 1qk1 h VAL 342 Ca 0.02 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1qk1 h VAL 342 Cb 0.60 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1qk1 h VAL 342 CO 0.04 0.31 0.15 -0.33 0.02 0.00 0.00 177.57 177.76 1qk1 h GLU 343 N 0.51 0.74 -0.23 1.57 5.08 -1.78 -1.74 114.58 118.72 1qk1 h GLU 343 Ca 0.12 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1qk1 h GLU 343 Cb 0.40 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1qk1 h GLU 343 CO 0.01 0.65 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.14 1qk1 h LEU 344 N 0.72 0.80 -0.39 1.33 3.38 -0.95 -1.49 115.31 118.71 1qk1 h LEU 344 Ca 0.17 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1qk1 h LEU 344 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1qk1 h LEU 344 CO -0.01 1.20 -0.01 0.58 0.09 0.00 0.00 178.44 180.29 1qk1 h VAL 345 N 0.44 1.26 -0.84 1.22 2.07 -1.20 -1.64 116.25 117.56 1qk1 h VAL 345 Ca 0.01 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.54 1qk1 h VAL 345 Cb 1.06 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1qk1 h VAL 345 CO 0.10 0.34 0.54 -0.61 0.02 0.00 0.00 177.57 177.96 1qk1 h GLN 346 N 0.51 1.01 -0.44 1.57 5.75 -1.32 0.65 115.11 122.84 1qk1 h GLN 346 Ca 0.11 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1qk1 h GLN 346 Cb 0.49 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1qk1 h GLN 346 CO 0.02 0.67 0.07 1.25 -2.65 0.00 0.00 178.83 178.19 1qk1 h LEU 347 N 1.04 0.63 -0.22 -2.39 6.46 -1.02 0.12 115.31 119.94 1qk1 h LEU 347 Ca 0.34 -0.11 -0.14 0.00 -0.12 0.00 0.00 57.88 57.85 1qk1 h LEU 347 Cb 0.02 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1qk1 h LEU 347 CO -0.12 0.66 -0.39 0.58 -0.62 0.00 0.00 178.44 178.54 1qk1 h VAL 348 N 0.65 1.32 -0.23 1.05 2.07 -0.32 -0.98 116.25 119.80 1qk1 h VAL 348 Ca 0.14 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.06 1qk1 h VAL 348 Cb 0.31 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1qk1 h VAL 348 CO 0.00 0.50 0.14 0.40 0.02 0.00 0.00 177.57 178.64 1qk1 h ILE 349 N 0.36 1.03 -0.45 4.57 2.04 -0.56 0.14 117.51 124.64 1qk1 h ILE 349 Ca 0.01 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 1qk1 h ILE 349 Cb 0.99 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1qk1 h ILE 349 CO 0.09 0.05 0.10 0.44 0.00 0.00 0.00 178.15 178.83 1qk1 h ASP 350 N 0.29 0.69 -0.46 1.72 3.32 -0.97 -1.98 116.42 119.03 1qk1 h ASP 350 Ca 0.09 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1qk1 h ASP 350 Cb -0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1qk1 h ASP 350 CO -0.04 0.75 0.14 1.23 -1.72 0.00 0.00 179.24 179.61 1qk1 h GLY 351 N 0.59 0.78 1.27 2.75 0.00 -0.90 -2.14 103.07 105.42 1qk1 h GLY 351 Ca 0.14 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 1qk1 h GLY 351 CO 0.00 0.43 -0.20 -2.08 0.00 0.00 0.00 176.54 174.70 1qk1 h VAL 352 N 0.61 1.27 -0.72 4.60 2.07 -0.69 -1.72 116.25 121.67 1qk1 h VAL 352 Ca 0.15 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1qk1 h VAL 352 Cb 0.27 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1qk1 h VAL 352 CO -0.00 0.45 0.35 0.78 0.02 0.00 0.00 177.57 179.17 1qk1 h ASN 353 N 0.73 0.91 0.13 0.57 2.35 -1.23 -0.02 115.58 119.03 1qk1 h ASN 353 Ca 0.10 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1qk1 h ASN 353 Cb 0.72 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1qk1 h ASN 353 CO 0.06 0.77 -0.32 0.22 -1.65 0.00 0.00 177.43 176.50 1qk1 h TYR 354 N 1.01 0.32 -0.11 1.19 5.03 -0.99 -0.43 116.97 123.00 1qk1 h TYR 354 Ca 0.25 -0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 1qk1 h TYR 354 Cb 0.09 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 1qk1 h TYR 354 CO 0.01 0.58 -0.05 -0.07 -1.32 0.00 0.00 178.16 177.31 1qk1 h LEU 355 N 0.25 0.22 -1.18 2.82 4.07 -0.40 -1.47 115.31 119.62 1qk1 h LEU 355 Ca 0.03 -0.41 0.09 0.00 0.08 0.00 0.00 57.88 57.68 1qk1 h LEU 355 Cb 0.69 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.31 1qk1 h LEU 355 CO 0.05 0.58 0.58 0.40 -1.08 0.00 0.00 178.44 178.97 1qk1 h ILE 356 N -0.13 0.99 -0.19 1.22 2.04 -0.81 -0.94 117.51 119.68 1qk1 h ILE 356 Ca 0.02 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1qk1 h ILE 356 Cb 0.49 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1qk1 h ILE 356 CO 0.01 0.17 0.10 0.44 0.00 0.00 0.00 178.15 178.87 1qk1 h ASP 357 N 0.93 0.25 -0.68 1.72 5.19 -0.73 -1.03 116.42 122.07 1qk1 h ASP 357 Ca 0.41 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1qk1 h ASP 357 Cb 0.36 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1qk1 h ASP 357 CO -0.17 0.30 0.38 0.00 -3.12 0.00 0.00 179.24 176.62 1qk1 h GLU 359 N 0.94 0.25 -0.64 0.00 4.57 -1.01 -0.23 114.58 118.46 1qk1 h GLU 359 Ca 0.24 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.44 1qk1 h GLU 359 Cb 0.03 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1qk1 h GLU 359 CO -0.04 0.38 0.42 0.00 -1.18 0.00 0.00 179.01 178.59 1qk1 h ARG 360 N 0.08 0.54 0.21 1.92 3.08 -1.04 -1.55 114.38 117.61 1qk1 h ARG 360 Ca 0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1qk1 h ARG 360 Cb 0.23 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1qk1 h ARG 360 CO -0.00 0.36 -0.10 0.00 -1.07 0.00 0.00 179.97 179.16 1qk1 h ARG 361 N 0.56 -0.27 -0.31 0.04 3.08 -0.99 -2.82 114.38 113.67 1qk1 h ARG 361 Ca 0.29 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.44 1qk1 h ARG 361 Cb 0.39 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1qk1 h ARG 361 CO -0.09 0.11 0.40 -0.07 -1.07 0.00 0.00 179.97 179.25 1qk1 h LEU 362 N -0.78 0.00 -1.11 3.04 3.38 -0.63 0.33 115.31 119.54 1qk1 h LEU 362 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1qk1 h LEU 362 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1qk1 h LEU 362 CO 0.05 0.00 -0.43 -0.33 0.09 0.00 0.00 178.44 177.82 1qk1 h GLU 363 N 0.00 0.00 -0.73 1.13 5.08 -1.04 -2.36 114.58 116.66 1qk1 h GLU 363 Ca 0.15 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.13 1qk1 h GLU 363 Cb 0.94 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.96 1qk1 h GLU 363 CO -0.00 0.43 0.34 0.54 -1.00 0.00 0.00 179.01 179.32 1qk1 n ARG 364 N -3.92 2.08 -0.18 2.33 1.74 0.11 -4.92 116.66 113.90 1qk1 n ARG 364 Ca -0.01 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.97 1qk1 n ARG 364 Cb 0.47 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1qk1 n ARG 364 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qk1 n GLY 365 N -1.14 0.00 3.23 -0.13 0.00 -0.89 -4.93 105.19 101.33 1qk1 n GLY 365 Ca 0.49 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 1qk1 n GLY 365 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qk1 n GLN 366 N -1.64 -3.63 -4.24 1.61 6.02 -0.99 -4.92 117.38 109.59 1qk1 n GLN 366 Ca 0.00 -1.07 -0.27 0.00 -0.01 0.00 0.00 57.00 55.65 1qk1 n GLN 366 Cb 0.00 -1.85 -0.09 0.00 1.02 0.00 0.00 30.24 29.32 1qk1 n GLN 366 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1qk1 s ASP 367 N -2.60 4.47 0.26 1.08 2.15 -1.26 -4.36 116.67 116.41 1qk1 s ASP 367 Ca 0.60 -0.47 0.07 0.00 0.43 0.00 0.00 52.55 53.18 1qk1 s ASP 367 Cb -0.14 -0.85 -0.03 0.00 -0.30 0.00 0.00 42.92 41.60 1qk1 s ASP 367 CO 0.54 0.12 0.25 0.27 -0.17 0.00 0.00 175.17 176.18 1qk1 s ILE 368 N -1.59 4.50 0.03 4.11 -4.36 -1.26 -4.96 121.20 117.67 1qk1 s ILE 368 Ca 0.25 -1.31 0.08 0.00 -0.26 0.00 0.00 60.65 59.41 1qk1 s ILE 368 Cb -0.10 -3.47 -0.03 0.00 1.25 0.00 0.00 42.46 40.11 1qk1 s ILE 368 CO 0.16 -0.32 -0.22 -0.13 0.24 0.00 0.00 174.94 174.67 1qk1 s ARG 369 N -3.90 1.99 -0.12 0.37 0.52 -1.26 -5.09 118.95 111.46 1qk1 s ARG 369 Ca 0.34 -1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 1qk1 s ARG 369 Cb -0.08 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 33.27 1qk1 s ARG 369 CO 0.26 0.54 1.29 0.42 0.02 0.00 0.00 175.30 177.83 1qk1 s ILE 370 N -0.83 4.17 0.74 1.52 -1.09 -1.26 -4.98 121.20 119.48 1qk1 s ILE 370 Ca 0.13 1.45 -0.13 0.00 -2.23 0.00 0.00 60.65 59.86 1qk1 s ILE 370 Cb -0.10 -3.93 0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1qk1 s ILE 370 CO 0.03 -0.09 1.15 -2.16 -1.23 0.00 0.00 174.94 172.64 1qk1 s PRO 371 N 3.15 2.20 0.10 2.79 0.04 -1.26 -4.97 135.00 137.07 1qk1 s PRO 371 Ca 0.57 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1qk1 s PRO 371 Cb -0.24 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1qk1 s PRO 371 CO 0.18 -1.73 1.13 -0.08 0.04 0.00 0.00 177.00 176.54 1qk1 s THR 372 N -2.36 4.06 0.35 1.26 -1.32 -1.26 -4.93 115.64 111.44 1qk1 s THR 372 Ca 0.68 1.59 -0.29 0.00 -1.21 0.00 0.00 61.69 62.47 1qk1 s THR 372 Cb -0.23 -4.02 -0.12 0.00 -1.51 0.00 0.00 72.50 66.62 1qk1 s THR 372 CO 0.48 0.19 1.47 -0.81 -2.21 0.00 0.00 174.62 173.74 1qk1 n PRO 373 N 3.25 2.56 -2.34 7.08 -0.04 -1.26 -4.85 135.00 139.39 1qk1 n PRO 373 Ca 0.06 0.90 -0.36 0.00 -0.04 0.00 0.00 63.50 64.06 1qk1 n PRO 373 Cb 0.47 -2.61 -0.01 0.00 -0.04 0.00 0.00 33.50 31.30 1qk1 n PRO 373 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qk1 s VAL 374 N -0.84 3.31 0.19 0.52 -7.23 -1.02 -5.05 120.40 110.29 1qk1 s VAL 374 Ca 0.56 0.92 -0.09 0.00 -1.81 0.00 0.00 61.98 61.56 1qk1 s VAL 374 Cb -0.50 -3.43 -0.01 0.00 0.56 0.00 0.00 36.38 32.99 1qk1 s VAL 374 CO 0.60 -0.07 0.32 0.27 -0.31 0.00 0.00 175.10 175.91 1qk1 s ILE 375 N -1.68 0.04 0.00 -0.62 -4.36 -1.26 -5.04 121.20 108.28 1qk1 s ILE 375 Ca 0.65 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1qk1 s ILE 375 Cb -0.25 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.46 1qk1 s ILE 375 CO 0.30 -0.18 0.00 1.57 0.24 0.00 0.00 174.94 176.87 1qk1 n HIS 376 N -0.27 0.00 -2.75 1.37 -0.00 -1.26 -4.99 115.22 107.32 1qk1 n HIS 376 Ca -0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.63 1qk1 n HIS 376 Cb 0.63 -0.44 0.05 0.00 -0.00 0.00 0.00 29.99 30.23 1qk1 n HIS 376 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1qk1 n THR 377 N 1.39 1.06 0.60 3.57 -2.24 -1.26 -4.91 114.28 112.50 1qk1 n THR 377 Ca 0.00 -2.85 0.12 0.00 -2.27 0.00 0.00 64.05 59.05 1qk1 n THR 377 Cb 0.00 1.01 0.46 0.00 -2.10 0.00 0.00 70.33 69.69 1qk1 n THR 377 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qk1 n LYS 378 N -0.40 0.16 -0.86 -0.78 5.02 -1.26 -4.71 118.16 115.32 1qk1 n LYS 378 Ca 0.07 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1qk1 n LYS 378 Cb 0.81 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1qk1 n LYS 378 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46