#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk1 s ALA 2 N 0.00 -2.32 -0.05 0.00 0.00 -1.26 -5.02 121.76 113.10 1qk1 s ALA 2 Ca 0.00 2.19 0.13 0.00 0.00 0.00 0.00 51.96 54.28 1qk1 s ALA 2 Cb 0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 23.12 21.24 1qk1 s ALA 2 CO 0.00 -0.39 1.03 0.77 0.00 0.00 0.00 175.76 177.17 1qk1 h SER 3 N 6.13 0.00 0.00 0.00 0.02 -2.07 -3.46 113.55 114.17 1qk1 h SER 3 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1qk1 h SER 3 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1qk1 h SER 3 CO 0.19 0.76 0.00 -0.62 -1.14 0.00 0.00 176.83 176.02 1qk1 n GLU 4 N -3.11 0.00 0.07 3.45 1.02 -1.26 -2.96 120.64 117.86 1qk1 n GLU 4 Ca -0.06 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 1qk1 n GLU 4 Cb 0.89 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.57 1qk1 n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qk1 n ARG 5 N 0.00 0.27 -2.72 3.49 5.12 -1.26 -4.88 116.66 116.68 1qk1 n ARG 5 Ca 0.00 0.13 -0.33 0.00 -1.93 0.00 0.00 57.85 55.72 1qk1 n ARG 5 Cb 0.00 -1.72 -0.06 0.00 -1.16 0.00 0.00 32.46 29.52 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 -3.14 4.14 -0.04 5.56 0.52 -1.15 -5.04 118.95 119.80 1qk1 s ARG 6 Ca 0.08 1.10 -0.12 0.00 -0.52 0.00 0.00 55.73 56.27 1qk1 s ARG 6 Cb 0.13 -2.17 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 1qk1 s ARG 6 CO 0.67 -0.11 0.33 1.03 0.02 0.00 0.00 175.30 177.25 1qk1 s ARG 7 N -3.36 3.78 0.25 3.54 1.81 -1.26 -5.07 118.95 118.63 1qk1 s ARG 7 Ca 0.62 0.25 -0.17 0.00 -1.72 0.00 0.00 55.73 54.71 1qk1 s ARG 7 Cb -0.10 -3.21 -0.08 0.00 -0.45 0.00 0.00 34.95 31.11 1qk1 s ARG 7 CO 0.17 0.71 0.69 -0.51 -0.68 0.00 0.00 175.30 175.69 1qk1 s LEU 8 N -1.05 4.24 0.23 2.53 1.43 -1.26 -5.00 118.68 119.80 1qk1 s LEU 8 Ca 0.21 1.29 -0.32 0.00 -1.03 0.00 0.00 54.13 54.28 1qk1 s LEU 8 Cb -0.15 -3.71 -0.13 0.00 0.03 0.00 0.00 46.19 42.22 1qk1 s LEU 8 CO 0.11 -0.04 1.52 -1.22 0.23 0.00 0.00 176.35 176.94 1qk1 n TYR 9 N 0.31 2.39 -1.31 0.29 4.01 -1.26 -4.90 117.16 116.70 1qk1 n TYR 9 Ca -0.01 0.32 -0.32 0.00 -0.16 0.00 0.00 57.90 57.73 1qk1 n TYR 9 Cb 0.52 -2.53 0.10 0.00 -0.31 0.00 0.00 39.34 37.12 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 0.05 2.11 0.24 -0.72 0.04 -1.26 -4.88 135.00 130.58 1qk1 s PRO 10 Ca 0.71 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 63.08 1qk1 s PRO 10 Cb -0.61 -1.86 0.35 0.00 0.04 0.00 0.00 34.50 32.41 1qk1 s PRO 10 CO 0.45 -1.79 1.61 -1.35 0.04 0.00 0.00 177.00 175.95 1qk1 h PRO 11 N -0.79 0.01 -0.11 0.56 0.11 -1.96 0.11 132.00 129.93 1qk1 h PRO 11 Ca -0.45 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1qk1 h PRO 11 Cb 1.26 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1qk1 h PRO 11 CO 0.50 0.01 0.12 0.77 -0.21 0.00 0.00 178.00 179.18 1qk1 h SER 12 N 0.01 0.00 0.80 -2.05 0.02 -1.94 -0.38 113.55 110.02 1qk1 h SER 12 Ca 0.38 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1qk1 h SER 12 Cb 0.60 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1qk1 h SER 12 CO -0.78 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 174.87 1qk1 h ALA 13 N 1.87 1.03 -0.01 3.77 0.00 -1.30 -2.76 119.26 121.86 1qk1 h ALA 13 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qk1 h ALA 13 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qk1 h ALA 13 CO -0.00 0.05 -0.57 0.39 0.00 0.00 0.00 179.25 179.12 1qk1 n GLU 14 N -3.18 1.17 -1.69 0.00 -0.58 -0.17 -5.00 120.64 111.19 1qk1 n GLU 14 Ca -0.00 -0.66 -0.44 0.00 -0.42 0.00 0.00 57.16 55.64 1qk1 n GLU 14 Cb 0.28 -1.41 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 1qk1 n GLU 14 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1qk1 n TYR 15 N -0.47 2.39 -2.27 -0.32 9.36 -1.04 -4.95 117.16 119.86 1qk1 n TYR 15 Ca 0.07 0.33 -0.33 0.00 3.32 0.00 0.00 57.90 61.29 1qk1 n TYR 15 Cb 0.39 -2.52 -0.01 0.00 -0.63 0.00 0.00 39.34 36.56 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 -0.07 3.53 -0.64 2.98 0.04 -1.26 -4.98 135.00 134.60 1qk1 s PRO 16 Ca 0.70 1.29 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 1qk1 s PRO 16 Cb -0.61 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 31.95 1qk1 s PRO 16 CO 0.46 -0.65 0.93 0.34 0.04 0.00 0.00 177.00 178.11 1qk1 s ASP 17 N -2.39 6.18 -0.22 6.66 -1.08 -1.26 -4.88 116.67 119.68 1qk1 s ASP 17 Ca 0.66 -1.00 0.14 0.00 -0.52 0.00 0.00 52.55 51.83 1qk1 s ASP 17 Cb -0.17 -2.40 0.61 0.00 -1.46 0.00 0.00 42.92 39.50 1qk1 s ASP 17 CO 0.29 -1.38 1.54 0.18 0.52 0.00 0.00 175.17 176.32 1qk1 n LEU 18 N 7.51 4.54 0.21 -1.34 4.77 -1.26 -4.72 117.00 126.72 1qk1 n LEU 18 Ca -0.04 -3.13 0.11 0.00 -0.03 0.00 0.00 56.01 52.92 1qk1 n LEU 18 Cb 0.45 -0.61 0.67 0.00 -2.33 0.00 0.00 43.42 41.60 1qk1 n LEU 18 CO 0.63 0.75 1.09 0.03 -1.33 0.00 0.00 177.39 178.57 1qk1 h ARG 19 N 2.18 0.00 -0.47 3.23 3.08 -2.00 -2.06 114.38 118.34 1qk1 h ARG 19 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1qk1 h ARG 19 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1qk1 h ARG 19 CO 0.36 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.89 1qk1 n LYS 20 N -4.46 3.18 -2.91 0.04 5.02 -1.26 -5.01 118.16 112.75 1qk1 n LYS 20 Ca -0.01 -2.57 -0.30 0.00 -2.02 0.00 0.00 58.31 53.41 1qk1 n LYS 20 Cb 0.19 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.67 3.46 -0.44 2.13 3.76 -0.77 -4.86 115.29 116.90 1qk1 s HIS 21 Ca 0.39 1.03 0.05 0.00 -0.15 0.00 0.00 55.06 56.38 1qk1 s HIS 21 Cb 0.25 -2.43 0.18 0.00 1.11 0.00 0.00 32.58 31.69 1qk1 s HIS 21 CO 0.19 -0.07 0.44 -1.71 -0.85 0.00 0.00 174.74 172.75 1qk1 n ASN 22 N -1.19 -1.19 -3.70 1.40 5.15 0.36 -4.99 115.26 111.11 1qk1 n ASN 22 Ca 0.02 -2.52 -0.10 0.00 -0.60 0.00 0.00 54.58 51.38 1qk1 n ASN 22 Cb 0.54 0.01 -0.05 0.00 -0.53 0.00 0.00 39.78 39.75 1qk1 n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1qk1 s ASN 23 N 0.18 -0.18 0.26 1.20 2.20 -1.26 -4.01 114.94 113.33 1qk1 s ASN 23 Ca 0.32 -0.42 -0.02 0.00 -0.94 0.00 0.00 52.86 51.81 1qk1 s ASN 23 Cb 0.04 0.48 0.47 0.00 -2.00 0.00 0.00 41.25 40.24 1qk1 s ASN 23 CO -0.16 -0.88 1.81 0.00 -2.94 0.00 0.00 177.10 174.93 1qk1 h MET 25 N 0.85 0.00 -0.08 0.00 1.85 -1.46 -2.25 114.93 113.84 1qk1 h MET 25 Ca 0.44 -0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.49 1qk1 h MET 25 Cb 0.45 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 1qk1 h MET 25 CO -0.27 0.00 -0.15 0.00 -0.40 0.00 0.00 176.91 176.09 1qk1 h ALA 26 N 1.19 1.60 0.00 0.39 0.00 -1.71 -1.46 119.26 119.27 1qk1 h ALA 26 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qk1 h ALA 26 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qk1 h ALA 26 CO -0.20 0.30 0.00 0.43 0.00 0.00 0.00 179.25 179.78 1qk1 n SER 27 N -4.30 0.66 0.00 0.00 7.64 -0.87 -3.80 113.62 112.95 1qk1 n SER 27 Ca -0.01 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1qk1 n SER 27 Cb 0.26 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 -2.20 0.00 -2.57 1.43 8.25 -0.81 -5.01 115.22 114.31 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 0.28 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.00 4.48 0.14 2.41 2.96 -0.61 -4.98 118.68 121.08 1qk1 s LEU 29 Ca 0.00 1.99 0.02 0.00 -0.22 0.00 0.00 54.13 55.92 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 -0.19 -0.03 0.42 -1.32 0.00 0.00 176.35 175.23 1qk1 s THR 30 N -0.07 0.67 0.28 3.68 -4.23 -1.26 -4.97 115.64 109.73 1qk1 s THR 30 Ca 0.49 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1qk1 s THR 30 Cb -0.28 -1.92 0.28 0.00 1.34 0.00 0.00 72.50 71.93 1qk1 s THR 30 CO 0.33 -0.66 1.88 -0.65 -0.54 0.00 0.00 174.62 174.99 1qk1 h PRO 31 N 2.82 1.07 -0.32 3.99 0.11 -1.99 -0.80 132.00 136.89 1qk1 h PRO 31 Ca -0.36 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qk1 h PRO 31 Cb 1.19 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1qk1 h PRO 31 CO 0.63 0.71 0.18 0.00 -0.21 0.00 0.00 178.00 179.31 1qk1 h ALA 32 N 1.49 0.41 -0.45 -0.75 0.00 -1.99 -0.28 119.26 117.69 1qk1 h ALA 32 Ca 0.43 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1qk1 h ALA 32 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1qk1 h ALA 32 CO -0.18 -0.07 -0.10 0.28 0.00 0.00 0.00 179.25 179.18 1qk1 h VAL 33 N 0.40 1.27 -0.30 0.00 2.07 -1.84 -1.71 116.25 116.13 1qk1 h VAL 33 Ca 0.11 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1qk1 h VAL 33 Cb 0.04 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1qk1 h VAL 33 CO -0.02 0.41 0.19 0.22 0.02 0.00 0.00 177.57 178.39 1qk1 h TYR 34 N 0.69 0.39 -0.48 1.57 3.20 -0.98 -1.58 116.97 119.79 1qk1 h TYR 34 Ca 0.11 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 1qk1 h TYR 34 Cb 0.64 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1qk1 h TYR 34 CO 0.05 0.28 0.08 0.00 -1.64 0.00 0.00 178.16 176.93 1qk1 h ALA 35 N 1.08 1.24 -0.17 1.82 0.00 -0.91 0.76 119.26 123.09 1qk1 h ALA 35 Ca 0.11 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1qk1 h ALA 35 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1qk1 h ALA 35 CO -0.02 0.52 -0.41 -0.09 0.00 0.00 0.00 179.25 179.25 1qk1 h ARG 36 N 0.72 0.39 0.00 0.00 2.43 -0.96 -3.33 114.38 113.62 1qk1 h ARG 36 Ca 0.15 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1qk1 h ARG 36 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1qk1 h ARG 36 CO 0.00 0.74 -1.17 1.28 -1.51 0.00 0.00 179.97 179.31 1qk1 n LEU 37 N -4.02 0.51 0.17 3.80 4.77 -0.62 -4.55 117.00 117.05 1qk1 n LEU 37 Ca -0.02 -0.32 0.12 0.00 -0.03 0.00 0.00 56.01 55.76 1qk1 n LEU 37 Cb 0.50 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.19 1qk1 n LEU 37 CO 0.43 0.13 0.85 0.00 -1.33 0.00 0.00 177.39 177.47 1qk1 n ASP 39 N -2.29 0.30 -4.80 0.00 8.00 -1.26 -4.84 116.55 111.66 1qk1 n ASP 39 Ca -0.01 0.12 -0.32 0.00 0.71 0.00 0.00 54.79 55.29 1qk1 n ASP 39 Cb 0.06 1.42 0.04 0.00 -0.02 0.00 0.00 41.12 42.63 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 -3.44 2.94 0.02 -1.24 1.02 -0.76 -5.07 119.74 113.21 1qk1 s LYS 40 Ca -0.05 1.12 -0.11 0.00 0.02 0.00 0.00 55.97 56.94 1qk1 s LYS 40 Cb 0.12 -1.98 0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1qk1 s LYS 40 CO 0.87 -1.11 0.24 -0.08 -0.92 0.00 0.00 175.35 174.34 1qk1 s THR 41 N -2.75 0.09 0.56 2.17 -1.32 -1.26 -4.52 115.64 108.60 1qk1 s THR 41 Ca 0.61 -0.71 -0.02 0.00 -1.21 0.00 0.00 61.69 60.37 1qk1 s THR 41 Cb -0.16 -0.75 0.02 0.00 -1.51 0.00 0.00 72.50 70.10 1qk1 s THR 41 CO 0.48 -0.39 0.81 0.42 -2.21 0.00 0.00 174.62 173.73 1qk1 s THR 42 N -2.02 3.20 0.51 5.08 -4.23 -0.81 -4.91 115.64 112.45 1qk1 s THR 42 Ca -0.09 -0.41 0.27 0.00 -1.18 0.00 0.00 61.69 60.28 1qk1 s THR 42 Cb -0.03 -3.24 0.43 0.00 1.34 0.00 0.00 72.50 71.00 1qk1 s THR 42 CO -0.01 -0.20 1.92 -0.65 -0.54 0.00 0.00 174.62 175.15 1qk1 h PRO 43 N -0.00 0.08 -0.62 3.99 0.11 -1.97 0.20 132.00 133.80 1qk1 h PRO 43 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qk1 h PRO 43 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qk1 h PRO 43 CO 0.57 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.66 1qk1 n THR 44 N -4.35 1.20 -0.57 -1.15 -2.24 -1.26 -4.95 114.28 100.96 1qk1 n THR 44 Ca 0.16 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1qk1 n THR 44 Cb 0.78 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.17 0.73 3.75 3.38 0.00 0.70 -5.06 105.19 109.87 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 -2.26 3.33 0.43 1.61 -0.11 -1.26 -4.70 118.94 115.98 1qk1 s TRP 46 Ca 0.00 1.44 0.06 0.00 1.22 0.00 0.00 56.10 58.82 1qk1 s TRP 46 Cb 0.00 -3.50 -0.05 0.00 -1.50 0.00 0.00 33.47 28.42 1qk1 s TRP 46 CO 0.00 -1.37 0.11 0.95 -4.62 0.00 0.00 176.95 172.02 1qk1 s THR 47 N -0.53 2.01 0.11 5.86 -4.23 -1.26 -1.93 115.64 115.68 1qk1 s THR 47 Ca 0.51 -1.83 -0.17 0.00 -1.18 0.00 0.00 61.69 59.02 1qk1 s THR 47 Cb -0.35 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 1qk1 s THR 47 CO 0.42 0.00 1.62 0.25 -0.54 0.00 0.00 174.62 176.36 1qk1 h LEU 48 N 1.49 0.50 -1.13 4.79 5.85 -1.82 -2.09 115.31 122.91 1qk1 h LEU 48 Ca -0.43 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.14 1qk1 h LEU 48 Cb 1.26 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1qk1 h LEU 48 CO 0.74 0.59 0.60 0.44 -0.34 0.00 0.00 178.44 180.47 1qk1 h ASP 49 N 0.38 0.91 0.42 1.25 3.32 -1.93 -1.22 116.42 119.54 1qk1 h ASP 49 Ca 0.11 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1qk1 h ASP 49 Cb 0.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1qk1 h ASP 49 CO -0.00 0.56 -0.49 1.56 -1.72 0.00 0.00 179.24 179.16 1qk1 h GLN 50 N 1.02 0.08 0.03 3.56 4.20 -1.88 -1.50 115.11 120.62 1qk1 h GLN 50 Ca 0.41 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.08 1qk1 h GLN 50 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1qk1 h GLN 50 CO -0.17 0.55 -0.01 0.00 -0.67 0.00 0.00 178.83 178.53 1qk1 n ILE 52 N -5.03 0.00 -0.21 0.00 -5.35 -0.85 -1.66 119.36 106.25 1qk1 n ILE 52 Ca -0.08 -0.12 0.02 0.00 -0.27 0.00 0.00 62.75 62.30 1qk1 n ILE 52 Cb 0.11 0.17 0.12 0.00 -1.74 0.00 0.00 39.64 38.30 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 1.17 0.22 -0.33 6.28 5.75 -1.33 0.38 115.11 127.24 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 0.41 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1qk1 h GLN 53 CO 0.00 0.14 0.16 0.00 -2.65 0.00 0.00 178.83 176.48 1qk1 h THR 54 N 0.22 1.12 0.00 2.39 1.03 -1.78 -0.75 112.91 115.14 1qk1 h THR 54 Ca 0.34 -0.34 -0.12 0.00 -0.01 0.00 0.00 66.41 66.29 1qk1 h THR 54 Cb 0.54 0.70 -0.02 0.00 -1.07 0.00 0.00 68.15 68.30 1qk1 h THR 54 CO -0.46 0.14 -0.55 1.23 -0.01 0.00 0.00 175.52 175.87 1qk1 h GLY 55 N 0.57 0.00 1.19 2.99 0.00 -0.21 -1.94 103.07 105.66 1qk1 h GLY 55 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.16 1qk1 h GLY 55 CO -0.02 0.00 -1.18 -2.08 0.00 0.00 0.00 176.54 173.27 1qk1 h VAL 56 N 0.00 1.29 0.00 4.60 2.07 -0.50 -3.30 116.25 120.42 1qk1 h VAL 56 Ca -0.01 -2.41 -0.06 0.00 0.82 0.00 0.00 66.70 65.04 1qk1 h VAL 56 Cb 1.02 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.45 1qk1 h VAL 56 CO 0.07 0.73 -0.30 0.44 0.02 0.00 0.00 177.57 178.53 1qk1 h ASP 57 N 0.25 0.00 -4.16 0.57 5.19 -1.12 -3.39 116.42 113.76 1qk1 h ASP 57 Ca -0.18 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.59 1qk1 h ASP 57 Cb 1.85 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.96 1qk1 h ASP 57 CO 0.23 0.30 -0.66 0.20 -3.12 0.00 0.00 179.24 176.19 1qk1 s ASN 58 N -6.34 4.34 0.32 6.45 0.01 -0.74 -4.96 114.94 114.02 1qk1 s ASN 58 Ca -0.00 -2.81 0.05 0.00 -0.71 0.00 0.00 52.86 49.39 1qk1 s ASN 58 Cb 0.11 -1.58 0.68 0.00 0.41 0.00 0.00 41.25 40.88 1qk1 s ASN 58 CO 0.66 -0.26 1.85 -0.65 -1.51 0.00 0.00 177.10 177.19 1qk1 h PRO 59 N 6.74 0.82 0.00 -0.60 0.11 -1.77 -3.45 132.00 133.86 1qk1 h PRO 59 Ca -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1qk1 h PRO 59 Cb 0.92 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1qk1 h PRO 59 CO 0.64 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 1qk1 n GLY 60 N -1.39 -1.63 3.42 -0.55 0.00 -1.26 -0.48 105.19 103.29 1qk1 n GLY 60 Ca 0.18 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 2.41 0.14 1.61 2.46 -1.23 -4.90 115.29 115.79 1qk1 s HIS 61 Ca 0.00 -0.34 0.26 0.00 0.47 0.00 0.00 55.06 55.46 1qk1 s HIS 61 Cb 0.00 -1.34 1.05 0.00 -0.13 0.00 0.00 32.58 32.16 1qk1 s HIS 61 CO 0.00 0.29 1.88 -1.35 -2.47 0.00 0.00 174.74 173.08 1qk1 h PRO 62 N 4.17 0.00 0.00 2.88 0.11 -1.94 -3.10 132.00 134.12 1qk1 h PRO 62 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qk1 h PRO 62 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qk1 h PRO 62 CO 0.43 0.16 -1.07 1.19 -0.21 0.00 0.00 178.00 178.50 1qk1 n PHE 63 N -3.33 0.62 -4.01 0.65 3.72 -1.26 -4.83 117.46 109.01 1qk1 n PHE 63 Ca 0.00 0.18 -0.27 0.00 -0.05 0.00 0.00 57.45 57.31 1qk1 n PHE 63 Cb 0.39 -0.73 -0.17 0.00 -0.94 0.00 0.00 39.48 38.03 1qk1 n PHE 63 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1qk1 s ILE 64 N -3.31 1.17 -0.32 4.37 -1.09 -1.17 -5.12 121.20 115.73 1qk1 s ILE 64 Ca 0.01 -0.39 -0.11 0.00 -2.23 0.00 0.00 60.65 57.93 1qk1 s ILE 64 Cb 0.12 -1.15 -0.01 0.00 -1.58 0.00 0.00 42.46 39.84 1qk1 s ILE 64 CO 0.80 0.39 0.18 -0.75 -1.23 0.00 0.00 174.94 174.33 1qk1 s LYS 65 N 1.54 3.45 0.57 2.79 2.20 -1.26 -3.48 119.74 125.56 1qk1 s LYS 65 Ca 0.03 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 54.98 1qk1 s LYS 65 Cb -0.13 -3.65 0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1qk1 s LYS 65 CO -0.07 -0.40 0.82 0.95 -0.36 0.00 0.00 175.35 176.29 1qk1 s THR 66 N 1.66 2.77 -0.02 3.43 -4.23 -1.26 -4.88 115.64 113.11 1qk1 s THR 66 Ca 0.05 -0.53 -0.25 0.00 -1.18 0.00 0.00 61.69 59.78 1qk1 s THR 66 Cb -0.17 -3.07 -0.19 0.00 1.34 0.00 0.00 72.50 70.40 1qk1 s THR 66 CO 0.08 -0.06 1.22 0.58 -0.54 0.00 0.00 174.62 175.90 1qk1 h VAL 67 N -0.05 1.23 0.00 2.29 2.07 -1.94 -0.96 116.25 118.89 1qk1 h VAL 67 Ca -0.43 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1qk1 h VAL 67 Cb 1.29 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1qk1 h VAL 67 CO 0.55 0.26 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1qk1 n GLY 68 N 0.19 0.65 3.52 2.17 0.00 -1.26 -1.29 105.19 109.18 1qk1 n GLY 68 Ca -0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.62 0.95 0.23 1.61 0.23 -1.26 -1.87 119.30 118.58 1qk1 s MET 69 Ca 0.00 0.14 0.05 0.00 -1.03 0.00 0.00 55.69 54.85 1qk1 s MET 69 Cb 0.00 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 1qk1 s MET 69 CO 0.00 -0.32 -0.06 0.14 -2.03 0.00 0.00 175.02 172.76 1qk1 s VAL 70 N -1.49 1.36 -0.07 5.16 -7.23 -0.66 -4.51 120.40 112.96 1qk1 s VAL 70 Ca -0.07 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 57.96 1qk1 s VAL 70 Cb -0.00 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1qk1 s VAL 70 CO 0.05 -0.42 0.15 0.00 -0.31 0.00 0.00 175.10 174.58 1qk1 s ALA 71 N -3.20 3.89 -0.14 1.32 0.00 -0.53 -4.52 121.76 118.58 1qk1 s ALA 71 Ca 0.26 -0.70 0.20 0.00 0.00 0.00 0.00 51.96 51.72 1qk1 s ALA 71 Cb 0.04 -1.91 -0.16 0.00 0.00 0.00 0.00 23.12 21.08 1qk1 s ALA 71 CO 0.08 0.67 0.72 0.41 0.00 0.00 0.00 175.76 177.65 1qk1 n GLY 72 N 1.55 -1.21 3.86 0.00 0.00 -1.26 -4.59 105.19 103.54 1qk1 n GLY 72 Ca -0.16 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.28 0.01 0.20 1.61 1.47 -1.26 -0.86 116.67 112.56 1qk1 s ASP 73 Ca -0.04 -0.88 -0.10 0.00 1.18 0.00 0.00 52.55 52.71 1qk1 s ASP 73 Cb 0.10 0.64 0.13 0.00 -0.34 0.00 0.00 42.92 43.45 1qk1 s ASP 73 CO 0.83 -1.28 1.79 -0.08 0.68 0.00 0.00 175.17 177.12 1qk1 h GLU 74 N 2.00 1.01 0.00 2.11 4.81 -1.96 -2.71 114.58 119.84 1qk1 h GLU 74 Ca -0.30 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1qk1 h GLU 74 Cb 1.23 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1qk1 h GLU 74 CO 0.38 0.79 -0.09 0.93 -0.73 0.00 0.00 179.01 180.29 1qk1 h GLU 75 N 0.98 0.00 -0.74 1.92 3.07 -2.01 -3.14 114.58 114.66 1qk1 h GLU 75 Ca 0.24 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.27 1qk1 h GLU 75 Cb 0.10 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.90 1qk1 h GLU 75 CO -0.03 0.09 0.18 1.15 -1.40 0.00 0.00 179.01 179.00 1qk1 h THR 76 N 0.00 0.50 0.00 1.13 2.02 -1.89 -0.15 112.91 114.53 1qk1 h THR 76 Ca -0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1qk1 h THR 76 Cb 0.28 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1qk1 h THR 76 CO 0.01 0.05 -0.01 1.88 0.37 0.00 0.00 175.52 177.82 1qk1 h TYR 77 N 0.27 0.00 0.00 3.16 0.05 -1.73 -1.56 116.97 117.15 1qk1 h TYR 77 Ca 0.42 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.96 1qk1 h TYR 77 Cb 0.73 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.43 1qk1 h TYR 77 CO -0.26 0.01 -1.51 -1.91 -1.05 0.00 0.00 178.16 173.44 1qk1 n GLU 78 N -3.22 0.55 -0.30 4.88 2.13 -0.18 -3.31 120.64 121.18 1qk1 n GLU 78 Ca -0.02 0.42 0.03 0.00 0.66 0.00 0.00 57.16 58.26 1qk1 n GLU 78 Cb 0.14 -1.62 0.18 0.00 0.27 0.00 0.00 31.44 30.41 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 0.91 -0.62 6.31 2.07 -1.22 -2.44 116.25 120.26 1qk1 h VAL 79 Ca -0.36 -0.28 -0.27 0.00 0.82 0.00 0.00 66.70 66.61 1qk1 h VAL 79 Cb 1.23 0.02 -0.16 0.00 -1.52 0.00 0.00 31.29 30.86 1qk1 h VAL 79 CO -0.22 0.15 0.23 0.49 0.02 0.00 0.00 177.57 178.24 1qk1 n PHE 80 N -4.72 1.97 -0.18 1.57 3.72 -0.59 -4.71 117.46 114.51 1qk1 n PHE 80 Ca 0.14 -1.50 0.19 0.00 -0.05 0.00 0.00 57.45 56.23 1qk1 n PHE 80 Cb 0.28 -0.65 0.55 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.47 2.28 0.00 4.37 0.00 -1.43 -1.15 119.26 124.80 1qk1 h ALA 81 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1qk1 h ALA 81 Cb 2.15 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.92 1qk1 h ALA 81 CO 0.66 -0.52 -0.00 -0.44 0.00 0.00 0.00 179.25 178.95 1qk1 h ASP 82 N 0.32 0.00 0.00 0.00 3.32 -1.85 -0.57 116.42 117.64 1qk1 h ASP 82 Ca 0.41 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.11 1qk1 h ASP 82 Cb 1.10 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 1qk1 h ASP 82 CO -0.12 0.00 -2.21 -0.11 -1.72 0.00 0.00 179.24 175.08 1qk1 n LEU 83 N -3.11 2.27 -0.17 1.55 0.00 -0.51 -4.58 117.00 112.45 1qk1 n LEU 83 Ca -0.03 0.08 -0.08 0.00 0.00 0.00 0.00 56.01 55.98 1qk1 n LEU 83 Cb 0.07 -0.69 0.01 0.00 0.00 0.00 0.00 43.42 42.81 1qk1 n LEU 83 CO 0.20 0.66 0.97 -0.26 0.00 0.00 0.00 177.39 178.96 1qk1 h PHE 84 N -0.40 0.72 -0.12 1.96 0.04 -1.19 -2.98 116.94 114.97 1qk1 h PHE 84 Ca -0.52 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.25 1qk1 h PHE 84 Cb 1.61 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 39.49 1qk1 h PHE 84 CO -0.02 0.59 -0.12 -0.44 -0.60 0.00 0.00 178.31 177.71 1qk1 h ASP 85 N 0.65 -0.39 -0.76 2.17 3.32 -1.36 0.31 116.42 120.37 1qk1 h ASP 85 Ca 0.17 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1qk1 h ASP 85 Cb 0.15 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1qk1 h ASP 85 CO -0.02 -0.17 0.50 -0.65 -1.72 0.00 0.00 179.24 177.19 1qk1 h PRO 86 N -0.15 0.95 -0.19 3.56 0.11 -1.78 0.15 132.00 134.65 1qk1 h PRO 86 Ca 0.09 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1qk1 h PRO 86 Cb 0.28 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 1qk1 h PRO 86 CO -0.21 0.63 -0.14 0.28 -0.21 0.00 0.00 178.00 178.35 1qk1 h VAL 87 N 0.98 1.32 -0.72 3.15 2.07 -1.24 -1.97 116.25 119.84 1qk1 h VAL 87 Ca 0.29 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1qk1 h VAL 87 Cb -0.05 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1qk1 h VAL 87 CO -0.07 0.38 0.47 0.40 0.02 0.00 0.00 177.57 178.77 1qk1 h ILE 88 N 0.09 1.19 -0.78 4.57 2.04 0.08 -1.20 117.51 123.50 1qk1 h ILE 88 Ca 0.04 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1qk1 h ILE 88 Cb 0.66 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1qk1 h ILE 88 CO 0.04 0.19 0.37 -0.61 0.00 0.00 0.00 178.15 178.13 1qk1 h GLN 89 N 0.98 1.14 -0.29 2.37 4.15 -0.62 -1.08 115.11 121.76 1qk1 h GLN 89 Ca 0.26 -0.17 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 1qk1 h GLN 89 Cb -0.09 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.39 1qk1 h GLN 89 CO -0.06 0.89 -0.23 1.49 -1.93 0.00 0.00 178.83 178.99 1qk1 h GLU 90 N 1.11 0.66 -0.21 1.69 4.81 -1.00 -1.50 114.58 120.15 1qk1 h GLU 90 Ca 0.27 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1qk1 h GLU 90 Cb 0.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1qk1 h GLU 90 CO -0.03 0.93 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.84 1qk1 h ARG 91 N 0.40 0.40 -0.86 1.92 9.65 -1.07 -2.86 114.38 121.97 1qk1 h ARG 91 Ca 0.05 -0.15 -0.59 0.00 -1.10 0.00 0.00 59.98 58.20 1qk1 h ARG 91 Cb 0.78 -0.03 -0.33 0.00 -1.39 0.00 0.00 29.97 29.01 1qk1 h ARG 91 CO 0.06 0.63 0.15 0.72 2.80 0.00 0.00 179.97 184.33 1qk1 n HIS 92 N -4.13 2.89 -0.57 2.20 8.25 -0.42 -4.99 115.22 118.45 1qk1 n HIS 92 Ca -0.01 -2.58 0.00 0.00 -0.26 0.00 0.00 57.72 54.87 1qk1 n HIS 92 Cb 0.39 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.56 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 -0.86 0.00 0.00 0.41 6.94 -1.08 -2.45 115.26 118.22 1qk1 n ASN 93 Ca 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.10 1qk1 n ASN 93 Cb 0.84 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.26 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 0.26 2.83 3.68 4.83 0.00 -0.58 -5.05 105.19 111.16 1qk1 n GLY 94 Ca 0.00 -0.60 -0.50 0.00 0.00 0.00 0.00 46.02 44.92 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 2.23 -3.70 1.61 9.36 -1.02 -4.92 117.16 120.71 1qk1 n TYR 95 Ca 0.00 0.17 -0.38 0.00 3.32 0.00 0.00 57.90 61.00 1qk1 n TYR 95 Cb 0.00 -2.60 -0.11 0.00 -0.63 0.00 0.00 39.34 36.00 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 3.53 5.41 0.00 2.98 2.15 -1.26 -3.78 116.67 125.70 1qk1 s ASP 96 Ca 0.92 -1.52 0.06 0.00 0.43 0.00 0.00 52.55 52.44 1qk1 s ASP 96 Cb -0.79 -1.90 0.26 0.00 -0.30 0.00 0.00 42.92 40.19 1qk1 s ASP 96 CO 0.53 -0.47 1.13 -0.81 -0.17 0.00 0.00 175.17 175.39 1qk1 n PRO 97 N 4.79 0.02 0.12 4.34 -0.04 -1.26 -0.83 135.00 142.15 1qk1 n PRO 97 Ca -0.09 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1qk1 n PRO 97 Cb 0.43 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1qk1 h ARG 98 CO 0.00 0.09 0.00 0.25 -1.07 0.00 0.00 179.97 179.24 1qk1 n THR 99 N -2.85 0.00 -3.97 2.04 -2.24 -0.92 -5.10 114.28 101.24 1qk1 n THR 99 Ca -0.00 -0.19 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 1qk1 n THR 99 Cb 0.61 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 69.84 1qk1 n THR 99 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1qk1 s MET 100 N -0.35 2.44 0.07 -0.78 -1.94 -0.01 -5.06 119.30 113.67 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 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.58 1qk1 s MET 100 CO 0.00 0.03 -0.16 0.15 -0.01 0.00 0.00 175.02 175.04 1qk1 s LYS 101 N -3.92 0.93 -0.14 2.03 1.02 -1.26 -4.66 119.74 113.74 1qk1 s LYS 101 Ca 0.40 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.41 1qk1 s LYS 101 Cb -0.02 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 1qk1 s LYS 101 CO 0.24 0.23 0.05 -1.58 -0.92 0.00 0.00 175.35 173.38 1qk1 s HIS 102 N -1.10 3.29 -0.09 3.18 5.65 -0.03 -4.87 115.29 121.31 1qk1 s HIS 102 Ca 0.01 0.19 0.02 0.00 0.25 0.00 0.00 55.06 55.53 1qk1 s HIS 102 Cb -0.09 -1.95 -0.02 0.00 -1.18 0.00 0.00 32.58 29.34 1qk1 s HIS 102 CO 0.02 0.38 -0.15 -0.08 -0.65 0.00 0.00 174.74 174.26 1qk1 s THR 103 N -0.35 2.91 -0.07 0.89 -1.32 -1.26 -4.78 115.64 111.65 1qk1 s THR 103 Ca 0.09 -0.74 -0.12 0.00 -1.21 0.00 0.00 61.69 59.71 1qk1 s THR 103 Cb -0.12 -2.18 -0.05 0.00 -1.51 0.00 0.00 72.50 68.65 1qk1 s THR 103 CO 0.02 0.55 0.30 -0.89 -2.21 0.00 0.00 174.62 172.39 1qk1 s THR 104 N -0.06 5.24 -0.25 5.08 2.01 -1.26 -3.82 115.64 122.58 1qk1 s THR 104 Ca -0.03 0.58 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 1qk1 s THR 104 Cb -0.14 -3.59 0.13 0.00 0.01 0.00 0.00 72.50 68.90 1qk1 s THR 104 CO 0.04 0.55 0.30 -0.62 -0.69 0.00 0.00 174.62 174.20 1qk1 s ASP 105 N -0.72 1.12 -0.40 3.53 -1.08 -1.26 -4.97 116.67 112.89 1qk1 s ASP 105 Ca 0.19 -0.33 0.05 0.00 -0.52 0.00 0.00 52.55 51.95 1qk1 s ASP 105 Cb -0.14 0.68 0.49 0.00 -1.46 0.00 0.00 42.92 42.48 1qk1 s ASP 105 CO 0.08 -0.35 1.55 0.18 0.52 0.00 0.00 175.17 177.16 1qk1 n LEU 106 N 5.33 5.45 -4.39 -1.34 4.77 -1.26 -2.94 117.00 122.62 1qk1 n LEU 106 Ca -0.03 -4.21 -0.45 0.00 -0.03 0.00 0.00 56.01 51.28 1qk1 n LEU 106 Cb 0.48 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1qk1 n LEU 106 CO 0.04 1.57 0.70 -0.62 -1.33 0.00 0.00 177.39 177.75 1qk1 s ASP 107 N -2.62 6.67 0.66 -1.43 -1.08 -1.26 -4.85 116.67 112.76 1qk1 s ASP 107 Ca 0.53 -2.31 0.42 0.00 -0.52 0.00 0.00 52.55 50.67 1qk1 s ASP 107 Cb 0.44 -2.31 2.31 0.00 -1.46 0.00 0.00 42.92 41.90 1qk1 s ASP 107 CO 0.01 -0.84 2.33 0.00 0.52 0.00 0.00 175.17 177.20 1qk1 h ALA 108 N 8.37 1.10 0.00 3.66 0.00 -1.91 -2.30 119.26 128.19 1qk1 h ALA 108 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qk1 h ALA 108 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1qk1 h ALA 108 CO 0.94 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 179.04 1qk1 n SER 109 N -3.19 0.54 -0.05 0.00 3.41 -1.26 -1.92 113.62 111.15 1qk1 n SER 109 Ca -0.03 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.39 1qk1 n SER 109 Cb 0.09 -0.77 0.60 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.13 0.41 -2.60 4.33 5.02 -0.86 -4.84 118.16 117.49 1qk1 n LYS 110 Ca 0.01 -0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 1qk1 n LYS 110 Cb 0.15 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1qk1 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1qk1 s ILE 111 N -2.66 3.99 0.06 -0.18 -1.09 -0.81 -5.04 121.20 115.47 1qk1 s ILE 111 Ca 0.24 1.78 0.07 0.00 -2.23 0.00 0.00 60.65 60.51 1qk1 s ILE 111 Cb 0.20 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1qk1 s ILE 111 CO 0.51 0.33 -0.16 -0.13 -1.23 0.00 0.00 174.94 174.27 1qk1 s ARG 112 N -0.56 2.09 4.28 2.79 0.52 -1.26 -4.99 118.95 121.81 1qk1 s ARG 112 Ca 0.47 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1qk1 s ARG 112 Cb -0.28 -2.23 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1qk1 s ARG 112 CO 0.34 0.53 0.00 0.45 0.02 0.00 0.00 175.30 176.64 1qk1 n SER 113 N 1.32 0.00 0.00 0.23 2.88 -1.26 -4.93 113.62 111.86 1qk1 n SER 113 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1qk1 n SER 113 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 1.20 2.91 0.46 0.00 -1.26 -4.74 105.19 103.76 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 0.57 1.61 6.14 -1.26 -1.50 117.35 123.88 1qk1 s TYR 115 Ca 0.00 -2.54 -0.16 0.00 0.64 0.00 0.00 57.07 55.01 1qk1 s TYR 115 Cb 0.00 -2.47 -0.05 0.00 0.42 0.00 0.00 41.96 39.86 1qk1 s TYR 115 CO 0.00 -0.92 1.04 -0.06 0.64 0.00 0.00 175.55 176.25 1qk1 s PHE 116 N 1.13 3.12 -0.32 4.97 0.08 0.52 -4.96 117.98 122.53 1qk1 s PHE 116 Ca 0.11 1.50 -0.28 0.00 0.12 0.00 0.00 56.93 58.38 1qk1 s PHE 116 Cb -0.19 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 1qk1 s PHE 116 CO -0.14 -0.89 1.86 0.34 -0.10 0.00 0.00 175.22 176.28 1qk1 s ASP 117 N -2.83 5.83 0.00 1.36 -1.08 -1.26 -4.56 116.67 114.12 1qk1 s ASP 117 Ca 0.62 1.37 0.04 0.00 -0.52 0.00 0.00 52.55 54.07 1qk1 s ASP 117 Cb -0.14 -2.52 0.27 0.00 -1.46 0.00 0.00 42.92 39.06 1qk1 s ASP 117 CO 0.35 -1.75 0.66 -0.62 0.52 0.00 0.00 175.17 174.33 1qk1 n GLU 118 N 8.48 0.37 -0.19 4.34 1.02 -1.26 -2.00 120.64 131.40 1qk1 n GLU 118 Ca 0.24 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 1qk1 n GLU 118 Cb 0.47 -1.19 0.21 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.69 2.48 0.00 3.49 1.85 -1.26 -4.30 116.66 118.23 1qk1 n ARG 119 Ca 0.03 -2.27 0.00 0.00 -1.00 0.00 0.00 57.85 54.61 1qk1 n ARG 119 Cb 0.02 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 1qk1 n ARG 119 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1qk1 n TYR 120 N 1.46 0.00 -3.24 2.89 4.01 -0.85 -4.92 117.16 116.51 1qk1 n TYR 120 Ca 0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 1qk1 n TYR 120 Cb 0.60 0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.57 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 5.00 0.05 -0.72 1.01 -0.98 -0.51 120.40 122.37 1qk1 s VAL 121 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 1qk1 s VAL 121 Cb 0.00 -4.02 -0.31 0.00 0.00 0.00 0.00 36.38 32.05 1qk1 s VAL 121 CO 0.00 -0.33 1.08 -0.07 0.00 0.00 0.00 175.10 175.79 1qk1 h LEU 122 N 9.18 0.77 -7.31 3.92 3.38 -0.70 -3.39 115.31 121.16 1qk1 h LEU 122 Ca -0.27 -0.76 -0.06 0.00 0.09 0.00 0.00 57.88 56.88 1qk1 h LEU 122 Cb 1.12 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.48 1qk1 h LEU 122 CO 0.80 1.58 -0.03 -0.94 0.09 0.00 0.00 178.44 179.94 1qk1 s SER 123 N -7.42 -0.32 -0.01 -0.43 1.04 -1.17 0.04 113.70 105.42 1qk1 s SER 123 Ca -0.08 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.27 1qk1 s SER 123 Cb 0.05 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1qk1 s SER 123 CO 0.93 -0.80 -0.14 -0.44 0.98 0.00 0.00 173.24 173.77 1qk1 s SER 124 N -2.47 1.65 -0.03 7.02 0.01 -0.55 -1.66 113.70 117.66 1qk1 s SER 124 Ca -0.01 -0.26 -0.21 0.00 1.31 0.00 0.00 55.95 56.79 1qk1 s SER 124 Cb 0.01 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.05 1qk1 s SER 124 CO -0.08 0.16 0.45 0.00 0.41 0.00 0.00 173.24 174.18 1qk1 s ARG 125 N -0.26 0.80 -0.08 12.44 1.70 -0.46 -1.94 118.95 131.15 1qk1 s ARG 125 Ca 0.04 0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.32 1qk1 s ARG 125 Cb -0.06 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1qk1 s ARG 125 CO -0.00 -0.23 -0.10 0.08 -1.08 0.00 0.00 175.30 173.97 1qk1 s VAL 126 N -1.21 1.03 0.11 4.99 1.01 -0.13 -0.94 120.40 125.28 1qk1 s VAL 126 Ca -0.12 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1qk1 s VAL 126 Cb -0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1qk1 s VAL 126 CO 0.06 0.34 -0.19 -0.60 0.00 0.00 0.00 175.10 174.71 1qk1 s ARG 127 N 1.02 1.12 0.35 2.72 3.52 -0.32 -1.31 118.95 126.06 1qk1 s ARG 127 Ca -0.08 -1.20 -0.11 0.00 -0.13 0.00 0.00 55.73 54.21 1qk1 s ARG 127 Cb -0.15 -1.28 0.04 0.00 -1.56 0.00 0.00 34.95 32.01 1qk1 s ARG 127 CO -0.00 0.28 0.66 -2.37 -0.81 0.00 0.00 175.30 173.06 1qk1 n THR 128 N 0.89 0.00 -4.07 4.11 5.66 -0.45 -1.32 114.28 119.09 1qk1 n THR 128 Ca -0.18 -1.07 -0.08 0.00 -3.05 0.00 0.00 64.05 59.67 1qk1 n THR 128 Cb 0.55 0.93 -0.10 0.00 -1.55 0.00 0.00 70.33 70.15 1qk1 n THR 128 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1qk1 s GLY 129 N -2.92 0.46 -0.02 1.09 0.00 -1.26 -0.49 107.32 104.18 1qk1 s GLY 129 Ca 0.17 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 1qk1 s GLY 129 CO 0.13 -1.17 0.09 0.50 0.00 0.00 0.00 173.10 172.66 1qk1 s ARG 130 N -3.25 0.24 -0.02 2.90 1.81 -0.87 -4.94 118.95 114.82 1qk1 s ARG 130 Ca 0.02 -0.11 0.06 0.00 -1.72 0.00 0.00 55.73 53.98 1qk1 s ARG 130 Cb 0.03 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.61 1qk1 s ARG 130 CO -0.07 -0.05 -0.20 -1.12 -0.68 0.00 0.00 175.30 173.18 1qk1 s SER 131 N -0.54 3.56 -0.29 0.23 0.01 -1.26 -2.48 113.70 112.94 1qk1 s SER 131 Ca -0.06 -0.36 -0.23 0.00 1.31 0.00 0.00 55.95 56.61 1qk1 s SER 131 Cb -0.04 -0.58 -0.00 0.00 0.21 0.00 0.00 66.02 65.60 1qk1 s SER 131 CO 0.00 0.32 0.77 -0.63 0.41 0.00 0.00 173.24 174.11 1qk1 s ILE 132 N -0.72 4.83 0.36 1.44 -1.09 -1.26 -0.49 121.20 124.27 1qk1 s ILE 132 Ca 0.11 1.21 -0.28 0.00 -2.23 0.00 0.00 60.65 59.46 1qk1 s ILE 132 Cb -0.10 -4.11 -0.12 0.00 -1.58 0.00 0.00 42.46 36.55 1qk1 s ILE 132 CO 0.01 -0.19 1.35 -1.14 -1.23 0.00 0.00 174.94 173.74 1qk1 n ARG 133 N 6.10 2.30 -0.10 2.79 0.63 0.23 -2.90 116.66 125.71 1qk1 n ARG 133 Ca 0.03 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1qk1 n ARG 133 Cb 0.48 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 30.95 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 0.67 0.90 3.27 5.14 0.00 -1.26 -4.74 105.19 109.17 1qk1 n GLY 134 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1qk1 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qk1 s LEU 135 N 0.00 2.05 0.75 0.99 1.43 -1.14 -5.12 118.68 117.63 1qk1 s LEU 135 Ca 0.00 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 1qk1 s LEU 135 Cb 0.00 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 45.05 1qk1 s LEU 135 CO 0.00 0.29 1.15 -0.44 0.23 0.00 0.00 176.35 177.59 1qk1 s SER 136 N -0.55 4.22 0.74 2.29 0.01 -1.26 -4.81 113.70 114.34 1qk1 s SER 136 Ca 0.09 2.16 -0.11 0.00 1.31 0.00 0.00 55.95 59.39 1qk1 s SER 136 Cb -0.09 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.61 1qk1 s SER 136 CO -0.01 -2.23 1.10 -0.76 0.41 0.00 0.00 173.24 171.75 1qk1 s LEU 137 N -5.47 2.79 0.43 2.44 1.43 -0.04 -4.45 118.68 115.82 1qk1 s LEU 137 Ca 0.69 1.16 0.28 0.00 -1.03 0.00 0.00 54.13 55.23 1qk1 s LEU 137 Cb -0.24 -3.89 1.37 0.00 0.03 0.00 0.00 46.19 43.47 1qk1 s LEU 137 CO 0.48 -1.55 1.65 -0.65 0.23 0.00 0.00 176.35 176.52 1qk1 h PRO 138 N -0.80 0.13 0.00 1.29 0.11 -1.88 -0.16 132.00 130.69 1qk1 h PRO 138 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1qk1 h PRO 138 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1qk1 h PRO 138 CO 0.63 0.09 -0.32 -1.35 -0.21 0.00 0.00 178.00 176.83 1qk1 h PRO 139 N 0.13 0.00 0.00 1.05 0.11 -1.81 -3.37 132.00 128.11 1qk1 h PRO 139 Ca 0.78 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.89 1qk1 h PRO 139 Cb 2.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.51 1qk1 h PRO 139 CO -0.39 0.32 -0.58 0.00 -0.21 0.00 0.00 178.00 177.14 1qk1 n ALA 140 N -2.37 2.04 -1.75 -0.75 0.00 -0.23 -4.74 120.51 112.70 1qk1 n ALA 140 Ca -0.01 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1qk1 n ALA 140 Cb 0.41 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.24 2.22 0.23 0.00 -4.23 -1.26 -4.86 115.64 106.50 1qk1 s THR 142 Ca 0.67 -0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.77 1qk1 s THR 142 Cb -0.43 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 70.74 1qk1 s THR 142 CO 0.53 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 -0.59 3.99 3.08 -1.99 -1.13 114.38 118.22 1qk1 h ARG 143 Ca -0.42 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 1qk1 h ARG 143 Cb 1.29 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1qk1 h ARG 143 CO 0.51 0.79 0.18 0.00 -1.07 0.00 0.00 179.97 180.38 1qk1 h ALA 144 N 1.33 0.77 -0.48 0.04 0.00 -1.98 -0.61 119.26 118.32 1qk1 h ALA 144 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qk1 h ALA 144 Cb -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1qk1 h ALA 144 CO -0.07 0.44 0.25 0.93 0.00 0.00 0.00 179.25 180.80 1qk1 h GLU 145 N 0.84 0.68 -0.72 0.00 5.08 -1.82 -0.85 114.58 117.80 1qk1 h GLU 145 Ca 0.19 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1qk1 h GLU 145 Cb 0.29 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1qk1 h GLU 145 CO -0.00 0.55 0.31 -0.09 -1.00 0.00 0.00 179.01 178.78 1qk1 h ARG 146 N 0.64 1.06 0.00 2.33 2.43 -1.00 -1.73 114.38 118.10 1qk1 h ARG 146 Ca 0.17 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1qk1 h ARG 146 Cb 0.08 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1qk1 h ARG 146 CO -0.02 0.84 -0.40 0.00 -1.51 0.00 0.00 179.97 178.88 1qk1 h ARG 147 N 1.04 0.00 -0.26 0.20 3.08 -0.77 -2.15 114.38 115.52 1qk1 h ARG 147 Ca 0.25 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.16 1qk1 h ARG 147 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1qk1 h ARG 147 CO -0.02 0.40 -0.37 1.49 -1.07 0.00 0.00 179.97 180.40 1qk1 h GLU 148 N 0.00 0.70 -0.47 0.04 4.57 -0.47 -1.11 114.58 117.85 1qk1 h GLU 148 Ca -0.00 -0.41 0.02 0.00 -1.18 0.00 0.00 59.36 57.78 1qk1 h GLU 148 Cb 0.79 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 1qk1 h GLU 148 CO 0.05 1.03 0.28 0.28 -1.18 0.00 0.00 179.01 179.48 1qk1 h VAL 149 N 0.43 1.06 -0.44 0.32 2.07 -1.11 -1.25 116.25 117.32 1qk1 h VAL 149 Ca 0.03 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1qk1 h VAL 149 Cb 0.96 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1qk1 h VAL 149 CO 0.09 0.10 0.08 -0.08 0.02 0.00 0.00 177.57 177.78 1qk1 h GLU 150 N 0.56 0.73 -0.90 1.57 4.81 -1.28 -1.90 114.58 118.16 1qk1 h GLU 150 Ca 0.19 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1qk1 h GLU 150 Cb 0.01 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1qk1 h GLU 150 CO -0.08 0.75 0.52 0.00 -0.73 0.00 0.00 179.01 179.47 1qk1 h ARG 151 N 0.59 1.24 -0.31 1.92 3.08 -0.87 -1.31 114.38 118.73 1qk1 h ARG 151 Ca 0.13 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1qk1 h ARG 151 Cb 0.37 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1qk1 h ARG 151 CO 0.01 0.89 -0.09 0.28 -1.07 0.00 0.00 179.97 179.99 1qk1 h VAL 152 N 1.26 1.28 -0.13 2.04 2.07 -1.13 -2.55 116.25 119.09 1qk1 h VAL 152 Ca 0.32 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 1qk1 h VAL 152 Cb -0.01 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1qk1 h VAL 152 CO -0.06 0.37 -0.21 0.58 0.02 0.00 0.00 177.57 178.27 1qk1 h VAL 153 N 0.38 1.37 -0.40 2.57 2.07 -1.20 -2.80 116.25 118.24 1qk1 h VAL 153 Ca 0.08 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1qk1 h VAL 153 Cb 0.59 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1qk1 h VAL 153 CO 0.03 0.42 0.23 0.58 0.02 0.00 0.00 177.57 178.86 1qk1 h VAL 154 N -0.02 1.12 -0.08 2.57 2.07 -1.30 0.47 116.25 121.08 1qk1 h VAL 154 Ca 0.01 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 1qk1 h VAL 154 Cb 0.78 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1qk1 h VAL 154 CO 0.05 0.12 -0.61 0.44 0.02 0.00 0.00 177.57 177.59 1qk1 h ASP 155 N 0.54 0.30 -0.09 0.57 3.32 -1.43 -2.38 116.42 117.26 1qk1 h ASP 155 Ca 0.14 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1qk1 h ASP 155 Cb -0.01 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1qk1 h ASP 155 CO -0.03 0.84 -0.14 0.00 -1.72 0.00 0.00 179.24 178.19 1qk1 h ALA 156 N 1.16 0.13 -0.67 3.45 0.00 -1.03 -3.20 119.26 119.11 1qk1 h ALA 156 Ca -0.01 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1qk1 h ALA 156 Cb 1.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1qk1 h ALA 156 CO 0.10 0.03 0.44 -0.07 0.00 0.00 0.00 179.25 179.74 1qk1 h LEU 157 N -0.20 0.65 0.00 0.00 3.38 -0.90 0.19 115.31 118.43 1qk1 h LEU 157 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qk1 h LEU 157 Cb 0.71 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1qk1 h LEU 157 CO 0.03 0.44 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 1qk1 n SER 158 N -4.47 0.00 -0.49 -0.43 3.41 -0.90 -1.70 113.62 109.04 1qk1 n SER 158 Ca 0.09 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 1qk1 n SER 158 Cb 0.17 -0.37 0.20 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.16 -0.01 3.77 5.00 0.00 0.06 -4.93 105.19 108.91 1qk1 n GLY 159 Ca 0.05 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1qk1 n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qk1 s LEU 160 N -2.34 4.34 0.40 0.99 1.43 -0.69 -5.05 118.68 117.76 1qk1 s LEU 160 Ca 0.24 2.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.57 1qk1 s LEU 160 Cb 0.19 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1qk1 s LEU 160 CO 0.48 -0.35 0.13 -0.54 0.23 0.00 0.00 176.35 176.30 1qk1 s LYS 161 N -1.98 1.89 7.46 1.70 1.02 -1.26 -4.23 119.74 124.34 1qk1 s LYS 161 Ca 0.51 -2.14 0.00 0.00 0.02 0.00 0.00 55.97 54.36 1qk1 s LYS 161 Cb -0.28 -0.59 0.00 0.00 -0.52 0.00 0.00 37.83 36.44 1qk1 s LYS 161 CO 0.35 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1qk1 n GLY 162 N -0.87 2.72 0.00 -3.33 0.00 -1.26 -2.09 105.19 100.36 1qk1 n GLY 162 Ca -0.05 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.71 1.61 5.75 -1.26 -2.78 116.55 124.75 1qk1 n ASP 163 Ca 0.00 -0.52 0.12 0.00 -0.01 0.00 0.00 54.79 54.38 1qk1 n ASP 163 Cb 0.00 -0.16 0.05 0.00 -1.03 0.00 0.00 41.12 39.98 1qk1 n ASP 163 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1qk1 n LEU 164 N -1.16 2.47 -4.77 -2.12 4.77 -0.89 -4.67 117.00 110.64 1qk1 n LEU 164 Ca 0.18 -0.86 -0.40 0.00 -0.03 0.00 0.00 56.01 54.90 1qk1 n LEU 164 Cb 0.19 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1qk1 n LEU 164 CO 0.21 0.43 0.95 0.00 -1.33 0.00 0.00 177.39 177.65 1qk1 s ALA 165 N -2.25 3.35 0.00 -1.18 0.00 -1.12 -4.60 121.76 115.96 1qk1 s ALA 165 Ca 0.23 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1qk1 s ALA 165 Cb 0.19 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1qk1 s ALA 165 CO 0.44 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1qk1 n GLY 166 N 0.73 3.61 3.04 0.00 0.00 -1.26 -1.01 105.19 110.29 1qk1 n GLY 166 Ca 0.02 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1qk1 n GLY 166 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qk1 s ARG 167 N 0.92 0.52 -0.04 1.61 3.52 -0.78 -4.91 118.95 119.78 1qk1 s ARG 167 Ca 0.00 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 54.99 1qk1 s ARG 167 Cb 0.00 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 1qk1 s ARG 167 CO 0.00 0.07 -0.12 -0.47 -0.81 0.00 0.00 175.30 173.97 1qk1 s TYR 168 N -1.11 2.77 -0.08 5.12 5.04 -1.26 -2.45 117.35 125.39 1qk1 s TYR 168 Ca -0.07 -0.10 0.02 0.00 -2.44 0.00 0.00 57.07 54.48 1qk1 s TYR 168 Cb -0.08 -1.64 0.01 0.00 0.35 0.00 0.00 41.96 40.60 1qk1 s TYR 168 CO 0.00 0.25 -0.15 0.71 -1.34 0.00 0.00 175.55 175.02 1qk1 s TYR 169 N -0.79 1.76 -0.15 4.97 1.51 0.10 -4.98 117.35 119.77 1qk1 s TYR 169 Ca 0.13 -0.71 -0.19 0.00 -1.01 0.00 0.00 57.07 55.28 1qk1 s TYR 169 Cb -0.11 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1qk1 s TYR 169 CO 0.02 -0.35 0.54 1.03 -1.11 0.00 0.00 175.55 175.68 1qk1 s ARG 170 N 0.69 4.29 0.47 -0.62 0.52 -1.26 -0.57 118.95 122.47 1qk1 s ARG 170 Ca -0.13 0.52 0.17 0.00 -0.52 0.00 0.00 55.73 55.76 1qk1 s ARG 170 Cb -0.16 -3.49 1.16 0.00 0.52 0.00 0.00 34.95 32.97 1qk1 s ARG 170 CO 0.03 0.00 2.01 -0.07 0.02 0.00 0.00 175.30 177.30 1qk1 h LEU 171 N 7.28 0.22 -1.01 2.53 3.38 -1.79 -2.10 115.31 123.81 1qk1 h LEU 171 Ca -0.38 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 41.88 1qk1 h LEU 171 CO 0.75 0.13 0.00 0.77 0.09 0.00 0.00 178.44 180.19 1qk1 h SER 172 N 0.24 0.00 0.00 -0.43 4.64 -1.81 -3.22 113.55 112.98 1qk1 h SER 172 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1qk1 h SER 172 Cb 0.55 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 1qk1 h SER 172 CO -0.04 0.00 -0.34 -1.84 -0.87 0.00 0.00 176.83 173.74 1qk1 n GLU 173 N -2.90 0.81 -2.50 4.77 0.28 -0.84 -5.05 120.64 115.21 1qk1 n GLU 173 Ca 0.02 -2.15 -0.41 0.00 -0.16 0.00 0.00 57.16 54.45 1qk1 n GLU 173 Cb 0.34 -1.06 -0.04 0.00 1.43 0.00 0.00 31.44 32.11 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 -1.76 4.53 0.64 3.44 1.75 -0.89 -4.92 119.30 122.09 1qk1 s MET 174 Ca 0.23 1.71 -0.09 0.00 -1.25 0.00 0.00 55.69 56.30 1qk1 s MET 174 Cb 0.22 -3.32 0.00 0.00 2.84 0.00 0.00 34.83 34.58 1qk1 s MET 174 CO -0.02 -0.06 1.00 0.95 -0.65 0.00 0.00 175.02 176.25 1qk1 s THR 175 N 0.34 3.76 0.40 10.11 -4.23 -1.26 -4.86 115.64 119.89 1qk1 s THR 175 Ca 0.53 0.34 0.09 0.00 -1.18 0.00 0.00 61.69 61.46 1qk1 s THR 175 Cb -0.29 -3.53 0.21 0.00 1.34 0.00 0.00 72.50 70.23 1qk1 s THR 175 CO 0.32 -0.64 1.98 -0.33 -0.54 0.00 0.00 174.62 175.42 1qk1 h GLU 176 N -0.40 0.35 0.27 3.99 5.08 -1.98 0.11 114.58 122.00 1qk1 h GLU 176 Ca -0.45 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1qk1 h GLU 176 Cb 1.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1qk1 h GLU 176 CO 0.62 0.35 -0.13 0.00 -1.00 0.00 0.00 179.01 178.86 1qk1 h ALA 177 N 1.70 -0.37 -0.74 3.43 0.00 -2.00 -1.44 119.26 119.85 1qk1 h ALA 177 Ca 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1qk1 h ALA 177 Cb 0.18 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1qk1 h ALA 177 CO 0.00 -0.60 0.49 0.93 0.00 0.00 0.00 179.25 180.06 1qk1 h GLU 178 N -0.57 0.97 -0.76 0.00 5.08 -1.86 -1.55 114.58 115.89 1qk1 h GLU 178 Ca -0.04 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1qk1 h GLU 178 Cb 0.41 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1qk1 h GLU 178 CO 0.06 0.64 0.50 0.37 -1.00 0.00 0.00 179.01 179.59 1qk1 h GLN 179 N 1.00 0.94 -0.12 2.33 4.15 -0.70 -1.42 115.11 121.28 1qk1 h GLN 179 Ca 0.27 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.53 1qk1 h GLN 179 Cb -0.11 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.37 1qk1 h GLN 179 CO -0.06 0.62 -0.35 0.37 -1.93 0.00 0.00 178.83 177.48 1qk1 h GLN 180 N 0.97 0.45 -0.42 1.69 5.75 -0.66 -2.76 115.11 120.13 1qk1 h GLN 180 Ca 0.30 -0.32 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1qk1 h GLN 180 Cb -0.00 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 1qk1 h GLN 180 CO -0.08 0.94 0.15 0.37 -2.65 0.00 0.00 178.83 177.56 1qk1 h GLN 181 N 0.05 0.31 -0.17 1.69 5.75 -0.89 -1.39 115.11 120.46 1qk1 h GLN 181 Ca -0.01 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1qk1 h GLN 181 Cb 0.96 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 1qk1 h GLN 181 CO 0.07 0.21 -0.05 -0.07 -2.65 0.00 0.00 178.83 176.34 1qk1 h LEU 182 N 0.32 0.23 -0.41 -2.39 3.38 -1.30 -1.51 115.31 113.62 1qk1 h LEU 182 Ca 0.19 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1qk1 h LEU 182 Cb 0.18 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1qk1 h LEU 182 CO -0.19 0.32 -0.52 0.40 0.09 0.00 0.00 178.44 178.53 1qk1 h ILE 183 N 0.24 1.29 -0.47 1.22 2.04 -1.05 -0.12 117.51 120.66 1qk1 h ILE 183 Ca 0.06 -1.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.09 1qk1 h ILE 183 Cb 0.25 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1qk1 h ILE 183 CO 0.01 0.56 -0.08 0.44 0.00 0.00 0.00 178.15 179.08 1qk1 h ASP 184 N 0.58 0.83 0.98 1.72 3.32 -0.66 -2.27 116.42 120.92 1qk1 h ASP 184 Ca 0.02 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1qk1 h ASP 184 Cb 1.10 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1qk1 h ASP 184 CO 0.11 0.93 0.00 0.47 -1.72 0.00 0.00 179.24 179.03 1qk1 n ASP 185 N -4.17 0.18 -2.25 6.45 8.00 -0.63 -4.91 116.55 119.22 1qk1 n ASP 185 Ca 0.02 0.52 -0.13 0.00 0.71 0.00 0.00 54.79 55.91 1qk1 n ASP 185 Cb 0.35 -0.57 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 -1.68 -1.61 0.16 1.24 8.25 -0.80 -4.95 115.22 115.84 1qk1 n HIS 186 Ca 0.06 0.57 0.05 0.00 -0.26 0.00 0.00 57.72 58.14 1qk1 n HIS 186 Cb 0.32 -3.31 -0.08 0.00 1.12 0.00 0.00 29.99 28.04 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 -3.85 0.00 -2.32 4.41 3.72 -0.13 -5.02 117.46 114.28 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 -0.17 -0.02 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 -3.37 3.60 0.05 4.37 2.96 -1.14 -5.02 118.68 120.13 1qk1 s LEU 188 Ca -0.01 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 1qk1 s LEU 188 Cb 0.07 -4.51 -0.03 0.00 0.50 0.00 0.00 46.19 42.22 1qk1 s LEU 188 CO 0.46 -0.72 -0.04 0.72 -1.32 0.00 0.00 176.35 175.44 1qk1 s PHE 189 N -2.58 0.51 0.25 5.38 -0.12 -1.26 -5.00 117.98 115.15 1qk1 s PHE 189 Ca 0.60 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.70 1qk1 s PHE 189 Cb -0.11 -0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 1qk1 s PHE 189 CO 0.32 -0.25 0.05 -0.40 -0.05 0.00 0.00 175.22 174.90 1qk1 n ASP 190 N 0.75 1.70 -4.62 1.98 5.68 -1.26 -5.09 116.55 115.68 1qk1 n ASP 190 Ca -0.18 -2.24 -0.50 0.00 -0.50 0.00 0.00 54.79 51.36 1qk1 n ASP 190 Cb 0.58 0.45 -0.05 0.00 -1.14 0.00 0.00 41.12 40.96 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 -0.59 1.50 -1.81 0.11 4.81 -1.26 -4.87 118.16 116.06 1qk1 n LYS 191 Ca -0.06 0.54 -0.41 0.00 -0.87 0.00 0.00 58.31 57.51 1qk1 n LYS 191 Cb 0.35 -2.23 -0.00 0.00 0.02 0.00 0.00 35.03 33.17 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 0.82 4.09 -0.02 1.64 0.02 -1.26 -4.91 135.00 135.37 1qk1 s PRO 192 Ca 0.83 2.56 0.06 0.00 0.02 0.00 0.00 61.00 64.47 1qk1 s PRO 192 Cb -0.86 -2.95 -0.08 0.00 0.02 0.00 0.00 34.50 30.62 1qk1 s PRO 192 CO 0.45 -0.55 0.09 1.33 -0.33 0.00 0.00 177.00 177.99 1qk1 n VAL 193 N 0.42 0.13 -1.67 3.83 0.24 -1.26 -4.84 118.33 115.18 1qk1 n VAL 193 Ca 0.01 -0.17 -0.47 0.00 -2.04 0.00 0.00 64.34 61.67 1qk1 n VAL 193 Cb 0.39 -0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.65 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 -1.88 3.25 0.20 -1.34 2.88 -1.26 -4.84 113.62 110.62 1qk1 n SER 194 Ca -0.04 1.03 0.14 0.00 -1.33 0.00 0.00 58.87 58.67 1qk1 n SER 194 Cb 0.34 -1.40 0.65 0.00 -0.75 0.00 0.00 64.21 63.06 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 7.52 0.00 0.00 -1.46 0.13 -1.99 -1.02 132.00 135.18 1qk1 h PRO 195 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1qk1 h PRO 195 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1qk1 h PRO 195 CO 0.92 0.00 -0.38 -0.07 -0.23 0.00 0.00 178.00 178.24 1qk1 h LEU 196 N 0.00 0.00 0.09 1.56 3.38 -1.93 -2.10 115.31 116.32 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 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1qk1 h LEU 196 CO 0.00 0.38 -1.81 0.18 0.09 0.00 0.00 178.44 177.28 1qk1 n LEU 197 N -4.01 2.43 0.04 1.67 4.32 -0.46 -3.92 117.00 117.07 1qk1 n LEU 197 Ca -0.02 0.27 -0.04 0.00 -0.02 0.00 0.00 56.01 56.20 1qk1 n LEU 197 Cb 0.42 -1.08 0.19 0.00 -1.62 0.00 0.00 43.42 41.34 1qk1 n LEU 197 CO 0.38 0.70 0.67 0.71 -1.22 0.00 0.00 177.39 178.64 1qk1 h THR 198 N -0.23 1.29 0.00 -5.08 1.35 -1.40 -2.14 112.91 106.70 1qk1 h THR 198 Ca -0.41 -1.42 -0.01 0.00 -0.55 0.00 0.00 66.41 64.03 1qk1 h THR 198 Cb 1.83 1.51 -0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1qk1 h THR 198 CO -0.00 0.44 -0.04 0.00 -0.25 0.00 0.00 175.52 175.67 1qk1 h ALA 199 N 1.29 1.03 -0.44 6.62 0.00 -1.57 -1.48 119.26 124.71 1qk1 h ALA 199 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qk1 h ALA 199 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1qk1 h ALA 199 CO 0.06 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1qk1 n ALA 200 N -2.12 2.50 -1.57 0.00 0.00 -0.84 -4.31 120.51 114.17 1qk1 n ALA 200 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 53.44 52.51 1qk1 n ALA 200 Cb 0.28 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 1.14 0.98 0.38 0.00 0.00 -0.56 -4.43 105.19 102.70 1qk1 n GLY 201 Ca 0.15 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.53 1.49 -0.01 1.61 2.00 -0.99 -3.67 117.12 115.01 1qk1 n MET 202 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 57.70 56.83 1qk1 n MET 202 Cb 0.45 -1.24 0.01 0.00 0.00 0.00 0.00 33.22 32.44 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 0.05 2.02 -1.75 3.04 0.00 -1.26 -4.90 120.51 117.70 1qk1 n ALA 203 Ca 0.10 -0.99 -0.38 0.00 0.00 0.00 0.00 53.44 52.17 1qk1 n ALA 203 Cb 0.20 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.97 3.22 -1.24 0.00 0.52 -1.24 -3.14 118.95 116.10 1qk1 s ARG 204 Ca 0.01 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 1qk1 s ARG 204 Cb 0.01 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 33.19 1qk1 s ARG 204 CO 0.01 -1.11 0.00 -0.25 0.02 0.00 0.00 175.30 173.97 1qk1 n ASP 205 N -0.95 -5.23 -4.71 0.23 8.00 -1.26 -4.88 116.55 107.76 1qk1 n ASP 205 Ca 0.10 0.29 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 1qk1 n ASP 205 Cb 0.45 -4.01 -0.01 0.00 -0.02 0.00 0.00 41.12 37.53 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 -2.10 2.42 -0.92 1.24 -0.00 -1.19 -0.68 117.44 116.22 1qk1 n TRP 206 Ca -0.12 0.46 0.02 0.00 -0.00 0.00 0.00 57.50 57.86 1qk1 n TRP 206 Cb 0.56 -2.47 0.36 0.00 -0.00 0.00 0.00 31.31 29.77 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 1.22 4.43 -1.66 5.87 -0.04 -1.26 -5.12 135.00 138.44 1qk1 n PRO 207 Ca 0.07 -3.08 -0.55 0.00 -0.04 0.00 0.00 63.50 59.89 1qk1 n PRO 207 Cb 0.35 -2.25 -0.07 0.00 -0.04 0.00 0.00 33.50 31.50 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 0.33 2.11 -0.64 3.54 -0.08 0.14 -1.97 116.55 119.99 1qk1 n ASP 208 Ca 0.33 1.09 -0.08 0.00 -1.51 0.00 0.00 54.79 54.61 1qk1 n ASP 208 Cb 1.27 -1.16 -0.04 0.00 2.34 0.00 0.00 41.12 43.53 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 4.25 -0.13 -2.89 -1.67 0.00 -1.26 -4.98 120.51 113.83 1qk1 n ALA 209 Ca 0.23 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 1qk1 n ALA 209 Cb 0.16 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.47 3.46 0.32 0.00 1.81 -0.83 -4.66 118.95 116.58 1qk1 s ARG 210 Ca 0.00 -0.38 -0.19 0.00 -1.72 0.00 0.00 55.73 53.44 1qk1 s ARG 210 Cb 0.00 -3.04 0.04 0.00 -0.45 0.00 0.00 34.95 31.50 1qk1 s ARG 210 CO 0.00 0.61 0.76 0.20 -0.68 0.00 0.00 175.30 176.19 1qk1 s GLY 211 N -2.37 0.10 -0.02 -3.53 0.00 -1.01 -2.55 107.32 97.93 1qk1 s GLY 211 Ca 0.34 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.61 1qk1 s GLY 211 CO 0.26 -0.13 -0.11 -0.42 0.00 0.00 0.00 173.10 172.69 1qk1 s ILE 212 N -3.21 0.96 -0.01 0.90 1.01 0.26 -1.10 121.20 120.01 1qk1 s ILE 212 Ca 0.13 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1qk1 s ILE 212 Cb -0.05 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.59 1qk1 s ILE 212 CO 0.09 0.29 -0.07 0.86 0.00 0.00 0.00 174.94 176.10 1qk1 s TRP 213 N 0.03 0.69 0.02 3.97 -0.00 -0.45 0.03 118.94 123.23 1qk1 s TRP 213 Ca -0.01 -0.14 -0.10 0.00 -0.00 0.00 0.00 56.10 55.85 1qk1 s TRP 213 Cb -0.08 -0.48 0.01 0.00 -0.00 0.00 0.00 33.47 32.92 1qk1 s TRP 213 CO 0.00 -0.05 0.20 -3.38 -0.00 0.00 0.00 176.95 173.73 1qk1 s HIS 214 N 0.03 0.00 0.80 5.86 -3.43 -1.02 -0.20 115.29 117.33 1qk1 s HIS 214 Ca -0.00 -0.12 -0.11 0.00 -0.80 0.00 0.00 55.06 54.03 1qk1 s HIS 214 Cb -0.05 -0.01 0.07 0.00 -1.43 0.00 0.00 32.58 31.16 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 -1.68 4.47 0.26 7.38 4.22 -0.81 -1.87 114.94 126.91 1qk1 s ASN 215 Ca -0.10 1.32 -0.04 0.00 -2.14 0.00 0.00 52.86 51.90 1qk1 s ASN 215 Cb -0.04 -2.05 0.35 0.00 1.28 0.00 0.00 41.25 40.78 1qk1 s ASN 215 CO -0.00 -1.99 1.91 0.78 -2.04 0.00 0.00 177.10 175.76 1qk1 h ASN 216 N -1.10 1.09 -0.02 3.54 2.35 -1.34 -1.63 115.58 118.46 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 0.74 0.00 -1.84 -1.65 0.00 0.00 177.43 175.27 1qk1 n GLU 217 N -4.45 1.06 -3.78 0.81 0.28 -1.26 -4.91 120.64 108.39 1qk1 n GLU 217 Ca 0.14 -0.09 -0.25 0.00 -0.16 0.00 0.00 57.16 56.80 1qk1 n GLU 217 Cb 0.11 -1.11 0.03 0.00 1.43 0.00 0.00 31.44 31.90 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 -0.52 -5.30 0.00 3.44 5.02 -0.61 -4.90 118.16 115.30 1qk1 n LYS 218 Ca 0.05 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1qk1 n LYS 218 Cb 0.04 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 29.72 1qk1 n LYS 218 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1qk1 n SER 219 N -2.97 0.81 -3.70 4.39 3.41 -1.26 -4.93 113.62 109.37 1qk1 n SER 219 Ca -0.15 -0.99 -0.22 0.00 -0.26 0.00 0.00 58.87 57.25 1qk1 n SER 219 Cb 0.61 0.02 -0.18 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.02 0.35 -0.04 7.33 5.36 -1.26 -2.06 117.98 127.63 1qk1 s PHE 220 Ca 0.00 -0.04 0.06 0.00 -0.96 0.00 0.00 56.93 56.00 1qk1 s PHE 220 Cb 0.00 -0.65 -0.01 0.00 -0.34 0.00 0.00 43.02 42.01 1qk1 s PHE 220 CO 0.00 -0.31 -0.24 -1.17 -1.46 0.00 0.00 175.22 172.04 1qk1 s LEU 221 N 2.08 2.05 -0.08 6.12 0.20 0.74 -1.92 118.68 127.87 1qk1 s LEU 221 Ca 0.04 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.39 1qk1 s LEU 221 Cb -0.13 -1.31 0.02 0.00 -0.43 0.00 0.00 46.19 44.35 1qk1 s LEU 221 CO -0.05 0.26 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.58 1qk1 s ILE 222 N -0.29 0.79 -0.23 6.68 1.01 0.72 -0.06 121.20 129.83 1qk1 s ILE 222 Ca 0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 1qk1 s ILE 222 Cb -0.12 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1qk1 s ILE 222 CO 0.02 0.31 0.13 0.26 0.00 0.00 0.00 174.94 175.65 1qk1 s TRP 223 N 1.32 3.29 -0.22 3.97 0.51 -0.22 -1.34 118.94 126.25 1qk1 s TRP 223 Ca -0.04 0.14 -0.08 0.00 -2.12 0.00 0.00 56.10 54.00 1qk1 s TRP 223 Cb -0.14 -2.22 -0.04 0.00 -0.81 0.00 0.00 33.47 30.27 1qk1 s TRP 223 CO -0.03 0.06 0.10 0.08 -0.51 0.00 0.00 176.95 176.65 1qk1 s VAL 224 N 0.90 4.80 -1.47 4.03 1.01 -0.26 -1.62 120.40 127.80 1qk1 s VAL 224 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1qk1 s VAL 224 Cb -0.13 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1qk1 s VAL 224 CO 0.03 0.38 0.79 0.59 0.00 0.00 0.00 175.10 176.89 1qk1 n ASN 225 N 4.24 -6.16 0.00 3.32 3.02 0.82 -2.40 115.26 118.10 1qk1 n ASN 225 Ca -0.16 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1qk1 n ASN 225 Cb 0.52 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 1qk1 n ASN 225 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1qk1 n GLU 226 N -4.29 0.00 -0.53 3.52 2.13 -1.26 -4.79 120.64 115.42 1qk1 n GLU 226 Ca -0.07 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.84 1qk1 n GLU 226 Cb 0.60 0.00 0.33 0.00 0.27 0.00 0.00 31.44 32.64 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 3.36 -3.78 5.31 0.28 -1.26 -4.92 120.64 119.63 1qk1 n GLU 227 Ca 0.00 -2.63 -0.04 0.00 -0.16 0.00 0.00 57.16 54.33 1qk1 n GLU 227 Cb 0.00 -1.79 -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 -0.89 -0.17 0.13 -1.84 1.01 -1.26 -4.71 116.67 108.94 1qk1 s ASP 228 Ca 0.47 -0.46 -0.20 0.00 0.71 0.00 0.00 52.55 53.07 1qk1 s ASP 228 Cb 0.29 0.52 -0.03 0.00 1.01 0.00 0.00 42.92 44.71 1qk1 s ASP 228 CO 0.25 -0.97 1.71 0.45 0.21 0.00 0.00 175.17 176.82 1qk1 h HIS 229 N 2.00 -0.06 -3.72 4.23 3.86 -1.91 -3.09 115.15 116.46 1qk1 h HIS 229 Ca -0.24 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 58.80 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 0.47 -0.06 -0.64 0.95 0.86 0.00 0.00 177.93 179.51 1qk1 s THR 230 N -6.20 0.06 -0.17 2.45 -4.23 -1.03 -0.13 115.64 106.39 1qk1 s THR 230 Ca -0.13 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1qk1 s THR 230 Cb 0.10 -0.22 0.02 0.00 1.34 0.00 0.00 72.50 73.75 1qk1 s THR 230 CO 0.68 -0.25 -0.16 -0.13 -0.54 0.00 0.00 174.62 174.22 1qk1 s ARG 231 N -0.78 2.55 -0.19 3.99 1.81 -0.64 -2.05 118.95 123.63 1qk1 s ARG 231 Ca -0.09 -0.71 -0.07 0.00 -1.72 0.00 0.00 55.73 53.14 1qk1 s ARG 231 Cb -0.05 -2.34 -0.04 0.00 -0.45 0.00 0.00 34.95 32.07 1qk1 s ARG 231 CO -0.00 -0.25 0.05 0.08 -0.68 0.00 0.00 175.30 174.50 1qk1 s VAL 232 N 1.39 4.55 -0.04 3.52 1.01 0.36 -1.06 120.40 130.13 1qk1 s VAL 232 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1qk1 s VAL 232 Cb -0.13 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1qk1 s VAL 232 CO -0.11 0.43 -0.09 -0.63 0.00 0.00 0.00 175.10 174.70 1qk1 s ILE 233 N 0.67 0.87 -0.16 2.22 1.01 0.92 -1.34 121.20 125.39 1qk1 s ILE 233 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1qk1 s ILE 233 Cb -0.13 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 1qk1 s ILE 233 CO 0.02 0.28 -0.15 -0.55 0.00 0.00 0.00 174.94 174.55 1qk1 s SER 234 N 0.54 3.70 0.06 3.58 0.15 -0.42 -0.19 113.70 121.13 1qk1 s SER 234 Ca -0.10 -0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.04 1qk1 s SER 234 Cb -0.13 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1qk1 s SER 234 CO 0.02 0.08 0.09 0.00 1.20 0.00 0.00 173.24 174.63 1qk1 s MET 235 N 0.83 0.71 -0.03 5.44 0.23 -0.88 -0.95 119.30 124.66 1qk1 s MET 235 Ca -0.05 -1.01 -0.29 0.00 -1.03 0.00 0.00 55.69 53.31 1qk1 s MET 235 Cb -0.15 0.27 0.08 0.00 -1.53 0.00 0.00 34.83 33.50 1qk1 s MET 235 CO -0.00 -0.19 0.71 -1.21 -2.03 0.00 0.00 175.02 172.30 1qk1 s GLU 236 N -3.62 1.03 0.38 3.16 2.02 -0.82 -4.57 118.70 116.29 1qk1 s GLU 236 Ca 0.04 0.10 -0.20 0.00 0.02 0.00 0.00 54.97 54.93 1qk1 s GLU 236 Cb 0.05 0.49 -0.10 0.00 0.10 0.00 0.00 34.13 34.66 1qk1 s GLU 236 CO -0.09 -0.35 0.88 0.15 0.02 0.00 0.00 175.26 175.86 1qk1 s LYS 237 N -1.68 4.20 0.00 1.61 1.02 -1.26 -1.49 119.74 122.14 1qk1 s LYS 237 Ca -0.07 1.00 0.00 0.00 0.02 0.00 0.00 55.97 56.92 1qk1 s LYS 237 Cb -0.00 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1qk1 s LYS 237 CO 0.04 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1qk1 n GLY 238 N -0.39 -1.45 1.00 -3.33 0.00 0.11 -4.74 105.19 96.38 1qk1 n GLY 238 Ca 0.05 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 44.05 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 2.90 2.74 -0.02 0.00 -1.26 -2.95 105.19 106.60 1qk1 n GLY 239 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.30 5.63 -0.31 1.61 4.05 -1.26 -0.35 115.26 124.32 1qk1 n ASN 240 Ca 0.12 -3.04 0.10 0.00 0.45 0.00 0.00 54.58 52.21 1qk1 n ASN 240 Cb 0.91 -1.49 0.32 0.00 1.23 0.00 0.00 39.78 40.74 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 5.53 0.80 -0.42 1.20 1.85 -1.62 -1.74 114.93 120.54 1qk1 h MET 241 Ca 0.51 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.58 1qk1 h MET 241 Cb 0.55 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 1qk1 h MET 241 CO 1.66 0.53 0.22 -0.22 -0.40 0.00 0.00 176.91 178.70 1qk1 h LYS 242 N 0.83 0.43 -0.36 0.39 3.64 -1.55 0.13 116.57 120.07 1qk1 h LYS 242 Ca 0.48 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.72 1qk1 h LYS 242 Cb 0.63 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1qk1 h LYS 242 CO -0.24 0.29 -0.22 -0.09 -2.27 0.00 0.00 179.45 176.91 1qk1 h ARG 243 N 0.45 0.72 -0.71 1.90 2.43 -1.62 -1.41 114.38 116.14 1qk1 h ARG 243 Ca 0.18 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1qk1 h ARG 243 Cb 0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1qk1 h ARG 243 CO -0.11 0.88 0.43 0.28 -1.51 0.00 0.00 179.97 179.94 1qk1 h VAL 244 N 0.63 1.20 -0.06 0.20 2.07 -0.78 -1.95 116.25 117.55 1qk1 h VAL 244 Ca 0.09 -0.44 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 1qk1 h VAL 244 Cb 0.72 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1qk1 h VAL 244 CO 0.06 0.21 -0.62 0.15 0.02 0.00 0.00 177.57 177.38 1qk1 h PHE 245 N 0.97 0.29 -0.50 1.57 3.57 -0.73 -1.70 116.94 120.41 1qk1 h PHE 245 Ca 0.26 -0.11 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1qk1 h PHE 245 Cb -0.04 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1qk1 h PHE 245 CO -0.01 0.78 -0.10 0.93 -2.23 0.00 0.00 178.31 177.68 1qk1 h GLU 246 N 0.16 0.96 -0.46 1.11 5.08 -0.91 -0.68 114.58 119.84 1qk1 h GLU 246 Ca -0.01 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 1qk1 h GLU 246 Cb 1.13 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1qk1 h GLU 246 CO 0.09 1.02 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.90 1qk1 h ARG 247 N 0.81 0.87 0.26 2.33 2.43 -1.30 -0.70 114.38 119.08 1qk1 h ARG 247 Ca 0.13 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1qk1 h ARG 247 Cb 0.66 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1qk1 h ARG 247 CO 0.05 0.96 -0.21 0.35 -1.51 0.00 0.00 179.97 179.60 1qk1 h PHE 248 N 0.78 -0.56 -0.58 2.20 3.57 -0.96 -0.04 116.94 121.35 1qk1 h PHE 248 Ca 0.12 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1qk1 h PHE 248 Cb 0.66 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1qk1 h PHE 248 CO 0.04 -0.32 0.11 0.00 -2.23 0.00 0.00 178.31 175.91 1qk1 h ARG 250 N 0.87 0.27 -0.70 0.00 2.43 -0.94 -2.35 114.38 113.96 1qk1 h ARG 250 Ca 0.18 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1qk1 h ARG 250 Cb 0.36 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1qk1 h ARG 250 CO 0.00 0.55 0.39 0.78 -1.51 0.00 0.00 179.97 180.19 1qk1 h GLY 251 N -0.03 1.05 1.10 2.80 0.00 -0.94 -1.83 103.07 105.22 1qk1 h GLY 251 Ca 0.04 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1qk1 h GLY 251 CO 0.01 0.45 0.19 1.41 0.00 0.00 0.00 176.54 178.61 1qk1 h LEU 252 N 0.97 1.05 -0.75 3.11 3.38 -1.34 -0.64 115.31 121.09 1qk1 h LEU 252 Ca 0.25 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1qk1 h LEU 252 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1qk1 h LEU 252 CO -0.04 0.99 -0.33 0.11 0.09 0.00 0.00 178.44 179.26 1qk1 h LYS 253 N 1.06 0.57 -0.26 1.13 1.57 -1.21 -1.27 116.57 118.18 1qk1 h LYS 253 Ca 0.23 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1qk1 h LYS 253 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1qk1 h LYS 253 CO -0.00 0.83 -0.16 1.49 -0.57 0.00 0.00 179.45 181.04 1qk1 h GLU 254 N 0.49 0.56 -0.64 3.15 4.57 -1.08 -1.58 114.58 120.05 1qk1 h GLU 254 Ca 0.05 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 57.91 1qk1 h GLU 254 Cb 0.81 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 1qk1 h GLU 254 CO 0.07 0.84 0.14 0.28 -1.18 0.00 0.00 179.01 179.15 1qk1 h VAL 255 N 0.28 1.26 -0.47 0.32 2.07 -1.03 -1.76 116.25 116.93 1qk1 h VAL 255 Ca 0.05 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 1qk1 h VAL 255 Cb 0.69 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1qk1 h VAL 255 CO 0.05 0.36 -0.04 -0.08 0.02 0.00 0.00 177.57 177.88 1qk1 h GLU 256 N 0.95 0.81 -0.35 1.57 4.81 -1.17 -2.18 114.58 119.02 1qk1 h GLU 256 Ca 0.20 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1qk1 h GLU 256 Cb 0.38 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1qk1 h GLU 256 CO 0.01 0.84 0.20 -0.09 -0.73 0.00 0.00 179.01 179.23 1qk1 h ARG 257 N 0.75 0.48 -0.25 1.92 2.43 -0.95 -2.16 114.38 116.59 1qk1 h ARG 257 Ca 0.14 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1qk1 h ARG 257 Cb 0.51 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1qk1 h ARG 257 CO 0.03 0.38 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.66 1qk1 h LEU 258 N 0.44 0.41 0.00 3.80 3.38 -1.07 -2.46 115.31 119.81 1qk1 h LEU 258 Ca 0.12 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1qk1 h LEU 258 Cb 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1qk1 h LEU 258 CO -0.02 0.57 -0.72 0.16 0.09 0.00 0.00 178.44 178.52 1qk1 h ILE 259 N 0.39 0.97 0.00 1.22 3.07 -1.23 -3.14 117.51 118.78 1qk1 h ILE 259 Ca 0.07 -2.41 -0.04 0.00 1.55 0.00 0.00 64.86 64.03 1qk1 h ILE 259 Cb 0.47 2.45 -0.01 0.00 -0.27 0.00 0.00 36.82 39.47 1qk1 h ILE 259 CO 0.03 0.55 -0.19 1.56 -1.05 0.00 0.00 178.15 179.05 1qk1 h GLN 260 N 0.00 0.00 0.00 0.16 4.20 -1.14 -0.99 115.11 117.34 1qk1 h GLN 260 Ca -0.03 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1qk1 h GLN 260 Cb 1.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1qk1 h GLN 260 CO 0.07 0.19 -0.29 1.49 -0.67 0.00 0.00 178.83 179.63 1qk1 h GLU 261 N 0.00 0.00 -0.68 1.46 4.81 -1.40 -2.17 114.58 116.61 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 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1qk1 h GLU 261 CO 0.03 0.29 0.00 0.54 -0.73 0.00 0.00 179.01 179.14 1qk1 n ARG 262 N -4.00 3.22 -0.39 1.92 5.12 -0.91 -4.96 116.66 116.67 1qk1 n ARG 262 Ca -0.02 -2.76 0.00 0.00 -1.93 0.00 0.00 57.85 53.15 1qk1 n ARG 262 Cb 0.36 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 1.34 0.75 3.86 -0.13 0.00 -0.81 -5.08 105.19 105.11 1qk1 n GLY 263 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.37 3.23 0.18 1.61 0.52 -0.43 -4.97 118.94 116.72 1qk1 s TRP 264 Ca 0.00 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.10 1qk1 s TRP 264 Cb 0.00 -1.50 -0.05 0.00 -1.15 0.00 0.00 33.47 30.78 1qk1 s TRP 264 CO 0.00 0.51 0.01 -1.21 0.02 0.00 0.00 176.95 176.27 1qk1 s GLU 265 N -3.58 1.15 0.30 4.98 2.02 -1.26 -3.22 118.70 119.10 1qk1 s GLU 265 Ca 0.33 -1.56 -0.11 0.00 0.02 0.00 0.00 54.97 53.64 1qk1 s GLU 265 Cb -0.09 -0.29 -0.08 0.00 0.10 0.00 0.00 34.13 33.77 1qk1 s GLU 265 CO 0.26 -0.14 0.66 -0.06 0.02 0.00 0.00 175.26 175.99 1qk1 s PHE 266 N -3.65 3.42 -0.13 1.61 0.08 -1.26 -0.60 117.98 117.45 1qk1 s PHE 266 Ca 0.25 1.01 -0.29 0.00 0.12 0.00 0.00 56.93 58.02 1qk1 s PHE 266 Cb 0.06 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.12 1qk1 s PHE 266 CO 0.05 0.13 1.15 -1.64 -0.10 0.00 0.00 175.22 174.82 1qk1 s MET 267 N -3.12 4.31 -0.11 0.44 -1.94 0.36 -4.60 119.30 114.64 1qk1 s MET 267 Ca 0.50 1.56 -0.28 0.00 -1.71 0.00 0.00 55.69 55.76 1qk1 s MET 267 Cb -0.11 -3.63 0.07 0.00 2.01 0.00 0.00 34.83 33.17 1qk1 s MET 267 CO 0.22 -0.54 0.66 -0.46 -0.01 0.00 0.00 175.02 174.90 1qk1 s TRP 268 N 2.75 -0.66 0.10 -0.03 -0.00 -1.26 -2.10 118.94 117.74 1qk1 s TRP 268 Ca 0.52 1.30 -0.13 0.00 -0.00 0.00 0.00 56.10 57.79 1qk1 s TRP 268 Cb -0.21 0.34 0.02 0.00 -0.00 0.00 0.00 33.47 33.62 1qk1 s TRP 268 CO 0.16 -0.52 0.31 0.54 -0.00 0.00 0.00 176.95 177.44 1qk1 s ASN 269 N -0.71 -0.09 0.49 5.86 2.20 -0.90 -4.99 114.94 116.80 1qk1 s ASN 269 Ca -0.08 -0.43 0.32 0.00 -0.94 0.00 0.00 52.86 51.73 1qk1 s ASN 269 Cb -0.02 0.41 1.43 0.00 -2.00 0.00 0.00 41.25 41.07 1qk1 s ASN 269 CO 0.07 -0.78 1.96 1.05 -2.94 0.00 0.00 177.10 176.46 1qk1 h GLU 270 N 2.59 0.00 0.00 3.55 4.11 -1.89 0.89 114.58 123.83 1qk1 h GLU 270 Ca -0.34 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.99 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 0.50 0.00 -1.65 2.89 0.07 0.00 0.00 179.01 180.82 1qk1 n ARG 271 N -2.84 0.64 0.00 1.06 1.85 -1.26 -0.85 116.66 115.26 1qk1 n ARG 271 Ca 0.00 0.03 0.01 0.00 -1.00 0.00 0.00 57.85 56.89 1qk1 n ARG 271 Cb 0.24 -1.68 0.01 0.00 -1.05 0.00 0.00 32.46 29.97 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 -2.62 0.97 0.00 2.89 4.77 -1.19 -4.34 117.00 117.48 1qk1 n LEU 272 Ca -0.09 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1qk1 n LEU 272 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1qk1 n LEU 272 CO 0.43 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1qk1 n GLY 273 N 0.29 1.38 3.74 -0.72 0.00 0.30 -0.29 105.19 109.89 1qk1 n GLY 273 Ca 0.01 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1qk1 n GLY 273 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qk1 s TYR 274 N 0.00 3.38 -0.18 1.61 2.02 -0.44 -2.11 117.35 121.63 1qk1 s TYR 274 Ca 0.00 1.41 -0.16 0.00 -0.37 0.00 0.00 57.07 57.96 1qk1 s TYR 274 Cb 0.00 -3.47 -0.04 0.00 -0.40 0.00 0.00 41.96 38.05 1qk1 s TYR 274 CO 0.00 -1.31 0.38 0.42 -1.57 0.00 0.00 175.55 173.47 1qk1 s ILE 275 N -0.22 5.23 0.31 2.71 1.01 -0.89 -3.32 121.20 126.03 1qk1 s ILE 275 Ca 0.52 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.89 1qk1 s ILE 275 Cb -0.34 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1qk1 s ILE 275 CO 0.39 0.31 0.10 -0.76 0.00 0.00 0.00 174.94 174.97 1qk1 s LEU 276 N 0.94 1.86 0.28 2.97 1.43 -1.26 -4.13 118.68 120.76 1qk1 s LEU 276 Ca 0.19 -1.46 0.07 0.00 -1.03 0.00 0.00 54.13 51.90 1qk1 s LEU 276 Cb -0.14 -0.09 0.38 0.00 0.03 0.00 0.00 46.19 46.37 1qk1 s LEU 276 CO 0.07 -0.75 1.64 0.00 0.23 0.00 0.00 176.35 177.54 1qk1 h THR 277 N 2.18 1.36 -3.41 5.49 1.03 -1.87 -3.42 112.91 114.26 1qk1 h THR 277 Ca -0.38 -1.76 -0.62 0.00 -0.01 0.00 0.00 66.41 63.64 1qk1 h THR 277 Cb 1.25 1.87 -0.15 0.00 -1.07 0.00 0.00 68.15 70.05 1qk1 h THR 277 CO 0.61 0.52 -0.53 0.00 -0.01 0.00 0.00 175.52 176.11 1qk1 h PRO 279 N 7.09 0.00 0.00 0.00 0.11 -1.82 -0.60 132.00 136.78 1qk1 h PRO 279 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 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 0.69 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 1qk1 h SER 280 N 0.00 0.00 -0.55 -2.05 4.64 -1.94 -3.07 113.55 110.58 1qk1 h SER 280 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1qk1 h SER 280 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 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 -3.02 5.23 -4.19 4.97 3.02 -0.23 -4.92 115.26 116.12 1qk1 n ASN 281 Ca 0.01 -2.81 -0.29 0.00 -0.03 0.00 0.00 54.58 51.45 1qk1 n ASN 281 Cb 0.29 -0.63 0.22 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.52 0.97 0.00 3.41 1.02 -1.16 -2.87 118.68 117.53 1qk1 s LEU 282 Ca 0.52 0.90 0.00 0.00 0.02 0.00 0.00 54.13 55.57 1qk1 s LEU 282 Cb 0.38 -2.80 0.00 0.00 0.02 0.00 0.00 46.19 43.79 1qk1 s LEU 282 CO 0.17 -3.80 0.00 0.61 0.02 0.00 0.00 176.35 173.36 1qk1 n GLY 283 N -0.83 2.02 0.01 -3.19 0.00 0.61 -2.74 105.19 101.06 1qk1 n GLY 283 Ca 0.09 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 0.08 -2.03 2.61 -2.24 -0.85 -1.33 114.28 110.53 1qk1 n THR 284 Ca 0.00 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 1qk1 n THR 284 Cb 0.00 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1qk1 n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qk1 n GLY 285 N 1.90 0.24 3.76 3.38 0.00 -1.11 -4.62 105.19 108.74 1qk1 n GLY 285 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1qk1 n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qk1 s LEU 286 N -4.98 4.33 -0.30 0.99 0.20 -1.26 -4.03 118.68 113.62 1qk1 s LEU 286 Ca 0.00 0.72 0.01 0.00 0.69 0.00 0.00 54.13 55.55 1qk1 s LEU 286 Cb 0.00 -2.50 0.09 0.00 -0.43 0.00 0.00 46.19 43.35 1qk1 s LEU 286 CO 0.00 0.15 0.05 -0.13 -0.29 0.00 0.00 176.35 176.13 1qk1 s ARG 287 N -0.00 1.14 -0.21 1.98 1.81 -0.44 -4.85 118.95 118.38 1qk1 s ARG 287 Ca 0.21 -1.32 -0.08 0.00 -1.72 0.00 0.00 55.73 52.83 1qk1 s ARG 287 Cb -0.15 -2.52 -0.04 0.00 -0.45 0.00 0.00 34.95 31.80 1qk1 s ARG 287 CO 0.08 -0.89 0.08 0.00 -0.68 0.00 0.00 175.30 173.89 1qk1 s ALA 288 N 1.34 3.35 0.34 2.13 0.00 -1.26 -1.17 121.76 126.48 1qk1 s ALA 288 Ca 0.07 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1qk1 s ALA 288 Cb -0.18 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 20.94 1qk1 s ALA 288 CO -0.15 -0.08 0.62 0.20 0.00 0.00 0.00 175.76 176.34 1qk1 s GLY 289 N 0.86 0.75 0.09 0.00 0.00 -0.11 -2.51 107.32 106.40 1qk1 s GLY 289 Ca 0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 1qk1 s GLY 289 CO 0.03 -0.59 -0.02 -1.34 0.00 0.00 0.00 173.10 171.18 1qk1 s VAL 290 N -3.04 0.33 -0.31 1.40 -7.23 -0.43 -1.35 120.40 109.76 1qk1 s VAL 290 Ca 0.22 -1.87 -0.08 0.00 -1.81 0.00 0.00 61.98 58.43 1qk1 s VAL 290 Cb -0.03 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.21 1qk1 s VAL 290 CO 0.14 -0.82 0.12 -1.00 -0.31 0.00 0.00 175.10 173.23 1qk1 s HIS 291 N -3.87 3.17 0.07 2.82 3.76 -0.67 -1.70 115.29 118.88 1qk1 s HIS 291 Ca 0.13 -0.82 0.06 0.00 -0.15 0.00 0.00 55.06 54.28 1qk1 s HIS 291 Cb 0.07 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 1qk1 s HIS 291 CO -0.05 -0.54 -0.17 -1.50 -0.85 0.00 0.00 174.74 171.63 1qk1 s ILE 292 N 1.55 1.35 -0.27 0.60 2.07 -0.15 -0.05 121.20 126.30 1qk1 s ILE 292 Ca 0.03 -1.30 -0.12 0.00 -1.41 0.00 0.00 60.65 57.85 1qk1 s ILE 292 Cb -0.17 -1.24 -0.05 0.00 0.13 0.00 0.00 42.46 41.13 1qk1 s ILE 292 CO 0.04 -0.08 0.23 -0.54 -1.91 0.00 0.00 174.94 172.69 1qk1 s LYS 293 N -1.61 3.99 -0.39 3.50 1.02 0.33 -0.91 119.74 125.68 1qk1 s LYS 293 Ca 0.02 -0.21 0.09 0.00 0.02 0.00 0.00 55.97 55.90 1qk1 s LYS 293 Cb -0.09 -3.63 0.29 0.00 -0.52 0.00 0.00 37.83 33.87 1qk1 s LYS 293 CO 0.03 -0.16 0.62 1.28 -0.92 0.00 0.00 175.35 176.20 1qk1 n LEU 294 N 4.97 0.34 -0.22 3.17 4.77 0.92 -4.86 117.00 126.09 1qk1 n LEU 294 Ca -0.13 -4.78 -0.07 0.00 -0.03 0.00 0.00 56.01 51.01 1qk1 n LEU 294 Cb 0.52 0.68 0.04 0.00 -2.33 0.00 0.00 43.42 42.32 1qk1 n LEU 294 CO 0.35 2.15 1.06 -0.65 -1.33 0.00 0.00 177.39 178.97 1qk1 h PRO 295 N 3.60 0.88 0.06 3.23 0.11 -1.88 -1.61 132.00 136.38 1qk1 h PRO 295 Ca 0.08 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1qk1 h PRO 295 Cb 0.92 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1qk1 h PRO 295 CO 0.47 0.68 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.84 1qk1 h LEU 296 N 0.85 -0.07 -2.33 2.35 3.38 -1.94 -3.33 115.31 114.23 1qk1 h LEU 296 Ca 0.22 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1qk1 h LEU 296 Cb 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1qk1 h LEU 296 CO -0.03 0.64 0.05 0.25 0.09 0.00 0.00 178.44 179.44 1qk1 h LEU 297 N -0.94 0.00 -0.26 1.67 5.85 -1.92 -1.51 115.31 118.21 1qk1 h LEU 297 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1qk1 h LEU 297 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1qk1 h LEU 297 CO 0.01 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.57 1qk1 n SER 298 N -3.97 0.36 -0.03 1.25 3.41 -0.61 -2.59 113.62 111.44 1qk1 n SER 298 Ca -0.02 0.57 0.01 0.00 -0.26 0.00 0.00 58.87 59.18 1qk1 n SER 298 Cb 0.15 -0.65 -0.14 0.00 -0.26 0.00 0.00 64.21 63.31 1qk1 n SER 298 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qk1 n LYS 299 N -1.88 0.66 -2.18 4.33 4.76 -0.57 -4.91 118.16 118.37 1qk1 n LYS 299 Ca 0.04 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 1qk1 n LYS 299 Cb 0.25 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1qk1 n LYS 299 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1qk1 s ASP 300 N -5.20 6.82 0.00 4.39 -1.08 -1.07 -4.91 116.67 115.61 1qk1 s ASP 300 Ca -0.07 2.18 0.09 0.00 -0.52 0.00 0.00 52.55 54.22 1qk1 s ASP 300 Cb 0.10 -2.56 0.43 0.00 -1.46 0.00 0.00 42.92 39.42 1qk1 s ASP 300 CO 0.85 -0.73 1.18 -1.54 0.52 0.00 0.00 175.17 175.45 1qk1 n SER 301 N 5.28 0.00 -0.05 -0.34 3.41 -1.26 -2.00 113.62 118.65 1qk1 n SER 301 Ca 0.13 0.23 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 1qk1 n SER 301 Cb 0.43 -0.33 0.40 0.00 -0.26 0.00 0.00 64.21 64.45 1qk1 n SER 301 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qk1 n ARG 302 N -1.33 0.21 -0.12 4.33 1.74 -1.26 -4.33 116.66 115.90 1qk1 n ARG 302 Ca 0.04 -0.10 -0.06 0.00 -0.77 0.00 0.00 57.85 56.96 1qk1 n ARG 302 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 0.24 -0.70 -0.71 -1.55 3.57 -1.65 -0.76 116.94 115.39 1qk1 h PHE 303 Ca 0.00 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1qk1 h PHE 303 Cb 0.48 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 1qk1 h PHE 303 CO 0.00 -0.34 0.44 -1.35 -2.23 0.00 0.00 178.31 174.84 1qk1 h PRO 304 N -0.18 0.83 0.00 6.41 0.11 -1.83 -0.80 132.00 136.54 1qk1 h PRO 304 Ca 0.19 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1qk1 h PRO 304 Cb 0.49 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1qk1 h PRO 304 CO -0.53 0.55 -0.27 -0.22 -0.21 0.00 0.00 178.00 177.32 1qk1 h LYS 305 N 0.86 0.00 -0.09 1.05 1.63 -1.68 -0.77 116.57 117.57 1qk1 h LYS 305 Ca 0.29 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 60.00 1qk1 h LYS 305 Cb 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1qk1 h LYS 305 CO -0.12 0.27 -0.29 0.82 -3.45 0.00 0.00 179.45 176.69 1qk1 h ILE 306 N 0.00 1.41 -0.02 2.00 2.04 0.02 -2.26 117.51 120.70 1qk1 h ILE 306 Ca -0.00 -1.65 0.01 0.00 1.00 0.00 0.00 64.86 64.22 1qk1 h ILE 306 Cb 0.57 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1qk1 h ILE 306 CO 0.04 0.48 -0.02 -0.07 0.00 0.00 0.00 178.15 178.58 1qk1 h LEU 307 N -0.11 -0.05 -0.37 1.44 4.07 -0.94 -2.15 115.31 117.19 1qk1 h LEU 307 Ca -0.01 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.02 1qk1 h LEU 307 Cb 0.92 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.64 1qk1 h LEU 307 CO 0.06 -0.02 0.07 -0.08 -1.08 0.00 0.00 178.44 177.39 1qk1 h GLU 308 N -0.02 0.19 0.00 1.13 4.81 -1.18 -1.20 114.58 118.31 1qk1 h GLU 308 Ca 0.02 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1qk1 h GLU 308 Cb 0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1qk1 h GLU 308 CO -0.04 0.12 -0.19 -0.91 -0.73 0.00 0.00 179.01 177.27 1qk1 h ASN 309 N 0.19 0.00 0.18 1.04 4.21 -1.23 -2.06 115.58 117.91 1qk1 h ASN 309 Ca 0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.69 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 -0.24 0.19 -0.18 0.18 -1.29 0.00 0.00 177.43 176.08 1qk1 n LEU 310 N -3.66 1.12 -3.06 1.61 4.77 -0.72 -2.02 117.00 115.04 1qk1 n LEU 310 Ca -0.01 -0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 55.50 1qk1 n LEU 310 Cb 0.31 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1qk1 n LEU 310 CO 0.32 0.20 0.13 0.54 -1.33 0.00 0.00 177.39 177.25 1qk1 n ARG 311 N -0.45 -5.92 -4.34 3.23 1.74 -0.54 -4.90 116.66 105.48 1qk1 n ARG 311 Ca 0.14 0.71 -0.23 0.00 -0.77 0.00 0.00 57.85 57.70 1qk1 n ARG 311 Cb 0.35 -5.34 -0.12 0.00 -1.02 0.00 0.00 32.46 26.33 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 -5.86 2.40 0.12 0.55 1.43 -0.68 -2.09 118.68 114.55 1qk1 s LEU 312 Ca 0.15 -0.82 0.06 0.00 -1.03 0.00 0.00 54.13 52.50 1qk1 s LEU 312 Cb -0.07 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1qk1 s LEU 312 CO 0.61 0.02 -0.16 0.00 0.23 0.00 0.00 176.35 177.06 1qk1 s GLN 313 N -2.55 1.05 0.20 1.70 -2.07 -0.26 -4.30 119.66 113.43 1qk1 s GLN 313 Ca 0.14 -1.22 0.10 0.00 -1.82 0.00 0.00 55.36 52.57 1qk1 s GLN 313 Cb -0.07 -1.02 -0.04 0.00 -1.09 0.00 0.00 33.01 30.78 1qk1 s GLN 313 CO 0.07 0.21 -0.21 -1.59 -1.32 0.00 0.00 175.29 172.45 1qk1 s LYS 314 N -2.46 1.45 0.28 9.60 -2.85 -1.26 -1.94 119.74 122.55 1qk1 s LYS 314 Ca 0.08 -1.53 -0.16 0.00 -1.00 0.00 0.00 55.97 53.36 1qk1 s LYS 314 Cb -0.06 -1.62 0.01 0.00 -2.06 0.00 0.00 37.83 34.10 1qk1 s LYS 314 CO 0.04 0.33 0.61 -0.98 0.10 0.00 0.00 175.35 175.44 1qk1 s ARG 315 N -2.89 1.72 0.65 1.78 1.70 -0.76 -4.98 118.95 116.17 1qk1 s ARG 315 Ca 0.21 -1.17 -0.18 0.00 -0.47 0.00 0.00 55.73 54.12 1qk1 s ARG 315 Cb -0.06 0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 34.85 1qk1 s ARG 315 CO 0.09 -0.76 1.25 0.20 -1.08 0.00 0.00 175.30 175.01 1qk1 s GLY 316 N -2.99 2.72 0.00 3.88 0.00 -1.26 -1.96 107.32 107.71 1qk1 s GLY 316 Ca 0.17 1.09 0.00 0.00 0.00 0.00 0.00 44.72 45.99 1qk1 s GLY 316 CO 0.09 1.51 0.00 2.41 0.00 0.00 0.00 173.10 177.10 1qk1 n THR 317 N -1.98 0.00 0.00 0.90 -1.04 -1.26 -4.57 114.28 106.33 1qk1 n THR 317 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1qk1 n THR 317 Cb 0.49 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 0.74 1.11 2.40 3.41 0.00 -1.26 -4.48 105.19 107.11 1qk1 n GLY 318 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.34 3.84 -0.02 0.00 -1.26 -4.90 105.19 107.18 1qk1 n GLY 319 Ca 0.00 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1qk1 n GLY 319 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qk1 s VAL 320 N 2.16 5.01 0.00 1.61 1.01 -1.26 -4.77 120.40 124.15 1qk1 s VAL 320 Ca 0.65 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1qk1 s VAL 320 Cb 0.17 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1qk1 s VAL 320 CO -0.07 0.57 0.00 -0.67 0.00 0.00 0.00 175.10 174.93 1qk1 n ASP 321 N 1.78 0.00 -0.10 3.32 -0.08 -1.26 -4.92 116.55 115.29 1qk1 n ASP 321 Ca -0.14 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.02 1qk1 n ASP 321 Cb 0.52 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.94 1qk1 n ASP 321 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1qk1 h THR 322 N 0.00 1.30 -3.14 5.18 2.02 -2.03 -3.41 112.91 112.82 1qk1 h THR 322 Ca 0.00 -1.30 -0.43 0.00 0.77 0.00 0.00 66.41 65.45 1qk1 h THR 322 Cb 0.00 1.51 -0.40 0.00 -1.74 0.00 0.00 68.15 67.52 1qk1 h THR 322 CO 0.00 0.41 -0.75 0.00 0.37 0.00 0.00 175.52 175.56 1qk1 s ALA 323 N -4.53 0.36 0.05 6.16 0.00 -1.26 -5.13 121.76 117.41 1qk1 s ALA 323 Ca -0.13 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.39 1qk1 s ALA 323 Cb 0.08 -0.89 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 1qk1 s ALA 323 CO 0.80 -0.93 1.50 0.00 0.00 0.00 0.00 175.76 177.13 1qk1 s ALA 324 N 2.15 3.63 0.00 0.00 0.00 -1.26 -4.86 121.76 121.41 1qk1 s ALA 324 Ca 0.03 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1qk1 s ALA 324 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1qk1 s ALA 324 CO -0.07 -0.94 0.00 0.25 0.00 0.00 0.00 175.76 175.00 1qk1 n THR 325 N 4.57 0.00 -2.99 0.00 -2.24 -1.26 -4.56 114.28 107.79 1qk1 n THR 325 Ca 0.14 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 1qk1 n THR 325 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1qk1 n THR 325 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qk1 s GLY 326 N 0.00 -1.18 0.00 3.38 0.00 -1.26 -4.96 107.32 103.30 1qk1 s GLY 326 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.49 1qk1 s GLY 326 CO 0.00 4.20 0.00 0.61 0.00 0.00 0.00 173.10 177.91 1qk1 n GLY 327 N 4.51 0.31 3.56 0.20 0.00 -1.26 -4.82 105.19 107.69 1qk1 n GLY 327 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 4.92 0.27 1.61 1.01 -1.26 -0.05 120.40 124.89 1qk1 s VAL 328 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1qk1 s VAL 328 Cb 0.00 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 1qk1 s VAL 328 CO 0.00 0.32 -0.03 -0.36 0.00 0.00 0.00 175.10 175.03 1qk1 s PHE 329 N 1.41 1.82 -0.39 5.22 0.40 -0.09 -4.35 117.98 122.00 1qk1 s PHE 329 Ca 0.06 -0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 55.52 1qk1 s PHE 329 Cb -0.15 -1.06 0.07 0.00 0.51 0.00 0.00 43.02 42.39 1qk1 s PHE 329 CO 0.06 0.15 0.19 0.34 0.70 0.00 0.00 175.22 176.66 1qk1 s ASP 330 N -3.40 5.46 -0.15 1.36 -1.08 -0.83 -0.97 116.67 117.06 1qk1 s ASP 330 Ca 0.30 -1.44 -0.04 0.00 -0.52 0.00 0.00 52.55 50.84 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 -0.46 -0.01 -0.63 0.52 0.00 0.00 175.17 174.70 1qk1 s ILE 331 N 1.38 4.15 0.24 4.11 -1.09 -0.69 -1.82 121.20 127.47 1qk1 s ILE 331 Ca 0.02 -0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.05 1qk1 s ILE 331 Cb -0.22 -2.82 -0.01 0.00 -1.58 0.00 0.00 42.46 37.84 1qk1 s ILE 331 CO 0.01 0.51 0.43 -0.94 -1.23 0.00 0.00 174.94 173.72 1qk1 s SER 332 N 0.14 -0.06 0.52 3.58 1.04 -0.82 -1.32 113.70 116.79 1qk1 s SER 332 Ca 0.00 -0.98 -0.22 0.00 0.48 0.00 0.00 55.95 55.24 1qk1 s SER 332 Cb -0.13 0.55 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 1qk1 s SER 332 CO 0.02 -1.09 1.26 0.54 0.98 0.00 0.00 173.24 174.95 1qk1 s ASN 333 N -3.03 5.60 -0.15 7.02 4.22 -1.05 -1.10 114.94 126.45 1qk1 s ASN 333 Ca 0.24 2.53 -0.17 0.00 -2.14 0.00 0.00 52.86 53.32 1qk1 s ASN 333 Cb 0.00 -2.62 -0.23 0.00 1.28 0.00 0.00 41.25 39.68 1qk1 s ASN 333 CO 0.09 -1.32 0.37 0.25 -2.04 0.00 0.00 177.10 174.44 1qk1 h LEU 334 N 1.60 0.21-10.20 3.54 7.12 -1.74 -3.43 115.31 112.40 1qk1 h LEU 334 Ca -0.50 -0.73 -0.49 0.00 0.13 0.00 0.00 57.88 56.28 1qk1 h LEU 334 Cb 1.28 -0.07 0.06 0.00 -0.53 0.00 0.00 40.66 41.40 1qk1 h LEU 334 CO 0.58 1.60 0.38 -1.81 -0.13 0.00 0.00 178.44 179.06 1qk1 s ASP 335 N -6.93 5.92 0.00 1.25 1.01 -1.26 -5.00 116.67 111.66 1qk1 s ASP 335 Ca -0.24 1.78 0.00 0.00 0.71 0.00 0.00 52.55 54.79 1qk1 s ASP 335 Cb 0.05 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1qk1 s ASP 335 CO 0.69 -1.07 0.00 -1.14 0.21 0.00 0.00 175.17 173.85 1qk1 n ARG 336 N -1.97 0.00 -5.28 8.23 0.63 -1.26 -4.91 116.66 112.11 1qk1 n ARG 336 Ca 0.08 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.70 1qk1 n ARG 336 Cb 0.53 -0.48 -0.16 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 -1.96 2.08 0.00 6.15 0.20 -1.26 -2.00 118.68 121.90 1qk1 s LEU 337 Ca 0.00 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.34 1qk1 s LEU 337 Cb 0.00 -1.36 0.00 0.00 -0.43 0.00 0.00 46.19 44.40 1qk1 s LEU 337 CO 0.00 0.29 0.00 0.61 -0.29 0.00 0.00 176.35 176.96 1qk1 n GLY 338 N 2.63 0.53 2.94 7.98 0.00 -1.26 -4.98 105.19 113.03 1qk1 n GLY 338 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.90 0.08 0.88 1.61 1.02 -1.26 -4.90 119.74 116.27 1qk1 s LYS 339 Ca 0.00 0.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.93 1qk1 s LYS 339 Cb 0.00 0.04 0.12 0.00 -0.52 0.00 0.00 37.83 37.47 1qk1 s LYS 339 CO 0.00 -0.01 1.09 -1.54 -0.92 0.00 0.00 175.35 173.97 1qk1 s SER 340 N -0.03 3.62 0.33 2.83 1.04 -1.25 -4.79 113.70 115.45 1qk1 s SER 340 Ca -0.01 1.47 0.06 0.00 0.48 0.00 0.00 55.95 57.95 1qk1 s SER 340 Cb -0.01 -2.16 0.58 0.00 0.10 0.00 0.00 66.02 64.54 1qk1 s SER 340 CO 0.00 -2.54 1.81 1.05 0.98 0.00 0.00 173.24 174.54 1qk1 h GLU 341 N -1.48 0.37 -0.48 4.02 9.09 -1.82 -0.99 114.58 123.29 1qk1 h GLU 341 Ca -0.49 -0.11 -0.03 0.00 0.05 0.00 0.00 59.36 58.78 1qk1 h GLU 341 Cb 1.28 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 1qk1 h GLU 341 CO 0.55 0.55 0.18 0.28 0.05 0.00 0.00 179.01 180.62 1qk1 h VAL 342 N 0.34 1.22 -0.49 -1.06 2.07 -1.89 -0.84 116.25 115.60 1qk1 h VAL 342 Ca 0.06 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1qk1 h VAL 342 Cb 0.52 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1qk1 h VAL 342 CO 0.03 0.26 0.06 -0.33 0.02 0.00 0.00 177.57 177.61 1qk1 h GLU 343 N 0.64 0.77 -0.26 1.57 5.08 -1.77 -1.77 114.58 118.85 1qk1 h GLU 343 Ca 0.16 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1qk1 h GLU 343 Cb 0.22 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1qk1 h GLU 343 CO -0.01 0.74 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.29 1qk1 h LEU 344 N 0.74 0.78 -0.38 1.33 3.38 -0.85 -1.29 115.31 119.01 1qk1 h LEU 344 Ca 0.15 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1qk1 h LEU 344 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1qk1 h LEU 344 CO 0.01 1.14 0.04 0.58 0.09 0.00 0.00 178.44 180.29 1qk1 h VAL 345 N 0.45 1.25 -0.95 1.22 2.07 -1.09 -1.51 116.25 117.68 1qk1 h VAL 345 Ca 0.03 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1qk1 h VAL 345 Cb 0.97 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1qk1 h VAL 345 CO 0.09 0.31 0.62 -0.61 0.02 0.00 0.00 177.57 177.99 1qk1 h GLN 346 N 0.48 1.13 -0.51 1.57 5.75 -1.29 0.56 115.11 122.80 1qk1 h GLN 346 Ca 0.11 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 1qk1 h GLN 346 Cb 0.41 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1qk1 h GLN 346 CO 0.01 0.75 0.08 1.25 -2.65 0.00 0.00 178.83 178.27 1qk1 h LEU 347 N 1.16 0.75 -0.29 -2.39 6.46 -0.88 -0.33 115.31 119.80 1qk1 h LEU 347 Ca 0.39 -0.15 -0.17 0.00 -0.12 0.00 0.00 57.88 57.84 1qk1 h LEU 347 Cb 0.07 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1qk1 h LEU 347 CO -0.14 0.77 -0.46 0.58 -0.62 0.00 0.00 178.44 178.56 1qk1 h VAL 348 N 0.76 1.29 -0.18 1.05 2.07 -0.23 -0.79 116.25 120.23 1qk1 h VAL 348 Ca 0.16 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1qk1 h VAL 348 Cb 0.35 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1qk1 h VAL 348 CO 0.01 0.54 0.11 0.40 0.02 0.00 0.00 177.57 178.64 1qk1 h ILE 349 N 0.59 1.08 -0.43 4.57 2.04 -0.59 0.72 117.51 125.50 1qk1 h ILE 349 Ca 0.02 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1qk1 h ILE 349 Cb 1.07 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1qk1 h ILE 349 CO 0.11 0.08 0.09 0.44 0.00 0.00 0.00 178.15 178.87 1qk1 h ASP 350 N 0.20 0.66 -0.42 1.72 3.32 -1.05 -1.93 116.42 118.92 1qk1 h ASP 350 Ca 0.06 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1qk1 h ASP 350 Cb 0.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1qk1 h ASP 350 CO -0.01 0.73 0.19 1.23 -1.72 0.00 0.00 179.24 179.66 1qk1 h GLY 351 N 0.56 0.66 1.20 2.75 0.00 -0.94 -2.06 103.07 105.24 1qk1 h GLY 351 Ca 0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 1qk1 h GLY 351 CO 0.00 0.32 -0.05 -2.08 0.00 0.00 0.00 176.54 174.73 1qk1 h VAL 352 N 0.54 1.26 -0.68 4.60 2.07 -0.81 -1.13 116.25 122.09 1qk1 h VAL 352 Ca 0.14 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1qk1 h VAL 352 Cb 0.14 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1qk1 h VAL 352 CO -0.02 0.41 0.35 0.78 0.02 0.00 0.00 177.57 179.11 1qk1 h ASN 353 N 0.86 0.85 -0.02 0.57 2.35 -1.19 -0.10 115.58 118.91 1qk1 h ASN 353 Ca 0.15 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.71 1qk1 h ASN 353 Cb 0.57 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1qk1 h ASN 353 CO 0.03 0.71 -0.35 0.22 -1.65 0.00 0.00 177.43 176.39 1qk1 h TYR 354 N 0.95 0.58 -0.32 1.19 5.03 -0.80 -1.63 116.97 121.98 1qk1 h TYR 354 Ca 0.24 -0.15 -0.14 0.00 2.58 0.00 0.00 58.73 61.26 1qk1 h TYR 354 Cb 0.06 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1qk1 h TYR 354 CO 0.01 0.78 -0.38 -0.07 -1.32 0.00 0.00 178.16 177.19 1qk1 h LEU 355 N 0.42 0.78 -0.39 2.82 4.07 -0.41 -1.83 115.31 120.77 1qk1 h LEU 355 Ca 0.05 -0.35 -0.07 0.00 0.08 0.00 0.00 57.88 57.59 1qk1 h LEU 355 Cb 0.81 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1qk1 h LEU 355 CO 0.07 1.07 -0.04 0.40 -1.08 0.00 0.00 178.44 178.86 1qk1 h ILE 356 N 0.61 1.27 -0.33 1.22 2.04 -0.78 -2.01 117.51 119.53 1qk1 h ILE 356 Ca 0.06 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 1qk1 h ILE 356 Cb 0.92 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1qk1 h ILE 356 CO 0.08 0.36 0.09 -0.78 0.00 0.00 0.00 178.15 177.91 1qk1 h ASP 357 N 0.54 0.43 -0.32 1.72 1.82 -1.21 -0.05 116.42 119.35 1qk1 h ASP 357 Ca 0.11 -0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.60 1qk1 h ASP 357 Cb 0.53 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1qk1 h ASP 357 CO 0.03 0.42 -0.20 0.00 -1.61 0.00 0.00 179.24 177.89 1qk1 h GLU 359 N 0.46 0.39 -0.01 0.00 4.57 -0.78 -1.07 114.58 118.14 1qk1 h GLU 359 Ca 0.07 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 57.97 1qk1 h GLU 359 Cb 0.74 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1qk1 h GLU 359 CO 0.06 0.56 -0.73 0.00 -1.18 0.00 0.00 179.01 177.71 1qk1 h ARG 360 N 0.36 0.07 -0.15 1.92 3.08 -0.91 -2.78 114.38 115.98 1qk1 h ARG 360 Ca 0.06 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 59.84 1qk1 h ARG 360 Cb 0.52 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.60 1qk1 h ARG 360 CO 0.03 0.77 -0.75 0.00 -1.07 0.00 0.00 179.97 178.95 1qk1 h ARG 361 N 0.04 0.77 0.00 0.04 3.08 -0.99 -2.83 114.38 114.50 1qk1 h ARG 361 Ca -0.01 -0.63 -0.01 0.00 0.07 0.00 0.00 59.98 59.40 1qk1 h ARG 361 Cb 1.29 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.47 1qk1 h ARG 361 CO 0.10 1.24 -0.04 -0.07 -1.07 0.00 0.00 179.97 180.13 1qk1 h LEU 362 N 0.49 0.00 -0.18 3.04 3.38 -1.20 -0.63 115.31 120.21 1qk1 h LEU 362 Ca -0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 1qk1 h LEU 362 Cb 1.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.14 1qk1 h LEU 362 CO 0.15 0.04 -0.76 -0.33 0.09 0.00 0.00 178.44 177.63 1qk1 h GLU 363 N 0.00 0.80 -1.00 1.13 5.08 -1.25 -3.10 114.58 116.24 1qk1 h GLU 363 Ca -0.00 -0.64 -0.21 0.00 -1.00 0.00 0.00 59.36 57.51 1qk1 h GLU 363 Cb 0.26 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.51 1qk1 h GLU 363 CO 0.00 1.24 0.27 0.54 -1.00 0.00 0.00 179.01 180.07 1qk1 n ARG 364 N -3.94 1.55 -1.74 2.33 1.74 -0.79 -4.85 116.66 110.96 1qk1 n ARG 364 Ca -0.07 -1.27 -0.13 0.00 -0.77 0.00 0.00 57.85 55.61 1qk1 n ARG 364 Cb 0.74 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.18 0.67 2.08 -0.13 0.00 -1.17 -4.95 105.19 101.51 1qk1 n GLY 365 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.20 0.06 -4.60 1.61 6.02 -0.31 -5.01 117.38 112.95 1qk1 n GLN 366 Ca -0.14 -1.40 -0.30 0.00 -0.01 0.00 0.00 57.00 55.15 1qk1 n GLN 366 Cb 0.50 -0.42 -0.13 0.00 1.02 0.00 0.00 30.24 31.20 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 -3.26 3.49 0.31 1.08 2.15 -1.26 -4.46 116.67 114.73 1qk1 s ASP 367 Ca 0.36 -0.59 0.10 0.00 0.43 0.00 0.00 52.55 52.85 1qk1 s ASP 367 Cb -0.02 -0.39 -0.05 0.00 -0.30 0.00 0.00 42.92 42.16 1qk1 s ASP 367 CO 0.24 0.22 -0.05 0.27 -0.17 0.00 0.00 175.17 175.68 1qk1 s ILE 368 N -0.96 2.72 0.08 4.11 -4.36 -1.26 -4.99 121.20 116.54 1qk1 s ILE 368 Ca 0.14 -2.09 0.07 0.00 -0.26 0.00 0.00 60.65 58.52 1qk1 s ILE 368 Cb -0.10 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 1qk1 s ILE 368 CO 0.05 -0.28 -0.13 -0.13 0.24 0.00 0.00 174.94 174.69 1qk1 s ARG 369 N -3.65 2.07 0.09 0.37 0.52 -1.26 -5.09 118.95 112.00 1qk1 s ARG 369 Ca 0.33 -1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 54.21 1qk1 s ARG 369 Cb -0.02 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.13 1qk1 s ARG 369 CO 0.18 0.52 1.33 0.42 0.02 0.00 0.00 175.30 177.76 1qk1 s ILE 370 N -1.11 3.57 0.61 1.52 -1.09 -1.26 -4.98 121.20 118.46 1qk1 s ILE 370 Ca 0.19 1.12 -0.14 0.00 -2.23 0.00 0.00 60.65 59.58 1qk1 s ILE 370 Cb -0.11 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1qk1 s ILE 370 CO 0.10 0.08 1.05 -2.16 -1.23 0.00 0.00 174.94 172.78 1qk1 s PRO 371 N 1.14 3.29 0.04 2.79 0.04 -1.26 -4.99 135.00 136.06 1qk1 s PRO 371 Ca 0.63 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 1qk1 s PRO 371 Cb -0.34 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1qk1 s PRO 371 CO 0.30 -0.82 1.21 -0.08 0.04 0.00 0.00 177.00 177.65 1qk1 s THR 372 N -2.66 4.04 0.02 1.26 -1.32 -1.26 -4.92 115.64 110.81 1qk1 s THR 372 Ca 0.61 1.45 -0.39 0.00 -1.21 0.00 0.00 61.69 62.15 1qk1 s THR 372 Cb -0.15 -3.93 -0.19 0.00 -1.51 0.00 0.00 72.50 66.72 1qk1 s THR 372 CO 0.42 0.09 1.16 -2.65 -2.21 0.00 0.00 174.62 171.42 1qk1 n PRO 373 N 4.19 0.35 -1.78 7.08 -0.02 -1.26 -4.79 135.00 138.76 1qk1 n PRO 373 Ca 0.09 0.13 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1qk1 n PRO 373 Cb 0.46 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1qk1 n PRO 373 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qk1 s VAL 374 N 0.17 3.17 0.00 -1.45 1.01 -0.86 -4.88 120.40 117.57 1qk1 s VAL 374 Ca 0.89 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1qk1 s VAL 374 Cb -1.18 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 31.76 1qk1 s VAL 374 CO 0.54 -0.43 0.00 -0.38 0.00 0.00 0.00 175.10 174.83 1qk1 n ILE 375 N 7.69 0.00 -3.35 2.22 5.41 -1.26 -4.86 119.36 125.21 1qk1 n ILE 375 Ca 0.30 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.89 1qk1 n ILE 375 Cb 0.53 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.54 1qk1 n ILE 375 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1qk1 n HIS 376 N -0.24 -2.11 -3.36 1.39 -0.00 -1.26 -5.03 115.22 104.61 1qk1 n HIS 376 Ca 0.00 0.88 0.02 0.00 0.46 0.00 0.00 57.72 59.08 1qk1 n HIS 376 Cb 0.00 -4.85 -0.03 0.00 -0.12 0.00 0.00 29.99 24.99 1qk1 n HIS 376 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1qk1 s THR 377 N -3.33 -0.56 -0.13 3.57 -1.32 -1.26 -5.10 115.64 107.51 1qk1 s THR 377 Ca 0.07 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.38 1qk1 s THR 377 Cb -0.03 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.81 1qk1 s THR 377 CO 0.68 0.00 0.42 0.11 -2.21 0.00 0.00 174.62 173.62 1qk1 h LYS 378 N 7.67 0.00 -0.01 7.08 1.79 -2.05 -3.56 116.57 127.50 1qk1 h LYS 378 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1qk1 h LYS 378 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1qk1 h LYS 378 CO 0.07 0.60 0.00 0.72 -1.08 0.00 0.00 179.45 179.75