#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smq h ASN 27 N 0.00 0.00 0.27 -1.43 4.21 -2.05 -2.38 115.58 114.20 1smq h ASN 27 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1smq h ASN 27 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1smq h ASN 27 CO 0.00 0.00 -0.33 0.11 -1.29 0.00 0.00 177.43 175.92 1smq h LYS 28 N 0.00 -0.59 -0.60 0.81 1.79 -2.05 0.22 116.57 116.15 1smq h LYS 28 Ca 0.00 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1smq h LYS 28 Cb 0.17 0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.89 1smq h LYS 28 CO 0.00 -0.39 0.26 1.49 -1.08 0.00 0.00 179.45 179.73 1smq h GLU 29 N -0.61 0.46 -0.66 3.15 4.81 -1.86 0.11 114.58 119.98 1smq h GLU 29 Ca -0.03 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.30 1smq h GLU 29 Cb 0.55 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.72 1smq h GLU 29 CO -0.07 0.31 0.12 1.25 -0.73 0.00 0.00 179.01 179.88 1smq h LEU 30 N 0.48 -0.05 -0.27 1.64 5.85 -1.50 0.34 115.31 121.80 1smq h LEU 30 Ca 0.29 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 1smq h LEU 30 Cb 0.29 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1smq h LEU 30 CO -0.25 -0.03 0.15 -0.08 -0.34 0.00 0.00 178.44 177.89 1smq h GLU 31 N 0.24 0.37 -0.20 1.25 4.57 0.18 0.14 114.58 121.12 1smq h GLU 31 Ca 0.35 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.53 1smq h GLU 31 Cb 0.57 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1smq h GLU 31 CO -0.47 0.32 -0.06 1.15 -1.18 0.00 0.00 179.01 178.77 1smq h THR 32 N 0.32 0.77 -0.48 0.32 2.02 0.68 0.20 112.91 116.74 1smq h THR 32 Ca 0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.31 1smq h THR 32 Cb 0.06 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1smq h THR 32 CO -0.02 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 176.06 1smq h LEU 33 N -0.02 0.38 -0.77 2.58 3.38 0.01 0.49 115.31 121.37 1smq h LEU 33 Ca 0.10 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1smq h LEU 33 Cb 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1smq h LEU 33 CO -0.22 0.27 -0.21 0.03 0.09 0.00 0.00 178.44 178.40 1smq h ARG 34 N 0.51 0.71 -0.03 1.13 3.08 -0.42 -3.08 114.38 116.27 1smq h ARG 34 Ca 0.20 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1smq h ARG 34 Cb 0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1smq h ARG 34 CO -0.13 0.86 -0.09 1.49 -1.07 0.00 0.00 179.97 181.04 1smq h GLU 35 N 0.62 -0.14 -0.57 0.04 4.57 0.38 0.22 114.58 119.72 1smq h GLU 35 Ca 0.09 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.44 1smq h GLU 35 Cb 0.70 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 1smq h GLU 35 CO 0.05 -0.09 0.48 0.93 -1.18 0.00 0.00 179.01 179.20 1smq h GLU 36 N -0.14 0.00 -0.93 1.92 5.08 -0.86 -0.57 114.58 119.09 1smq h GLU 36 Ca 0.04 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.88 1smq h GLU 36 Cb 0.20 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.03 1smq h GLU 36 CO -0.11 0.00 -0.84 0.09 -1.00 0.00 0.00 179.01 177.15 1smq n ASN 37 N -4.03 4.39 -0.02 1.42 3.02 -0.08 -4.64 115.26 115.32 1smq n ASN 37 Ca 0.11 -3.53 -0.21 0.00 -0.03 0.00 0.00 54.58 50.92 1smq n ASN 37 Cb 0.70 -0.39 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 1smq n ASN 37 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1smq n ARG 38 N -0.61 0.73 0.30 3.52 3.00 0.59 -3.26 116.66 120.94 1smq n ARG 38 Ca 0.38 0.26 -0.16 0.00 -0.00 0.00 0.00 57.85 58.32 1smq n ARG 38 Cb 0.87 -1.68 -0.08 0.00 0.00 0.00 0.00 32.46 31.56 1smq n ARG 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1smq h VAL 39 N 0.00 0.44 -0.95 5.15 2.07 -1.82 -1.98 116.25 119.16 1smq h VAL 39 Ca -0.45 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1smq h VAL 39 Cb 1.98 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1smq h VAL 39 CO 0.04 0.02 0.63 0.50 0.02 0.00 0.00 177.57 178.78 1smq h LYS 40 N -0.82 1.23 0.38 1.57 1.63 -1.87 -1.67 116.57 117.02 1smq h LYS 40 Ca -0.08 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1smq h LYS 40 Cb 0.60 -0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 1smq h LYS 40 CO 0.12 0.82 -0.44 1.03 -3.45 0.00 0.00 179.45 177.53 1smq h SER 41 N 1.27 -1.23 -0.74 4.20 0.87 -1.50 -2.45 113.55 113.97 1smq h SER 41 Ca 0.36 0.10 0.07 0.00 -1.23 0.00 0.00 61.79 61.09 1smq h SER 41 Cb -0.11 0.42 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 1smq h SER 41 CO -0.09 -0.56 0.48 0.44 -0.53 0.00 0.00 176.83 176.58 1smq h ASP 42 N -0.83 0.65 -0.82 6.23 3.45 -1.26 0.46 116.42 124.30 1smq h ASP 42 Ca -0.05 0.01 0.14 0.00 0.43 0.00 0.00 57.03 57.56 1smq h ASP 42 Cb 0.74 -0.13 -0.09 0.00 -0.56 0.00 0.00 39.33 39.28 1smq h ASP 42 CO -0.09 0.41 0.41 -0.03 -1.57 0.00 0.00 179.24 178.37 1smq h MET 43 N 0.74 0.57 0.00 3.56 4.05 -0.91 0.63 114.93 123.57 1smq h MET 43 Ca 0.32 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.69 1smq h MET 43 Cb 0.31 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1smq h MET 43 CO -0.11 0.38 -0.09 -0.07 0.23 0.00 0.00 176.91 177.25 1smq h LEU 44 N 0.58 0.08 -1.36 3.39 3.38 -0.28 -1.88 115.31 119.22 1smq h LEU 44 Ca 0.45 -0.80 0.34 0.00 0.09 0.00 0.00 57.88 57.95 1smq h LEU 44 Cb 0.64 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 1smq h LEU 44 CO -0.37 0.87 0.73 0.50 0.09 0.00 0.00 178.44 180.26 1smq h LYS 45 N -0.71 0.26 0.04 1.13 3.64 0.47 0.62 116.57 122.03 1smq h LYS 45 Ca -0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1smq h LYS 45 Cb 0.88 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1smq h LYS 45 CO 0.02 0.17 -0.02 1.49 -2.27 0.00 0.00 179.45 178.84 1smq h GLU 46 N 0.27 -0.06 0.00 1.90 4.57 0.18 -3.35 114.58 118.08 1smq h GLU 46 Ca 0.69 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.87 1smq h GLU 46 Cb 1.93 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.54 1smq h GLU 46 CO -0.36 0.56 0.17 1.17 -1.18 0.00 0.00 179.01 179.37 1smq n LYS 47 N -4.75 0.02 -0.04 1.92 4.81 0.20 -0.78 118.16 119.54 1smq n LYS 47 Ca -0.08 0.39 -0.21 0.00 -0.87 0.00 0.00 58.31 57.54 1smq n LYS 47 Cb 0.32 -1.74 -0.13 0.00 0.02 0.00 0.00 35.03 33.50 1smq n LYS 47 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1smq h LEU 48 N 0.00 0.25 -0.60 3.14 3.38 -1.06 -3.43 115.31 116.98 1smq h LEU 48 Ca 0.00 -0.76 0.12 0.00 0.09 0.00 0.00 57.88 57.33 1smq h LEU 48 Cb 0.34 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 1smq h LEU 48 CO 0.00 1.64 -0.12 0.77 0.09 0.00 0.00 178.44 180.82 1smq h SER 49 N -0.45 -0.50 -0.05 -0.43 4.64 -1.10 0.19 113.55 115.86 1smq h SER 49 Ca -0.35 0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1smq h SER 49 Cb 1.67 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 64.10 1smq h SER 49 CO -0.03 -0.18 0.04 2.29 -0.87 0.00 0.00 176.83 178.07 1smq n LYS 50 N -5.39 1.07 -0.01 4.77 2.85 -1.25 -1.55 118.16 118.66 1smq n LYS 50 Ca 0.07 -0.15 0.01 0.00 -1.05 0.00 0.00 58.31 57.19 1smq n LYS 50 Cb 0.32 -1.06 -0.05 0.00 -0.65 0.00 0.00 35.03 33.59 1smq n LYS 50 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1smq n ASP 51 N 1.08 3.43 0.19 -5.58 8.00 0.67 -3.03 116.55 121.32 1smq n ASP 51 Ca 0.03 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.59 1smq n ASP 51 Cb 0.52 1.09 0.36 0.00 -0.02 0.00 0.00 41.12 43.07 1smq n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1smq h ALA 52 N 0.52 1.04 0.00 2.24 0.00 -1.42 -2.64 119.26 119.00 1smq h ALA 52 Ca -0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1smq h ALA 52 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1smq h ALA 52 CO 0.00 0.45 -0.76 -1.91 0.00 0.00 0.00 179.25 177.04 1smq n GLU 53 N -3.58 0.48 0.23 0.00 4.07 -1.26 -3.46 120.64 117.12 1smq n GLU 53 Ca -0.00 0.51 0.11 0.00 -0.06 0.00 0.00 57.16 57.71 1smq n GLU 53 Cb 0.49 -1.68 0.39 0.00 -0.06 0.00 0.00 31.44 30.58 1smq n GLU 53 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1smq h ASN 54 N -1.00 0.00 0.03 4.31 -0.26 -1.61 0.45 115.58 117.50 1smq h ASN 54 Ca -0.09 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1smq h ASN 54 Cb 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1smq h ASN 54 CO -0.05 0.00 -0.01 -0.74 -1.06 0.00 0.00 177.43 175.56 1smq h HIS 55 N 0.00 -0.04 -0.86 1.19 2.76 -1.62 -2.46 115.15 114.13 1smq h HIS 55 Ca 0.09 -0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.48 1smq h HIS 55 Cb 1.63 0.01 -0.14 0.00 1.55 0.00 0.00 27.41 30.46 1smq h HIS 55 CO 0.00 0.06 0.16 0.87 -1.30 0.00 0.00 177.93 177.72 1smq h LYS 56 N -1.01 0.16 0.31 5.26 1.57 -0.26 0.63 116.57 123.23 1smq h LYS 56 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1smq h LYS 56 Cb 0.11 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1smq h LYS 56 CO 0.01 0.10 -0.51 0.00 -0.57 0.00 0.00 179.45 178.47 1smq h ALA 57 N 1.78 -1.08 0.17 3.86 0.00 -0.95 -0.48 119.26 122.57 1smq h ALA 57 Ca 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1smq h ALA 57 Cb 1.03 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1smq h ALA 57 CO -0.69 -1.16 -0.38 -0.92 0.00 0.00 0.00 179.25 176.11 1smq h TYR 58 N -0.87 -1.10 -0.63 0.00 3.20 -0.43 -2.70 116.97 114.44 1smq h TYR 58 Ca -0.03 0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1smq h TYR 58 Cb 0.81 0.46 -0.11 0.00 1.54 0.00 0.00 36.73 39.43 1smq h TYR 58 CO -0.36 -0.45 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.63 1smq h LEU 59 N -0.61 -0.31 -0.83 2.82 3.38 -1.20 -1.58 115.31 117.00 1smq h LEU 59 Ca -0.02 0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.32 1smq h LEU 59 Cb 0.58 0.29 -0.13 0.00 0.09 0.00 0.00 40.66 41.48 1smq h LEU 59 CO -0.16 -0.13 0.16 0.50 0.09 0.00 0.00 178.44 178.90 1smq h LYS 60 N 0.11 0.18 -0.28 1.13 1.63 -0.75 0.41 116.57 119.00 1smq h LYS 60 Ca 0.33 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1smq h LYS 60 Cb 0.53 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1smq h LYS 60 CO -0.55 0.12 0.00 -1.13 -3.45 0.00 0.00 179.45 174.44 1smq n SER 61 N -5.25 2.04 0.00 4.20 3.41 -0.62 -3.87 113.62 113.53 1smq n SER 61 Ca 0.18 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1smq n SER 61 Cb 0.60 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1smq n SER 61 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1smq n HIS 62 N 0.58 0.00 -0.33 7.33 8.25 0.04 -4.78 115.22 126.32 1smq n HIS 62 Ca 0.16 -0.35 0.27 0.00 -0.26 0.00 0.00 57.72 57.53 1smq n HIS 62 Cb 0.36 -0.03 0.51 0.00 1.12 0.00 0.00 29.99 31.94 1smq n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1smq h GLN 63 N 0.00 0.13 -0.03 -0.41 4.20 -1.41 0.44 115.11 118.03 1smq h GLN 63 Ca 0.00 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1smq h GLN 63 Cb 0.59 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1smq h GLN 63 CO 0.00 0.09 -0.67 0.28 -0.67 0.00 0.00 178.83 177.86 1smq h VAL 64 N 0.14 1.38 0.23 -0.54 2.07 -1.89 -3.21 116.25 114.42 1smq h VAL 64 Ca 0.77 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1smq h VAL 64 Cb 1.89 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 34.09 1smq h VAL 64 CO -0.71 0.61 -0.11 -0.74 0.02 0.00 0.00 177.57 176.64 1smq h HIS 65 N 0.08 -0.28 0.00 1.57 -0.00 -1.30 -2.92 115.15 112.30 1smq h HIS 65 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1smq h HIS 65 Cb 1.35 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.86 1smq h HIS 65 CO 0.13 -0.01 0.10 0.00 -0.00 0.00 0.00 177.93 178.15 1smq h ARG 66 N -0.54 0.00 -0.10 5.26 3.08 -1.41 0.47 114.38 121.14 1smq h ARG 66 Ca -0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1smq h ARG 66 Cb 0.40 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.45 1smq h ARG 66 CO 0.05 0.00 -0.42 1.25 -1.07 0.00 0.00 179.97 179.78 1smq h HIS 67 N 0.00 0.63 -0.32 3.04 2.76 -1.52 -1.41 115.15 118.34 1smq h HIS 67 Ca 0.00 -0.27 -0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1smq h HIS 67 Cb 0.19 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1smq h HIS 67 CO 0.00 1.03 0.19 0.87 -1.30 0.00 0.00 177.93 178.72 1smq h LYS 68 N 0.05 0.43 0.79 5.26 1.57 -0.84 -0.09 116.57 123.74 1smq h LYS 68 Ca -0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1smq h LYS 68 Cb 1.06 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.29 1smq h LYS 68 CO 0.09 0.33 -0.38 -0.07 -0.57 0.00 0.00 179.45 178.86 1smq h LEU 69 N 0.41 -0.89 -1.88 2.94 3.38 -1.48 0.35 115.31 118.13 1smq h LEU 69 Ca 0.11 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1smq h LEU 69 Cb 0.01 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1smq h LEU 69 CO -0.02 -0.60 0.42 0.50 0.09 0.00 0.00 178.44 178.83 1smq h LYS 70 N -1.14 0.00 0.14 1.13 1.63 -1.24 0.33 116.57 117.41 1smq h LYS 70 Ca -0.11 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.38 1smq h LYS 70 Cb 0.81 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1smq h LYS 70 CO 0.18 0.00 -1.58 1.49 -3.45 0.00 0.00 179.45 176.09 1smq h GLU 71 N 0.00 0.29 0.00 1.90 4.81 -0.56 -3.24 114.58 117.77 1smq h GLU 71 Ca 0.08 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1smq h GLU 71 Cb 0.92 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1smq h GLU 71 CO -0.00 1.16 0.00 0.52 -0.73 0.00 0.00 179.01 179.96 1smq h MET 72 N 0.08 0.00 -0.96 1.92 2.86 0.17 -3.11 114.93 115.88 1smq h MET 72 Ca -0.26 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.61 1smq h MET 72 Cb 2.04 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 33.57 1smq h MET 72 CO 0.17 0.00 0.53 1.49 1.06 0.00 0.00 176.91 180.15 1smq h GLU 73 N 0.00 0.51 0.00 1.72 4.81 -0.59 0.60 114.58 121.63 1smq h GLU 73 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1smq h GLU 73 Cb 0.73 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1smq h GLU 73 CO 0.00 0.34 0.00 1.63 -0.73 0.00 0.00 179.01 180.25 1smq n LYS 74 N -4.93 0.00 0.00 1.92 5.02 -1.18 -1.65 118.16 117.34 1smq n LYS 74 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1smq n LYS 74 Cb 0.70 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1smq n LYS 74 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1smq n GLU 75 N -0.79 1.85 -2.73 1.97 1.02 0.21 -4.90 120.64 117.26 1smq n GLU 75 Ca 0.00 -1.16 -0.42 0.00 -0.02 0.00 0.00 57.16 55.56 1smq n GLU 75 Cb 0.00 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1smq n GLU 75 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1smq s GLU 76 N -0.68 4.40 0.23 3.49 0.41 -0.66 -4.93 118.70 120.97 1smq s GLU 76 Ca 0.00 1.32 -0.08 0.00 -0.41 0.00 0.00 54.97 55.80 1smq s GLU 76 Cb 0.00 -3.55 0.37 0.00 -1.78 0.00 0.00 34.13 29.18 1smq s GLU 76 CO 0.00 -0.31 1.68 -1.35 -0.49 0.00 0.00 175.26 174.78 1smq h PRO 77 N 7.13 0.19 0.00 0.39 0.11 -1.90 0.44 132.00 138.35 1smq h PRO 77 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1smq h PRO 77 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1smq h PRO 77 CO 0.85 0.13 0.26 1.25 -0.21 0.00 0.00 178.00 180.28 1smq h LEU 78 N 0.20 0.00 -2.40 2.35 5.85 -1.91 -1.49 115.31 117.90 1smq h LEU 78 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1smq h LEU 78 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1smq h LEU 78 CO -0.51 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 177.77 1smq n LEU 79 N -2.30 2.73 -3.93 2.25 4.77 0.15 -1.39 117.00 119.28 1smq n LEU 79 Ca -0.01 -1.66 -0.21 0.00 -0.03 0.00 0.00 56.01 54.09 1smq n LEU 79 Cb 0.29 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.04 1smq n LEU 79 CO 0.08 0.64 -0.42 0.20 -1.33 0.00 0.00 177.39 176.56 1smq s ASN 80 N -1.02 1.14 0.17 -1.43 0.01 -0.56 -4.62 114.94 108.63 1smq s ASN 80 Ca 0.23 -0.17 -0.33 0.00 -0.71 0.00 0.00 52.86 51.87 1smq s ASN 80 Cb 0.13 -0.55 -0.14 0.00 0.41 0.00 0.00 41.25 41.11 1smq s ASN 80 CO 0.17 -0.03 1.56 -0.62 -1.51 0.00 0.00 177.10 176.67 1smq n GLU 81 N 3.96 2.15 -2.96 -0.60 1.02 -1.26 -4.83 120.64 118.12 1smq n GLU 81 Ca -0.25 0.77 -0.43 0.00 -0.02 0.00 0.00 57.16 57.24 1smq n GLU 81 Cb 0.51 -2.53 0.01 0.00 -0.02 0.00 0.00 31.44 29.41 1smq n GLU 81 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1smq n ASP 82 N 3.23 6.33 0.00 1.62 2.03 -1.26 -4.87 116.55 123.62 1smq n ASP 82 Ca 0.16 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 52.08 1smq n ASP 82 Cb 0.29 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 1smq n ASP 82 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1smq n LYS 83 N 1.52 0.00 -0.31 -0.67 5.02 -1.26 -0.65 118.16 121.81 1smq n LYS 83 Ca 0.27 0.09 -0.02 0.00 -2.02 0.00 0.00 58.31 56.63 1smq n LYS 83 Cb 0.33 -1.64 0.10 0.00 -0.02 0.00 0.00 35.03 33.80 1smq n LYS 83 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1smq n GLU 84 N -0.92 1.87 -3.68 1.97 2.13 -1.26 -4.75 120.64 116.00 1smq n GLU 84 Ca 0.00 -0.93 -0.12 0.00 0.66 0.00 0.00 57.16 56.77 1smq n GLU 84 Cb 0.14 -1.59 -0.12 0.00 0.27 0.00 0.00 31.44 30.15 1smq n GLU 84 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1smq s ARG 85 N -1.32 0.22 0.00 5.31 3.52 0.18 -4.97 118.95 121.89 1smq s ARG 85 Ca 0.17 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 1smq s ARG 85 Cb 0.13 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1smq s ARG 85 CO 0.04 -0.24 0.00 -2.37 -0.81 0.00 0.00 175.30 171.92 1smq n THR 86 N 5.04 0.00 -0.09 4.11 5.66 -1.26 -4.83 114.28 122.92 1smq n THR 86 Ca -0.12 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1smq n THR 86 Cb 0.51 -0.31 0.11 0.00 -1.55 0.00 0.00 70.33 69.09 1smq n THR 86 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1smq n VAL 87 N -1.27 -0.11 -1.45 1.08 3.14 -1.26 -4.67 118.33 113.80 1smq n VAL 87 Ca 0.00 0.54 -0.15 0.00 -2.96 0.00 0.00 64.34 61.77 1smq n VAL 87 Cb 0.18 -0.83 -0.07 0.00 -1.06 0.00 0.00 33.84 32.06 1smq n VAL 87 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1smq n LEU 88 N -3.87 -1.09 0.00 6.55 -0.00 -1.26 -4.74 117.00 112.59 1smq n LEU 88 Ca 0.08 0.38 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 1smq n LEU 88 Cb 0.26 -2.34 0.00 0.00 -0.00 0.00 0.00 43.42 41.34 1smq n LEU 88 CO -0.01 -0.85 0.00 0.33 -0.00 0.00 0.00 177.39 176.86 1smq n PHE 89 N -2.51 0.00 0.00 1.96 7.35 -1.26 -5.03 117.46 117.97 1smq n PHE 89 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 1smq n PHE 89 Cb 0.53 0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.42 1smq n PHE 89 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1smq n PRO 90 N -1.21 0.00 -2.62 -7.13 -0.02 -1.26 -4.32 135.00 118.44 1smq n PRO 90 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1smq n PRO 90 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 1smq n PRO 90 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1smq s ILE 91 N 0.00 3.86 -0.11 4.25 1.01 -1.26 -4.85 121.20 124.10 1smq s ILE 91 Ca 0.00 0.19 -0.27 0.00 0.00 0.00 0.00 60.65 60.57 1smq s ILE 91 Cb 0.00 -4.87 -0.27 0.00 0.01 0.00 0.00 42.46 37.33 1smq s ILE 91 CO 0.00 -1.78 0.83 0.11 0.00 0.00 0.00 174.94 174.11 1smq h LYS 92 N 9.91 0.07 -2.93 2.79 1.79 -2.03 -3.40 116.57 122.78 1smq h LYS 92 Ca -0.26 -0.11 -0.78 0.00 -2.18 0.00 0.00 60.65 57.32 1smq h LYS 92 Cb 1.05 0.04 -0.30 0.00 -1.58 0.00 0.00 32.23 31.44 1smq h LYS 92 CO 1.26 1.02 0.54 0.66 -1.08 0.00 0.00 179.45 181.85 1smq n TYR 93 N -4.52 2.89 -0.35 -1.35 4.02 -1.26 -4.89 117.16 111.70 1smq n TYR 93 Ca -0.11 -3.01 0.09 0.00 -0.01 0.00 0.00 57.90 54.87 1smq n TYR 93 Cb 0.54 -1.22 0.28 0.00 -0.02 0.00 0.00 39.34 38.91 1smq n TYR 93 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1smq h HIS 94 N 5.46 1.10 -0.72 -0.72 3.86 -1.99 -0.60 115.15 121.53 1smq h HIS 94 Ca 0.20 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1smq h HIS 94 Cb 0.66 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1smq h HIS 94 CO 0.93 0.38 0.41 0.93 0.86 0.00 0.00 177.93 181.44 1smq h GLU 95 N 0.90 0.99 0.38 2.45 3.07 -1.98 0.18 114.58 120.57 1smq h GLU 95 Ca 0.52 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.25 1smq h GLU 95 Cb 0.63 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1smq h GLU 95 CO -0.29 0.73 -0.18 0.82 -1.40 0.00 0.00 179.01 178.68 1smq h ILE 96 N 0.99 0.00 -0.97 3.13 5.03 -1.78 -3.09 117.51 120.83 1smq h ILE 96 Ca 0.26 -0.51 0.10 0.00 -0.12 0.00 0.00 64.86 64.58 1smq h ILE 96 Cb 0.01 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.68 1smq h ILE 96 CO -0.04 0.00 -0.55 1.87 -0.68 0.00 0.00 178.15 178.75 1smq n TRP 97 N -4.78 -0.37 -0.45 1.37 -0.00 -0.30 0.04 117.44 112.95 1smq n TRP 97 Ca -0.06 1.21 0.37 0.00 -0.00 0.00 0.00 57.50 59.02 1smq n TRP 97 Cb 0.20 -0.62 0.67 0.00 -0.00 0.00 0.00 31.31 31.56 1smq n TRP 97 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 177.69 178.06 1smq h GLN 98 N 0.00 0.10 -0.11 5.87 4.15 -0.72 2.24 115.11 126.64 1smq h GLN 98 Ca 0.18 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.41 1smq h GLN 98 Cb 0.42 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1smq h GLN 98 CO -0.92 0.07 -0.70 0.00 -1.93 0.00 0.00 178.83 175.35 1smq h ALA 99 N 1.50 0.57 0.29 3.38 0.00 -0.30 -1.70 119.26 123.00 1smq h ALA 99 Ca 0.78 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1smq h ALA 99 Cb 2.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.30 1smq h ALA 99 CO -0.30 0.73 -0.14 -0.92 0.00 0.00 0.00 179.25 178.62 1smq h TYR 100 N 0.35 -0.36 -0.51 0.00 3.20 0.47 -2.65 116.97 117.48 1smq h TYR 100 Ca -0.03 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1smq h TYR 100 Cb 1.28 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.63 1smq h TYR 100 CO 0.05 -0.11 0.28 0.87 -1.64 0.00 0.00 178.16 177.62 1smq h LYS 101 N -0.58 0.54 -0.40 1.82 1.79 -1.16 0.46 116.57 119.04 1smq h LYS 101 Ca -0.04 -0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.51 1smq h LYS 101 Cb 0.42 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1smq h LYS 101 CO 0.07 0.36 0.30 -0.09 -1.08 0.00 0.00 179.45 179.00 1smq h ARG 102 N 0.56 0.00 0.00 3.15 2.43 -1.30 -0.80 114.38 118.42 1smq h ARG 102 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1smq h ARG 102 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1smq h ARG 102 CO -0.12 0.00 -1.78 0.00 -1.51 0.00 0.00 179.97 176.56 1smq n ALA 103 N -2.59 2.90 0.09 2.80 0.00 -0.19 -4.00 120.51 119.52 1smq n ALA 103 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 1smq n ALA 103 Cb 0.49 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1smq n ALA 103 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1smq h GLU 104 N 0.00 0.05 0.00 0.00 4.81 0.54 -2.98 114.58 117.01 1smq h GLU 104 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1smq h GLU 104 Cb 0.96 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1smq h GLU 104 CO 0.00 0.86 0.00 0.00 -0.73 0.00 0.00 179.01 179.14 1smq n ALA 105 N -2.40 2.31 -0.08 2.92 0.00 -0.37 -3.33 120.51 119.55 1smq n ALA 105 Ca -0.01 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.38 1smq n ALA 105 Cb 0.80 -1.42 0.20 0.00 0.00 0.00 0.00 19.45 19.03 1smq n ALA 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1smq n SER 106 N -1.27 3.20 -4.44 0.00 7.64 -1.12 -5.04 113.62 112.58 1smq n SER 106 Ca 0.13 -1.94 -0.46 0.00 1.01 0.00 0.00 58.87 57.61 1smq n SER 106 Cb 0.20 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 1smq n SER 106 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1smq n PHE 107 N 1.00 -0.24 -3.53 1.43 7.35 -1.21 -4.99 117.46 117.27 1smq n PHE 107 Ca 0.16 0.82 -0.17 0.00 -0.76 0.00 0.00 57.45 57.49 1smq n PHE 107 Cb 0.49 -2.01 -0.06 0.00 0.35 0.00 0.00 39.48 38.25 1smq n PHE 107 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1smq s TRP 108 N -1.16 -0.63 0.40 -5.13 1.48 -1.26 -5.16 118.94 107.49 1smq s TRP 108 Ca 0.62 1.09 0.08 0.00 -1.06 0.00 0.00 56.10 56.82 1smq s TRP 108 Cb -0.80 0.41 -0.05 0.00 -1.16 0.00 0.00 33.47 31.87 1smq s TRP 108 CO 0.58 -0.57 0.16 0.95 -4.06 0.00 0.00 176.95 174.01 1smq s THR 109 N -1.15 2.38 0.14 0.66 -4.23 -1.26 -5.02 115.64 107.16 1smq s THR 109 Ca -0.10 -1.72 0.28 0.00 -1.18 0.00 0.00 61.69 58.97 1smq s THR 109 Cb -0.00 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.17 1smq s THR 109 CO 0.09 -0.03 1.91 0.00 -0.54 0.00 0.00 174.62 176.05 1smq h ALA 110 N 1.47 1.03 -0.02 3.99 0.00 -2.00 -3.10 119.26 120.64 1smq h ALA 110 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1smq h ALA 110 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1smq h ALA 110 CO 0.69 0.15 0.00 0.39 0.00 0.00 0.00 179.25 180.48 1smq n GLU 111 N -3.28 1.11 0.00 0.00 4.71 -1.26 -2.54 120.64 119.38 1smq n GLU 111 Ca 0.00 -0.10 0.07 0.00 -0.01 0.00 0.00 57.16 57.12 1smq n GLU 111 Cb 0.36 -1.31 -0.02 0.00 -1.01 0.00 0.00 31.44 29.46 1smq n GLU 111 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1smq n GLU 112 N -0.17 1.86 -2.74 3.49 1.02 -1.17 -4.91 120.64 118.02 1smq n GLU 112 Ca 0.01 -0.58 -0.43 0.00 -0.02 0.00 0.00 57.16 56.14 1smq n GLU 112 Cb 0.17 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1smq n GLU 112 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1smq s ILE 113 N -1.97 4.34 -0.33 -3.67 1.01 -1.05 -5.00 121.20 114.52 1smq s ILE 113 Ca 0.11 0.83 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 1smq s ILE 113 Cb 0.12 -4.53 0.01 0.00 0.01 0.00 0.00 42.46 38.08 1smq s ILE 113 CO 0.44 -0.98 1.16 -0.62 0.00 0.00 0.00 174.94 174.94 1smq s ASP 114 N 2.47 6.80 -0.65 3.58 -1.08 -1.26 -4.92 116.67 121.61 1smq s ASP 114 Ca 0.40 1.02 0.04 0.00 -0.52 0.00 0.00 52.55 53.49 1smq s ASP 114 Cb -0.09 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.18 1smq s ASP 114 CO 0.27 -1.00 1.20 0.18 0.52 0.00 0.00 175.17 176.34 1smq n LEU 115 N 7.26 5.23 -0.01 -1.34 4.77 -1.26 -3.82 117.00 127.82 1smq n LEU 115 Ca 0.13 -5.51 -0.02 0.00 -0.03 0.00 0.00 56.01 50.58 1smq n LEU 115 Cb 0.47 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1smq n LEU 115 CO 0.62 2.25 -0.14 -1.54 -1.33 0.00 0.00 177.39 177.26 1smq n SER 116 N -0.27 0.48 0.23 -1.43 3.41 -1.26 -4.43 113.62 110.35 1smq n SER 116 Ca 0.37 0.08 0.18 0.00 -0.26 0.00 0.00 58.87 59.23 1smq n SER 116 Cb 0.40 -0.42 0.85 0.00 -0.26 0.00 0.00 64.21 64.78 1smq n SER 116 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1smq h LYS 117 N -0.20 0.00 0.65 4.33 3.64 -2.01 -2.60 116.57 120.38 1smq h LYS 117 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1smq h LYS 117 Cb 0.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1smq h LYS 117 CO 0.00 0.00 -0.49 -0.44 -2.27 0.00 0.00 179.45 176.25 1smq h ASP 118 N 0.00 -1.29 -1.00 4.20 5.19 -1.88 -0.77 116.42 120.87 1smq h ASP 118 Ca 0.08 0.09 0.23 0.00 -0.62 0.00 0.00 57.03 56.81 1smq h ASP 118 Cb 0.64 0.40 -0.09 0.00 0.18 0.00 0.00 39.33 40.45 1smq h ASP 118 CO -0.00 -0.70 0.63 -0.29 -3.12 0.00 0.00 179.24 175.76 1smq h ILE 119 N -1.10 0.61 0.73 0.35 6.09 -1.68 -0.10 117.51 122.41 1smq h ILE 119 Ca -0.09 -0.17 -0.04 0.00 -1.37 0.00 0.00 64.86 63.20 1smq h ILE 119 Cb 0.91 0.07 0.01 0.00 0.47 0.00 0.00 36.82 38.27 1smq h ILE 119 CO 0.03 0.09 -0.35 -0.74 -3.07 0.00 0.00 178.15 174.11 1smq h HIS 120 N 0.50 -0.91 -0.05 2.19 2.76 -1.47 -3.00 115.15 115.17 1smq h HIS 120 Ca 0.56 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.73 1smq h HIS 120 Cb 1.26 0.30 -0.00 0.00 1.55 0.00 0.00 27.41 30.52 1smq h HIS 120 CO -0.00 -0.54 0.12 -0.44 -1.30 0.00 0.00 177.93 175.77 1smq h ASP 121 N -1.18 0.00 0.68 3.26 3.45 0.03 -1.22 116.42 121.44 1smq h ASP 121 Ca -0.10 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.30 1smq h ASP 121 Cb 0.77 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.53 1smq h ASP 121 CO 0.16 0.00 -0.26 -0.25 -1.57 0.00 0.00 179.24 177.32 1smq h TRP 122 N 0.00 0.00 0.00 4.55 2.91 -0.92 -1.17 115.95 121.32 1smq h TRP 122 Ca 0.02 0.00 -0.18 0.00 1.13 0.00 0.00 58.89 59.87 1smq h TRP 122 Cb 0.27 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 1smq h TRP 122 CO 0.00 0.26 -1.67 0.09 -1.03 0.00 0.00 178.44 176.10 1smq n ASN 123 N -3.58 2.86 -0.96 2.65 3.02 -0.55 -4.55 115.26 114.15 1smq n ASN 123 Ca -0.01 -0.03 0.08 0.00 -0.03 0.00 0.00 54.58 54.59 1smq n ASN 123 Cb 0.40 0.28 0.24 0.00 -0.61 0.00 0.00 39.78 40.10 1smq n ASN 123 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1smq n ASN 124 N -2.59 3.75 0.00 6.41 3.02 -0.68 -4.69 115.26 120.48 1smq n ASN 124 Ca -0.18 -2.53 0.00 0.00 -0.03 0.00 0.00 54.58 51.84 1smq n ASN 124 Cb 0.77 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1smq n ASN 124 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1smq n ARG 125 N 0.22 0.00 -3.16 3.52 1.74 -1.10 -4.97 116.66 112.92 1smq n ARG 125 Ca 0.19 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.88 1smq n ARG 125 Cb 0.73 -0.41 -0.05 0.00 -1.02 0.00 0.00 32.46 31.71 1smq n ARG 125 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1smq s MET 126 N -1.00 4.36 0.20 5.56 -1.94 -0.46 -5.06 119.30 120.97 1smq s MET 126 Ca 0.00 0.76 -0.03 0.00 -1.71 0.00 0.00 55.69 54.71 1smq s MET 126 Cb 0.00 -3.38 0.05 0.00 2.01 0.00 0.00 34.83 33.51 1smq s MET 126 CO 0.00 0.27 0.28 0.27 -0.01 0.00 0.00 175.02 175.82 1smq n ASN 127 N 3.09 0.02 -0.10 3.03 0.23 -1.26 -4.73 115.26 115.53 1smq n ASN 127 Ca -0.05 -1.10 -0.11 0.00 -0.53 0.00 0.00 54.58 52.79 1smq n ASN 127 Cb 0.51 -0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 37.97 1smq n ASN 127 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1smq h GLU 128 N 0.00 0.53 -0.83 -3.83 4.57 -1.97 -2.13 114.58 110.91 1smq h GLU 128 Ca -0.09 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 57.99 1smq h GLU 128 Cb 0.25 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.72 1smq h GLU 128 CO 0.06 0.64 0.52 -0.91 -1.18 0.00 0.00 179.01 178.14 1smq h ASN 129 N 0.34 0.83 -0.10 1.04 -0.26 -1.94 -1.84 115.58 113.66 1smq h ASN 129 Ca 0.09 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.78 1smq h ASN 129 Cb 0.39 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1smq h ASN 129 CO 0.01 0.55 -0.16 -0.33 -1.06 0.00 0.00 177.43 176.43 1smq h GLU 130 N 0.97 0.28 -0.00 0.81 5.08 -1.62 -1.89 114.58 118.21 1smq h GLU 130 Ca 0.35 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1smq h GLU 130 Cb 0.11 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1smq h GLU 130 CO -0.15 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.61 1smq h ARG 131 N -0.16 0.00 0.12 2.33 3.08 -1.27 -1.51 114.38 116.97 1smq h ARG 131 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1smq h ARG 131 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1smq h ARG 131 CO 0.04 0.00 -0.06 0.35 -1.07 0.00 0.00 179.97 179.23 1smq h PHE 132 N 0.00 -0.15 -0.92 3.04 3.57 -1.12 -3.09 116.94 118.28 1smq h PHE 132 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1smq h PHE 132 Cb 0.00 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 1smq h PHE 132 CO 0.00 0.08 0.58 0.35 -2.23 0.00 0.00 178.31 177.10 1smq h PHE 133 N -1.01 1.08 -0.27 0.41 3.57 -0.54 -1.27 116.94 118.91 1smq h PHE 133 Ca -0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1smq h PHE 133 Cb 0.30 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1smq h PHE 133 CO 0.05 0.56 -0.23 0.82 -2.23 0.00 0.00 178.31 177.27 1smq h ILE 134 N 1.07 1.31 -0.12 1.41 1.08 -1.48 -1.32 117.51 119.45 1smq h ILE 134 Ca 0.40 -1.39 0.05 0.00 -0.39 0.00 0.00 64.86 63.52 1smq h ILE 134 Cb 0.16 1.60 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 1smq h ILE 134 CO -0.17 0.44 -0.29 0.28 -0.69 0.00 0.00 178.15 177.72 1smq h SER 135 N 0.36 -0.89 -0.55 1.72 0.02 -1.17 -0.38 113.55 112.67 1smq h SER 135 Ca 0.05 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1smq h SER 135 Cb 0.79 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 1smq h SER 135 CO 0.06 -0.33 0.30 -0.09 -1.14 0.00 0.00 176.83 175.63 1smq h ARG 136 N -0.37 0.58 0.00 3.45 9.65 -1.30 -0.13 114.38 126.26 1smq h ARG 136 Ca 0.09 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1smq h ARG 136 Cb 0.51 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1smq h ARG 136 CO -0.32 0.38 -0.02 0.28 2.80 0.00 0.00 179.97 183.09 1smq h VAL 137 N 0.59 0.25 0.05 0.20 2.07 -0.37 0.18 116.25 119.22 1smq h VAL 137 Ca 0.23 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 1smq h VAL 137 Cb 0.09 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1smq h VAL 137 CO -0.13 0.02 -0.40 -0.07 0.02 0.00 0.00 177.57 177.01 1smq h LEU 138 N 0.00 0.26 -1.15 2.57 3.38 0.61 -2.89 115.31 118.08 1smq h LEU 138 Ca -0.00 -0.92 0.13 0.00 0.09 0.00 0.00 57.88 57.18 1smq h LEU 138 Cb 0.11 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 1smq h LEU 138 CO 0.00 1.15 0.60 0.00 0.09 0.00 0.00 178.44 180.29 1smq h ALA 139 N 0.10 1.68 0.34 1.53 0.00 -0.40 0.45 119.26 122.96 1smq h ALA 139 Ca -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1smq h ALA 139 Cb 1.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1smq h ALA 139 CO 0.08 0.07 -0.50 0.74 0.00 0.00 0.00 179.25 179.64 1smq h PHE 140 N 0.84 -1.40 -0.81 0.00 0.05 -0.74 -2.99 116.94 111.89 1smq h PHE 140 Ca 0.47 0.02 0.08 0.00 3.82 0.00 0.00 57.97 62.37 1smq h PHE 140 Cb 0.61 0.57 -0.07 0.00 2.00 0.00 0.00 35.95 39.06 1smq h PHE 140 CO -0.00 -0.63 0.47 0.74 -0.18 0.00 0.00 178.31 178.71 1smq h PHE 141 N -0.88 0.86 0.00 -0.55 0.04 0.05 -2.19 116.94 114.27 1smq h PHE 141 Ca -0.03 0.03 -0.53 0.00 2.80 0.00 0.00 57.97 60.23 1smq h PHE 141 Cb 0.81 -0.27 0.02 0.00 2.20 0.00 0.00 35.95 38.71 1smq h PHE 141 CO -0.32 0.38 3.09 0.00 -0.60 0.00 0.00 178.31 180.86 1smq n ALA 142 N -2.37 6.57 0.22 2.45 0.00 -0.36 -3.54 120.51 123.48 1smq n ALA 142 Ca 0.13 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.67 1smq n ALA 142 Cb 0.24 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1smq n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smq n ALA 143 N 3.66 0.65 -2.10 0.00 0.00 -0.82 -4.93 120.51 116.96 1smq n ALA 143 Ca 0.65 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.68 1smq n ALA 143 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 1smq n ALA 143 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1smq s SER 144 N -2.65 7.52 0.00 0.00 0.15 -1.23 -5.18 113.70 112.31 1smq s SER 144 Ca 0.00 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1smq s SER 144 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1smq s SER 144 CO 0.00 0.03 0.00 1.21 1.20 0.00 0.00 173.24 175.68 1smq n GLU 150 N 2.31 0.00 -0.03 5.44 2.13 -1.26 -5.10 120.64 124.13 1smq n GLU 150 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1smq n GLU 150 Cb 0.49 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.10 1smq n GLU 150 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1smq h ASN 151 N 0.00 0.36 -0.99 4.31 -0.00 -2.00 -1.39 115.58 115.87 1smq h ASN 151 Ca 0.00 -0.66 0.01 0.00 -0.00 0.00 0.00 56.30 55.66 1smq h ASN 151 Cb 0.00 -0.11 -0.05 0.00 -0.00 0.00 0.00 38.32 38.16 1smq h ASN 151 CO 0.00 0.96 0.65 -0.07 -0.00 0.00 0.00 177.43 178.98 1smq h LEU 152 N -0.21 1.13 0.00 0.34 4.07 -2.00 -2.12 115.31 116.52 1smq h LEU 152 Ca -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1smq h LEU 152 Cb 0.96 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1smq h LEU 152 CO 0.06 0.81 -0.02 0.58 -1.08 0.00 0.00 178.44 178.79 1smq h VAL 153 N 1.32 0.00 0.00 1.22 2.07 -1.95 0.12 116.25 119.04 1smq h VAL 153 Ca 0.37 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1smq h VAL 153 Cb -0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.64 1smq h VAL 153 CO -0.09 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.71 1smq n GLU 154 N -2.72 0.15 0.00 1.57 2.13 -0.53 -0.20 120.64 121.05 1smq n GLU 154 Ca -0.00 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1smq n GLU 154 Cb 0.01 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 29.92 1smq n GLU 154 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1smq n ASN 155 N -2.08 3.74 0.02 4.31 5.15 -0.81 -4.82 115.26 120.77 1smq n ASN 155 Ca 0.02 -0.07 -0.01 0.00 -0.60 0.00 0.00 54.58 53.92 1smq n ASN 155 Cb 0.21 0.89 -0.00 0.00 -0.53 0.00 0.00 39.78 40.35 1smq n ASN 155 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1smq n PHE 156 N -1.27 0.00 0.25 1.20 3.01 -1.11 -4.37 117.46 115.18 1smq n PHE 156 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 1smq n PHE 156 Cb 0.00 -0.05 0.66 0.00 -0.01 0.00 0.00 39.48 40.07 1smq n PHE 156 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1smq h SER 157 N -0.08 0.00 0.55 4.37 0.87 0.15 0.42 113.55 119.83 1smq h SER 157 Ca -0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1smq h SER 157 Cb 0.39 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1smq h SER 157 CO -0.01 0.15 -0.26 0.74 -0.53 0.00 0.00 176.83 176.91 1smq h THR 158 N 0.00 0.00 -2.62 2.23 2.02 -0.82 -3.45 112.91 110.27 1smq h THR 158 Ca -0.00 -0.46 -0.28 0.00 0.77 0.00 0.00 66.41 66.44 1smq h THR 158 Cb 0.36 0.00 0.15 0.00 -1.74 0.00 0.00 68.15 66.93 1smq h THR 158 CO 0.02 0.00 -0.03 -0.62 0.37 0.00 0.00 175.52 175.26 1smq n GLU 159 N -5.26 -3.38 -2.13 6.66 1.02 0.14 -4.76 120.64 112.92 1smq n GLU 159 Ca -0.09 -1.16 -0.03 0.00 -0.02 0.00 0.00 57.16 55.86 1smq n GLU 159 Cb 0.29 -1.29 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 1smq n GLU 159 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1smq n VAL 160 N -4.66 -8.62 -0.02 2.62 0.31 -1.25 -4.86 118.33 101.84 1smq n VAL 160 Ca 0.11 1.55 0.05 0.00 -0.01 0.00 0.00 64.34 66.03 1smq n VAL 160 Cb 0.43 -5.32 0.24 0.00 -0.91 0.00 0.00 33.84 28.28 1smq n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1smq n GLN 161 N 0.91 3.14 -4.33 5.55 1.13 -0.49 -4.77 117.38 118.52 1smq n GLN 161 Ca -0.22 -1.90 -0.34 0.00 -1.94 0.00 0.00 57.00 52.60 1smq n GLN 161 Cb 0.34 -1.84 -0.11 0.00 0.11 0.00 0.00 30.24 28.73 1smq n GLN 161 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1smq s ILE 162 N -1.94 4.08 0.32 5.09 -4.36 -1.26 -4.56 121.20 118.57 1smq s ILE 162 Ca 0.33 -0.29 0.03 0.00 -0.26 0.00 0.00 60.65 60.46 1smq s ILE 162 Cb 0.24 -2.79 0.16 0.00 1.25 0.00 0.00 42.46 41.31 1smq s ILE 162 CO 0.12 0.49 1.86 1.55 0.24 0.00 0.00 174.94 179.21 1smq h PRO 163 N 6.60 0.61 -0.68 0.37 0.13 -2.00 -0.72 132.00 136.31 1smq h PRO 163 Ca -0.33 -0.13 0.14 0.00 -0.87 0.00 0.00 66.00 64.81 1smq h PRO 163 Cb 1.19 -0.09 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 1smq h PRO 163 CO 0.64 0.61 0.15 0.93 -0.23 0.00 0.00 178.00 180.09 1smq h GLU 164 N 0.59 0.25 -0.09 0.86 3.07 -1.94 -0.71 114.58 116.61 1smq h GLU 164 Ca 0.13 -0.01 -0.24 0.00 -0.50 0.00 0.00 59.36 58.73 1smq h GLU 164 Cb 0.32 -0.06 0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1smq h GLU 164 CO 0.01 0.16 -0.89 0.00 -1.40 0.00 0.00 179.01 176.89 1smq h ALA 165 N 1.56 0.22 -0.99 3.43 0.00 -1.67 -3.07 119.26 118.75 1smq h ALA 165 Ca 0.37 -0.64 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1smq h ALA 165 Cb 0.61 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1smq h ALA 165 CO -0.48 0.67 0.64 0.87 0.00 0.00 0.00 179.25 180.95 1smq h LYS 166 N 0.47 1.08 0.17 0.00 1.57 -0.44 -0.46 116.57 118.95 1smq h LYS 166 Ca -0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1smq h LYS 166 Cb 1.53 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1smq h LYS 166 CO 0.18 0.71 -0.16 0.77 -0.57 0.00 0.00 179.45 180.38 1smq h SER 167 N 1.11 -0.43 -0.64 0.86 0.02 -1.14 0.11 113.55 113.43 1smq h SER 167 Ca 0.44 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.53 1smq h SER 167 Cb 0.25 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.87 1smq h SER 167 CO -0.19 -0.25 0.25 0.15 -1.14 0.00 0.00 176.83 175.65 1smq h PHE 168 N -0.36 0.43 -0.30 3.45 3.04 -1.15 -1.93 116.94 120.13 1smq h PHE 168 Ca 0.00 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.84 1smq h PHE 168 Cb 0.34 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1smq h PHE 168 CO -0.13 0.10 -0.38 1.88 -2.02 0.00 0.00 178.31 177.76 1smq h TYR 169 N 0.43 0.81 0.24 0.41 0.05 -0.78 0.01 116.97 118.14 1smq h TYR 169 Ca 0.33 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1smq h TYR 169 Cb 0.42 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1smq h TYR 169 CO -0.16 0.96 -0.16 0.78 -1.05 0.00 0.00 178.16 178.53 1smq h GLY 170 N 0.97 -0.40 1.65 3.88 0.00 -0.18 0.78 103.07 109.77 1smq h GLY 170 Ca 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1smq h GLY 170 CO 0.08 -0.16 0.19 -2.75 0.00 0.00 0.00 176.54 173.90 1smq h PHE 171 N -0.39 0.45 -0.48 5.60 3.57 -1.27 -1.14 116.94 123.28 1smq h PHE 171 Ca -0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1smq h PHE 171 Cb 0.33 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1smq h PHE 171 CO -0.10 0.32 0.09 0.37 -2.23 0.00 0.00 178.31 176.77 1smq h GLN 172 N 0.48 0.78 -0.55 1.11 4.15 -0.10 0.24 115.11 121.22 1smq h GLN 172 Ca 0.13 -0.20 -0.11 0.00 0.77 0.00 0.00 58.65 59.23 1smq h GLN 172 Cb 0.01 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1smq h GLN 172 CO -0.02 0.78 -0.08 0.82 -1.93 0.00 0.00 178.83 178.40 1smq h ILE 173 N 0.66 1.27 -0.33 2.39 2.04 -0.05 -1.54 117.51 121.94 1smq h ILE 173 Ca 0.15 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 1smq h ILE 173 Cb 0.37 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1smq h ILE 173 CO 0.01 0.44 -0.01 -0.03 0.00 0.00 0.00 178.15 178.56 1smq h MET 174 N 0.91 0.59 0.00 2.37 4.05 -1.04 -2.74 114.93 119.06 1smq h MET 174 Ca 0.15 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 1smq h MET 174 Cb 0.65 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1smq h MET 174 CO 0.04 0.72 -0.31 0.97 0.23 0.00 0.00 176.91 178.56 1smq h ILE 175 N 0.39 0.71 0.00 1.77 -0.00 -0.48 -2.78 117.51 117.12 1smq h ILE 175 Ca 0.09 -1.40 -0.10 0.00 -0.00 0.00 0.00 64.86 63.46 1smq h ILE 175 Cb 0.46 1.90 -0.01 0.00 -0.00 0.00 0.00 36.82 39.17 1smq h ILE 175 CO 0.02 0.30 -0.48 -0.33 -0.00 0.00 0.00 178.15 177.67 1smq h GLU 176 N 0.00 0.00 0.00 2.19 4.39 -1.18 -2.80 114.58 117.18 1smq h GLU 176 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1smq h GLU 176 Cb 0.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1smq h GLU 176 CO 0.04 0.48 -0.45 -0.91 -1.16 0.00 0.00 179.01 177.00 1smq h ASN 177 N 0.00 0.00 0.39 1.42 -0.26 -1.20 -1.95 115.58 113.98 1smq h ASN 177 Ca -0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.53 1smq h ASN 177 Cb 1.13 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.38 1smq h ASN 177 CO 0.06 0.45 -0.84 0.40 -1.06 0.00 0.00 177.43 176.44 1smq h ILE 178 N 0.00 1.42 0.35 2.81 2.04 -1.49 -2.48 117.51 120.15 1smq h ILE 178 Ca -0.00 -2.39 -0.00 0.00 1.00 0.00 0.00 64.86 63.46 1smq h ILE 178 Cb 1.00 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 1smq h ILE 178 CO 0.06 0.71 -0.29 0.45 0.00 0.00 0.00 178.15 179.08 1smq h HIS 179 N 0.20 -0.76 -0.63 1.37 3.86 -1.19 -0.79 115.15 117.20 1smq h HIS 179 Ca -0.05 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.29 1smq h HIS 179 Cb 1.45 0.29 -0.10 0.00 1.06 0.00 0.00 27.41 30.11 1smq h HIS 179 CO 0.04 -0.42 0.06 1.03 0.86 0.00 0.00 177.93 179.50 1smq h SER 180 N -0.64 -0.17 -0.35 2.45 0.87 -1.30 0.16 113.55 114.57 1smq h SER 180 Ca -0.03 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1smq h SER 180 Cb 0.57 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1smq h SER 180 CO -0.02 -0.08 0.15 -0.08 -0.53 0.00 0.00 176.83 176.27 1smq h GLU 181 N 0.17 0.31 0.11 2.24 4.81 -1.10 -2.99 114.58 118.13 1smq h GLU 181 Ca 0.34 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1smq h GLU 181 Cb 0.55 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1smq h GLU 181 CO -0.50 0.21 -0.45 1.15 -0.73 0.00 0.00 179.01 178.69 1smq h THR 182 N 0.32 0.12 -0.61 0.32 2.02 0.50 0.71 112.91 116.28 1smq h THR 182 Ca 0.15 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.48 1smq h THR 182 Cb 0.09 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1smq h THR 182 CO -0.13 0.00 0.42 1.88 0.37 0.00 0.00 175.52 178.07 1smq h TYR 183 N -0.67 0.21 0.21 3.16 0.05 -1.29 0.10 116.97 118.75 1smq h TYR 183 Ca 0.02 0.01 -0.28 0.00 0.05 0.00 0.00 58.73 58.52 1smq h TYR 183 Cb 0.70 -0.07 0.03 0.00 1.01 0.00 0.00 36.73 38.41 1smq h TYR 183 CO -0.39 0.09 -1.23 0.77 -1.05 0.00 0.00 178.16 176.34 1smq h SER 184 N 0.19 0.71 -0.06 3.88 0.02 -1.24 -1.02 113.55 116.03 1smq h SER 184 Ca 0.29 -0.93 0.04 0.00 -0.84 0.00 0.00 61.79 60.35 1smq h SER 184 Cb 0.90 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.15 1smq h SER 184 CO -0.05 1.60 -0.33 0.25 -1.14 0.00 0.00 176.83 177.15 1smq h LEU 185 N -0.04 -1.01 0.05 5.07 5.85 0.27 0.49 115.31 125.98 1smq h LEU 185 Ca -0.22 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1smq h LEU 185 Cb 1.98 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 43.37 1smq h LEU 185 CO 0.23 -0.38 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.42 1smq h LEU 186 N -0.45 -1.40 -0.56 2.25 4.07 -0.87 0.20 115.31 118.55 1smq h LEU 186 Ca 0.08 0.16 0.11 0.00 0.08 0.00 0.00 57.88 58.31 1smq h LEU 186 Cb 0.56 0.53 -0.11 0.00 1.08 0.00 0.00 40.66 42.73 1smq h LEU 186 CO -0.31 -0.50 -0.13 0.40 -1.08 0.00 0.00 178.44 176.82 1smq h ILE 187 N -0.65 0.44 0.00 1.22 2.04 -0.72 0.08 117.51 119.93 1smq h ILE 187 Ca 0.03 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1smq h ILE 187 Cb 0.70 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1smq h ILE 187 CO -0.30 0.00 0.00 -0.78 0.00 0.00 0.00 178.15 177.07 1smq h ASP 188 N 0.01 0.00 0.06 1.72 1.82 0.11 -1.57 116.42 118.57 1smq h ASP 188 Ca 0.27 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.57 1smq h ASP 188 Cb 0.42 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 1smq h ASP 188 CO -0.57 0.00 -1.93 0.41 -1.61 0.00 0.00 179.24 175.53 1smq n THR 189 N -2.36 1.65 0.07 2.25 -1.04 0.60 -4.54 114.28 110.91 1smq n THR 189 Ca 0.01 -0.45 -0.21 0.00 -2.04 0.00 0.00 64.05 61.35 1smq n THR 189 Cb 0.16 -1.78 -0.13 0.00 -1.82 0.00 0.00 70.33 66.76 1smq n THR 189 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1smq h TYR 190 N -0.33 0.90 -3.38 -1.42 0.99 -1.33 -3.42 116.97 108.98 1smq h TYR 190 Ca -0.46 -0.56 -0.73 0.00 2.00 0.00 0.00 58.73 58.98 1smq h TYR 190 Cb 1.78 -0.07 -0.24 0.00 1.00 0.00 0.00 36.73 39.19 1smq h TYR 190 CO 0.06 1.41 -0.39 0.42 -0.00 0.00 0.00 178.16 179.66 1smq s ILE 191 N -2.94 4.85 -1.50 -2.88 1.01 -0.60 -4.92 121.20 114.23 1smq s ILE 191 Ca -0.11 -1.16 0.22 0.00 0.00 0.00 0.00 60.65 59.61 1smq s ILE 191 Cb 0.05 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 1smq s ILE 191 CO 0.90 -0.53 1.08 0.29 0.00 0.00 0.00 174.94 176.68 1smq n LYS 192 N 5.09 0.58 -3.45 2.79 5.02 -1.26 -4.54 118.16 122.38 1smq n LYS 192 Ca -0.12 -0.46 -0.44 0.00 -2.02 0.00 0.00 58.31 55.28 1smq n LYS 192 Cb 0.44 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1smq n LYS 192 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1smq s ASP 193 N -2.74 6.29 0.62 4.39 2.15 -1.26 -4.90 116.67 121.21 1smq s ASP 193 Ca 0.14 -2.73 0.23 0.00 0.43 0.00 0.00 52.55 50.62 1smq s ASP 193 Cb 0.17 -2.10 0.98 0.00 -0.30 0.00 0.00 42.92 41.68 1smq s ASP 193 CO 0.70 -0.51 1.47 1.55 -0.17 0.00 0.00 175.17 178.21 1smq h PRO 194 N 7.56 0.00 -0.56 4.34 0.13 -1.97 1.33 132.00 142.83 1smq h PRO 194 Ca 0.06 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.28 1smq h PRO 194 Cb 1.01 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.07 1smq h PRO 194 CO 0.75 0.00 0.17 -0.22 -0.23 0.00 0.00 178.00 178.47 1smq h LYS 195 N 0.00 0.32 0.24 0.86 3.64 -1.99 0.17 116.57 119.81 1smq h LYS 195 Ca 0.27 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1smq h LYS 195 Cb 2.05 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1smq h LYS 195 CO -0.00 0.21 -0.11 1.49 -2.27 0.00 0.00 179.45 178.77 1smq h GLU 196 N 0.33 -0.31 -1.62 1.90 4.22 0.13 -3.09 114.58 116.14 1smq h GLU 196 Ca 0.28 0.02 0.50 0.00 0.08 0.00 0.00 59.36 60.24 1smq h GLU 196 Cb 0.36 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.58 1smq h GLU 196 CO -0.31 0.02 1.13 0.45 -2.18 0.00 0.00 179.01 178.11 1smq n SER 197 N -4.99 0.08 -0.00 1.04 2.88 -0.98 0.58 113.62 112.22 1smq n SER 197 Ca -0.07 1.07 -0.10 0.00 -1.33 0.00 0.00 58.87 58.43 1smq n SER 197 Cb 0.24 -0.53 -0.08 0.00 -0.75 0.00 0.00 64.21 63.09 1smq n SER 197 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1smq h GLU 198 N 0.00 -0.10 -0.39 -1.46 4.81 -0.65 -2.58 114.58 114.21 1smq h GLU 198 Ca 0.85 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 60.17 1smq h GLU 198 Cb 3.17 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 32.49 1smq h GLU 198 CO -0.18 0.44 -0.14 0.74 -0.73 0.00 0.00 179.01 179.14 1smq h PHE 199 N -0.90 -0.32 -0.86 0.92 0.05 0.22 -1.49 116.94 114.56 1smq h PHE 199 Ca -0.01 0.04 0.12 0.00 3.82 0.00 0.00 57.97 61.94 1smq h PHE 199 Cb 0.58 0.20 -0.14 0.00 2.00 0.00 0.00 35.95 38.59 1smq h PHE 199 CO 0.13 -0.21 -0.43 1.25 -0.18 0.00 0.00 178.31 178.87 1smq h LEU 200 N -0.05 -1.55 -0.27 1.54 6.46 -0.64 0.34 115.31 121.14 1smq h LEU 200 Ca 0.19 0.29 0.00 0.00 -0.12 0.00 0.00 57.88 58.24 1smq h LEU 200 Cb 0.34 0.76 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1smq h LEU 200 CO -0.43 -0.29 0.00 0.49 -0.62 0.00 0.00 178.44 177.59 1smq n PHE 201 N -5.42 0.61 -0.01 1.25 3.01 -0.74 -3.14 117.46 113.03 1smq n PHE 201 Ca 0.06 0.21 -0.20 0.00 1.01 0.00 0.00 57.45 58.53 1smq n PHE 201 Cb 0.36 -0.84 -0.14 0.00 -0.01 0.00 0.00 39.48 38.85 1smq n PHE 201 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1smq h ASN 202 N 0.00 0.30 -0.10 4.37 2.35 0.52 -3.29 115.58 119.72 1smq h ASN 202 Ca 0.00 -0.85 -0.04 0.00 -0.55 0.00 0.00 56.30 54.86 1smq h ASN 202 Cb 0.49 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1smq h ASN 202 CO 0.00 1.47 0.06 0.00 -1.65 0.00 0.00 177.43 177.30 1smq n ALA 203 N -2.91 2.80 0.00 -0.83 0.00 0.28 -2.88 120.51 116.96 1smq n ALA 203 Ca -0.21 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1smq n ALA 203 Cb 0.80 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1smq n ALA 203 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1smq n ILE 204 N 0.25 0.00 -1.44 0.00 0.13 -1.19 -4.68 119.36 112.43 1smq n ILE 204 Ca 0.06 -0.17 -0.17 0.00 -1.10 0.00 0.00 62.75 61.37 1smq n ILE 204 Cb 0.56 0.65 0.15 0.00 -0.84 0.00 0.00 39.64 40.17 1smq n ILE 204 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 1smq n HIS 205 N -1.03 2.18 -0.35 9.51 -0.00 -1.14 -3.88 115.22 120.50 1smq n HIS 205 Ca 0.00 -1.99 0.00 0.00 0.46 0.00 0.00 57.72 56.19 1smq n HIS 205 Cb 0.00 -0.76 0.00 0.00 -0.12 0.00 0.00 29.99 29.11 1smq n HIS 205 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1smq n THR 206 N -1.05 0.12 -2.33 3.57 -2.24 -1.26 -5.01 114.28 106.08 1smq n THR 206 Ca 0.47 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 1smq n THR 206 Cb 1.15 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 70.58 1smq n THR 206 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1smq s ILE 207 N -0.12 3.96 0.30 2.28 1.01 -1.25 -4.88 121.20 122.50 1smq s ILE 207 Ca 0.00 1.05 0.24 0.00 0.00 0.00 0.00 60.65 61.94 1smq s ILE 207 Cb 0.00 -4.07 0.24 0.00 0.01 0.00 0.00 42.46 38.64 1smq s ILE 207 CO 0.00 -0.53 1.69 -0.65 0.00 0.00 0.00 174.94 175.45 1smq h PRO 208 N 10.13 0.00 -0.40 2.79 0.11 -1.94 -1.76 132.00 140.93 1smq h PRO 208 Ca -0.28 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 1smq h PRO 208 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1smq h PRO 208 CO 1.04 0.00 -0.34 0.93 -0.21 0.00 0.00 178.00 179.43 1smq h GLU 209 N 0.00 0.94 -0.17 1.05 3.07 -1.93 -1.77 114.58 115.76 1smq h GLU 209 Ca 0.00 -0.47 0.04 0.00 -0.50 0.00 0.00 59.36 58.43 1smq h GLU 209 Cb 0.49 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1smq h GLU 209 CO 0.00 1.13 -0.08 0.82 -1.40 0.00 0.00 179.01 179.48 1smq h ILE 210 N 0.76 0.74 -0.02 3.13 2.04 -1.69 0.74 117.51 123.22 1smq h ILE 210 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1smq h ILE 210 Cb 0.93 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1smq h ILE 210 CO 0.09 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.38 1smq h GLY 211 N -0.06 -0.09 0.93 5.37 0.00 -1.65 0.19 103.07 107.76 1smq h GLY 211 Ca 0.09 0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.55 1smq h GLY 211 CO -0.21 -0.10 0.53 0.83 0.00 0.00 0.00 176.54 177.60 1smq h GLU 212 N -0.15 1.02 -0.58 4.80 5.08 -0.70 -0.16 114.58 123.90 1smq h GLU 212 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1smq h GLU 212 Cb 0.20 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1smq h GLU 212 CO -0.10 0.68 0.32 -0.22 -1.00 0.00 0.00 179.01 178.69 1smq h LYS 213 N 1.05 0.80 -0.02 2.33 3.64 0.87 -0.50 116.57 124.75 1smq h LYS 213 Ca 0.32 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1smq h LYS 213 Cb -0.05 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 1smq h LYS 213 CO -0.09 0.60 -0.35 0.00 -2.27 0.00 0.00 179.45 177.33 1smq h ALA 214 N 1.15 -0.52 -0.41 5.00 0.00 0.92 -1.36 119.26 124.04 1smq h ALA 214 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1smq h ALA 214 Cb 0.03 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1smq h ALA 214 CO -0.03 -0.87 0.24 1.49 0.00 0.00 0.00 179.25 180.08 1smq h GLU 215 N -0.50 0.55 -0.90 0.00 4.81 -0.77 -0.86 114.58 116.92 1smq h GLU 215 Ca 0.06 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1smq h GLU 215 Cb 0.59 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1smq h GLU 215 CO -0.30 0.39 0.59 2.35 -0.73 0.00 0.00 179.01 181.31 1smq h TRP 216 N 0.56 1.11 -0.02 0.92 7.01 -0.03 -2.77 115.95 122.73 1smq h TRP 216 Ca 0.15 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.06 1smq h TRP 216 Cb -0.02 -0.37 0.01 0.00 -2.10 0.00 0.00 29.16 26.68 1smq h TRP 216 CO 0.00 0.68 -0.44 0.00 -2.79 0.00 0.00 178.44 175.89 1smq h ALA 217 N 1.45 0.09 -0.02 2.65 0.00 -0.40 -3.08 119.26 119.95 1smq h ALA 217 Ca 0.34 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1smq h ALA 217 Cb -0.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1smq h ALA 217 CO -0.08 0.25 0.03 1.25 0.00 0.00 0.00 179.25 180.70 1smq h LEU 218 N -0.20 0.00 0.46 0.00 6.46 -1.30 0.35 115.31 121.08 1smq h LEU 218 Ca -0.05 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1smq h LEU 218 Cb 1.15 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1smq h LEU 218 CO 0.09 0.00 -0.22 -0.09 -0.62 0.00 0.00 178.44 177.60 1smq h ARG 219 N 0.00 -0.60 0.00 1.25 2.43 -1.47 -2.84 114.38 113.15 1smq h ARG 219 Ca 0.01 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1smq h ARG 219 Cb 0.07 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1smq h ARG 219 CO -0.00 -0.40 -1.77 0.91 -1.51 0.00 0.00 179.97 177.20 1smq n TRP 220 N -5.02 0.27 -0.02 2.20 7.02 -1.12 -4.63 117.44 116.13 1smq n TRP 220 Ca -0.08 0.08 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1smq n TRP 220 Cb 0.24 -0.66 -0.01 0.00 -2.42 0.00 0.00 31.31 28.46 1smq n TRP 220 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1smq n ILE 221 N -2.41 1.30 0.32 -0.99 5.41 0.12 -4.47 119.36 118.63 1smq n ILE 221 Ca -0.05 0.27 0.15 0.00 1.00 0.00 0.00 62.75 64.12 1smq n ILE 221 Cb 0.61 -1.94 0.66 0.00 -0.71 0.00 0.00 39.64 38.26 1smq n ILE 221 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1smq h GLN 222 N -0.48 0.00 -6.62 0.38 4.20 -1.54 -3.44 115.11 107.62 1smq h GLN 222 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1smq h GLN 222 Cb 0.48 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1smq h GLN 222 CO 0.00 0.00 0.32 0.34 -0.67 0.00 0.00 178.83 178.82 1smq s ASP 223 N -4.82 7.53 0.93 1.46 2.15 -1.07 -5.02 116.67 117.83 1smq s ASP 223 Ca 0.01 1.82 -0.13 0.00 0.43 0.00 0.00 52.55 54.68 1smq s ASP 223 Cb 0.09 -2.58 0.15 0.00 -0.30 0.00 0.00 42.92 40.29 1smq s ASP 223 CO 0.42 0.06 1.17 0.00 -0.17 0.00 0.00 175.17 176.65 1smq s ALA 224 N -0.61 1.85 -1.52 3.66 0.00 -1.26 -3.72 121.76 120.16 1smq s ALA 224 Ca 0.43 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 1smq s ALA 224 Cb -0.24 -2.97 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1smq s ALA 224 CO 0.30 -2.35 0.98 -3.47 0.00 0.00 0.00 175.76 171.22 1smq n ASP 225 N -3.80 -4.65 -4.06 0.00 2.03 -1.26 -4.94 116.55 99.87 1smq n ASP 225 Ca 0.09 -0.78 -0.34 0.00 0.52 0.00 0.00 54.79 54.28 1smq n ASP 225 Cb 0.60 -3.92 -0.12 0.00 -0.72 0.00 0.00 41.12 36.96 1smq n ASP 225 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1smq s ALA 226 N -3.32 3.36 0.21 -1.67 0.00 -1.24 -5.06 121.76 114.03 1smq s ALA 226 Ca 0.63 -3.05 -0.23 0.00 0.00 0.00 0.00 51.96 49.31 1smq s ALA 226 Cb -0.31 -2.41 -0.14 0.00 0.00 0.00 0.00 23.12 20.25 1smq s ALA 226 CO 0.83 -1.98 0.38 1.28 0.00 0.00 0.00 175.76 176.26 1smq n LEU 227 N 3.69 -1.35 -0.02 0.00 4.77 -1.26 -4.72 117.00 118.12 1smq n LEU 227 Ca 0.05 0.92 -0.09 0.00 -0.03 0.00 0.00 56.01 56.86 1smq n LEU 227 Cb 0.38 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1smq n LEU 227 CO 0.32 -2.78 0.71 0.15 -1.33 0.00 0.00 177.39 174.46 1smq h PHE 228 N 0.75 -0.61 -0.71 -1.77 3.57 -1.98 -1.53 116.94 114.66 1smq h PHE 228 Ca -0.26 0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.47 1smq h PHE 228 Cb 1.24 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 40.24 1smq h PHE 228 CO 0.34 -0.31 0.50 0.78 -2.23 0.00 0.00 178.31 177.39 1smq h GLY 229 N -0.27 0.12 1.46 2.40 0.00 -1.89 0.92 103.07 105.81 1smq h GLY 229 Ca 0.11 -0.03 -0.24 0.00 0.00 0.00 0.00 47.33 47.18 1smq h GLY 229 CO -0.32 0.00 -0.99 0.83 0.00 0.00 0.00 176.54 176.06 1smq h GLU 230 N 0.06 0.48 0.00 4.80 5.08 -1.62 -2.82 114.58 120.55 1smq h GLU 230 Ca 0.34 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1smq h GLU 230 Cb 1.27 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1smq h GLU 230 CO -0.02 1.17 -0.22 0.00 -1.00 0.00 0.00 179.01 178.93 1smq h ARG 231 N 0.26 0.00 -0.24 2.33 3.08 -0.38 -1.46 114.38 117.97 1smq h ARG 231 Ca -0.10 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1smq h ARG 231 Cb 1.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 1smq h ARG 231 CO 0.18 0.22 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.91 1smq h LEU 232 N 0.00 0.70 -0.83 3.04 3.38 -1.00 0.10 115.31 120.70 1smq h LEU 232 Ca -0.00 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 1smq h LEU 232 Cb 0.68 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1smq h LEU 232 CO 0.03 1.06 0.04 0.58 0.09 0.00 0.00 178.44 180.24 1smq h VAL 233 N 0.35 1.25 -0.12 1.22 2.07 -1.21 0.36 116.25 120.18 1smq h VAL 233 Ca 0.03 -1.02 -0.12 0.00 0.82 0.00 0.00 66.70 66.41 1smq h VAL 233 Cb 0.90 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1smq h VAL 233 CO 0.08 0.37 -0.47 0.00 0.02 0.00 0.00 177.57 177.56 1smq h ALA 234 N 1.18 0.98 -0.03 1.67 0.00 -1.15 -2.01 119.26 119.91 1smq h ALA 234 Ca 0.17 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1smq h ALA 234 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1smq h ALA 234 CO 0.02 0.64 -0.10 0.35 0.00 0.00 0.00 179.25 180.15 1smq h PHE 235 N 0.24 0.16 -0.26 0.00 3.57 -0.25 -2.75 116.94 117.66 1smq h PHE 235 Ca 0.01 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1smq h PHE 235 Cb 0.92 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1smq h PHE 235 CO 0.02 0.73 0.18 0.00 -2.23 0.00 0.00 178.31 177.01 1smq h ALA 236 N 0.40 2.12 0.00 2.41 0.00 -0.96 0.23 119.26 123.46 1smq h ALA 236 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1smq h ALA 236 Cb 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1smq h ALA 236 CO 0.02 -0.18 -0.16 0.77 0.00 0.00 0.00 179.25 179.70 1smq h SER 237 N 0.10 0.00 1.10 0.00 0.02 -1.23 0.58 113.55 114.12 1smq h SER 237 Ca 0.12 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.89 1smq h SER 237 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1smq h SER 237 CO -0.01 0.16 -0.93 0.40 -1.14 0.00 0.00 176.83 175.31 1smq h ILE 238 N 0.00 1.30 0.02 3.27 2.04 -0.26 0.23 117.51 124.11 1smq h ILE 238 Ca -0.00 -2.90 -0.36 0.00 1.00 0.00 0.00 64.86 62.60 1smq h ILE 238 Cb 0.64 2.63 -0.06 0.00 -0.74 0.00 0.00 36.82 39.29 1smq h ILE 238 CO 0.02 0.74 -2.24 -0.62 0.00 0.00 0.00 178.15 176.05 1smq n GLU 239 N -3.26 0.68 0.01 2.37 -0.58 -0.99 -4.19 120.64 114.68 1smq n GLU 239 Ca -0.01 0.14 0.11 0.00 -0.42 0.00 0.00 57.16 56.98 1smq n GLU 239 Cb 0.88 -1.60 -0.13 0.00 -0.57 0.00 0.00 31.44 30.02 1smq n GLU 239 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1smq n GLY 240 N 1.92 -1.10 0.31 0.62 0.00 0.20 -4.73 105.19 102.42 1smq n GLY 240 Ca -0.34 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1smq n GLY 240 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1smq n VAL 241 N -2.33 0.00 0.52 1.61 0.31 -0.67 -4.58 118.33 113.20 1smq n VAL 241 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1smq n VAL 241 Cb 0.56 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1smq n VAL 241 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1smq n PHE 242 N -2.50 0.00 -1.73 3.52 3.01 0.73 -2.77 117.46 117.72 1smq n PHE 242 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1smq n PHE 242 Cb 0.42 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 1smq n PHE 242 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1smq n PHE 243 N -0.17 0.00 0.19 1.38 3.72 -1.26 -4.90 117.46 116.42 1smq n PHE 243 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1smq n PHE 243 Cb 0.03 0.17 0.37 0.00 -0.94 0.00 0.00 39.48 39.11 1smq n PHE 243 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1smq h SER 244 N 0.00 0.00 -0.46 4.37 4.64 -1.76 -2.95 113.55 117.39 1smq h SER 244 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1smq h SER 244 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1smq h SER 244 CO 0.00 0.38 0.12 1.23 -0.87 0.00 0.00 176.83 177.69 1smq h GLY 245 N 1.43 0.86 1.46 -0.77 0.00 -1.91 -2.73 103.07 101.41 1smq h GLY 245 Ca -0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 47.33 46.54 1smq h GLY 245 CO 0.05 0.46 -1.27 1.76 0.00 0.00 0.00 176.54 177.54 1smq h SER 246 N 0.77 0.62 0.21 0.19 0.02 -1.92 -2.80 113.55 110.64 1smq h SER 246 Ca 0.17 -0.63 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1smq h SER 246 Cb 0.29 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1smq h SER 246 CO -0.00 1.48 -0.24 -0.26 -1.14 0.00 0.00 176.83 176.67 1smq h PHE 247 N 0.14 -0.62 -0.50 3.45 0.05 -1.42 -1.74 116.94 116.29 1smq h PHE 247 Ca -0.17 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.62 1smq h PHE 247 Cb 1.97 0.25 -0.02 0.00 2.00 0.00 0.00 35.95 40.14 1smq h PHE 247 CO 0.09 -0.34 0.28 0.00 -0.18 0.00 0.00 178.31 178.16 1smq h ALA 248 N 0.21 0.65 -0.70 2.45 0.00 -1.61 -1.22 119.26 119.04 1smq h ALA 248 Ca 0.00 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.01 1smq h ALA 248 Cb 0.47 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1smq h ALA 248 CO -0.07 0.16 0.49 0.66 0.00 0.00 0.00 179.25 180.49 1smq h SER 249 N 0.67 0.14 1.19 0.00 4.64 -1.20 0.23 113.55 119.22 1smq h SER 249 Ca 0.18 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.44 1smq h SER 249 Cb 0.04 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1smq h SER 249 CO -0.03 0.07 -0.85 0.40 -0.87 0.00 0.00 176.83 175.55 1smq h ILE 250 N 0.15 0.32 0.00 0.95 2.04 -0.48 -3.14 117.51 117.34 1smq h ILE 250 Ca 0.34 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1smq h ILE 250 Cb 1.13 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1smq h ILE 250 CO -0.05 0.18 -0.05 -0.26 0.00 0.00 0.00 178.15 177.97 1smq h PHE 251 N 0.00 0.00 -0.15 1.37 -1.00 0.53 -2.82 116.94 114.87 1smq h PHE 251 Ca -0.05 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.63 1smq h PHE 251 Cb 1.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.79 1smq h PHE 251 CO 0.00 0.05 -0.36 2.35 -1.61 0.00 0.00 178.31 178.74 1smq h TRP 252 N 0.00 0.37 0.00 -0.55 2.91 -1.12 -1.97 115.95 115.59 1smq h TRP 252 Ca -0.00 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 1smq h TRP 252 Cb 0.77 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.33 1smq h TRP 252 CO 0.00 0.65 -0.03 -0.07 -1.03 0.00 0.00 178.44 177.96 1smq h LEU 253 N 0.27 0.00 -0.12 0.65 3.38 -1.57 -2.94 115.31 114.98 1smq h LEU 253 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1smq h LEU 253 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1smq h LEU 253 CO 0.06 0.03 -0.20 0.50 0.09 0.00 0.00 178.44 178.92 1smq h LYS 254 N 0.00 0.34 -0.24 1.13 3.64 -1.36 -2.29 116.57 117.79 1smq h LYS 254 Ca -0.00 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1smq h LYS 254 Cb 0.67 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 1smq h LYS 254 CO 0.00 0.80 -0.52 -0.22 -2.27 0.00 0.00 179.45 177.24 1smq h LYS 255 N -0.08 -0.47 -1.56 1.90 3.64 -1.33 0.20 116.57 118.86 1smq h LYS 255 Ca 0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1smq h LYS 255 Cb 0.77 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1smq h LYS 255 CO 0.05 -0.32 0.00 0.54 -2.27 0.00 0.00 179.45 177.45 1smq n ARG 256 N -5.42 0.95 -1.24 1.90 1.74 -1.20 -4.90 116.66 108.49 1smq n ARG 256 Ca -0.04 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 1smq n ARG 256 Cb 0.37 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 1smq n ARG 256 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1smq n GLY 257 N 1.07 0.02 3.58 -0.13 0.00 0.69 -4.97 105.19 105.45 1smq n GLY 257 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1smq n GLY 257 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1smq s MET 258 N -0.32 1.89 -0.65 1.61 -1.94 -0.87 -4.97 119.30 114.05 1smq s MET 258 Ca 0.04 -1.56 -0.14 0.00 -1.71 0.00 0.00 55.69 52.31 1smq s MET 258 Cb -0.00 0.49 0.02 0.00 2.01 0.00 0.00 34.83 37.35 1smq s MET 258 CO 0.08 -0.81 0.27 -1.33 -0.01 0.00 0.00 175.02 173.23 1smq n MET 259 N -0.51 -0.69 -0.31 2.03 2.81 -1.26 -4.61 117.12 114.57 1smq n MET 259 Ca -0.02 -0.18 0.11 0.00 -1.81 0.00 0.00 57.70 55.81 1smq n MET 259 Cb 0.61 -0.97 0.28 0.00 -0.71 0.00 0.00 33.22 32.43 1smq n MET 259 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1smq h PRO 260 N 0.07 0.56 0.13 0.03 0.13 -1.93 0.11 132.00 131.10 1smq h PRO 260 Ca -0.36 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1smq h PRO 260 Cb 0.71 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1smq h PRO 260 CO 0.28 0.37 -0.06 0.78 -0.23 0.00 0.00 178.00 179.14 1smq h GLY 261 N 0.57 -0.18 0.26 1.56 0.00 -1.86 -2.13 103.07 101.30 1smq h GLY 261 Ca 0.53 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.93 1smq h GLY 261 CO -0.43 -0.06 -0.45 -2.00 0.00 0.00 0.00 176.54 173.60 1smq h LEU 262 N -0.51 -1.29 -0.96 3.11 5.85 -1.66 -1.46 115.31 118.39 1smq h LEU 262 Ca -0.02 0.12 0.30 0.00 0.84 0.00 0.00 57.88 59.12 1smq h LEU 262 Cb 0.41 0.45 -0.15 0.00 0.37 0.00 0.00 40.66 41.74 1smq h LEU 262 CO 0.03 -0.53 0.40 0.71 -0.34 0.00 0.00 178.44 178.72 1smq h THR 263 N -0.76 0.24 -0.09 1.05 1.35 -0.83 0.14 112.91 114.02 1smq h THR 263 Ca -0.03 -0.07 -0.01 0.00 -0.55 0.00 0.00 66.41 65.75 1smq h THR 263 Cb 0.70 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1smq h THR 263 CO -0.15 0.04 0.02 0.15 -0.25 0.00 0.00 175.52 175.32 1smq h PHE 264 N 0.21 0.15 0.08 4.73 3.57 -0.63 -1.95 116.94 123.11 1smq h PHE 264 Ca 0.68 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.15 1smq h PHE 264 Cb 1.52 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1smq h PHE 264 CO -0.14 0.35 -0.04 0.66 -2.23 0.00 0.00 178.31 176.91 1smq h SER 265 N -0.09 -0.09 0.00 0.41 4.64 -0.09 -2.22 113.55 116.11 1smq h SER 265 Ca 0.03 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1smq h SER 265 Cb 0.28 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1smq h SER 265 CO 0.00 0.07 0.27 -1.13 -0.87 0.00 0.00 176.83 175.17 1smq h ASN 266 N -0.25 0.00 0.04 4.97 -1.24 -0.75 -0.87 115.58 117.48 1smq h ASN 266 Ca -0.01 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.75 1smq h ASN 266 Cb 0.21 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 1smq h ASN 266 CO 0.02 0.00 -1.34 -0.33 -1.29 0.00 0.00 177.43 174.48 1smq h GLU 267 N 0.00 0.08 -0.70 6.67 5.08 -0.74 -3.16 114.58 121.81 1smq h GLU 267 Ca 0.00 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1smq h GLU 267 Cb 0.55 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1smq h GLU 267 CO 0.00 1.06 0.29 -0.07 -1.00 0.00 0.00 179.01 179.30 1smq h LEU 268 N -0.72 0.95 0.43 1.33 3.38 -0.90 -0.81 115.31 118.96 1smq h LEU 268 Ca -0.34 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1smq h LEU 268 Cb 1.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1smq h LEU 268 CO -0.11 0.85 -0.21 0.40 0.09 0.00 0.00 178.44 179.46 1smq h ILE 269 N 0.99 0.57 0.04 1.22 2.04 -1.38 -1.42 117.51 119.57 1smq h ILE 269 Ca 0.23 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1smq h ILE 269 Cb 0.19 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1smq h ILE 269 CO -0.02 0.04 -0.30 0.00 0.00 0.00 0.00 178.15 177.87 1smq h ARG 271 N -0.47 -0.02 0.43 0.00 2.43 -1.04 -1.29 114.38 114.43 1smq h ARG 271 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1smq h ARG 271 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1smq h ARG 271 CO -0.22 -0.01 -0.39 -0.44 -1.51 0.00 0.00 179.97 177.40 1smq h ASP 272 N -0.02 -1.04 0.00 -3.80 5.19 0.14 -1.67 116.42 115.23 1smq h ASP 272 Ca 0.39 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 1smq h ASP 272 Cb 0.63 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1smq h ASP 272 CO -0.90 -0.53 0.22 -0.33 -3.12 0.00 0.00 179.24 174.58 1smq h GLU 273 N -0.80 0.00 0.02 3.56 4.39 -0.08 0.27 114.58 121.94 1smq h GLU 273 Ca -0.06 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1smq h GLU 273 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1smq h GLU 273 CO -0.02 0.00 -0.59 0.78 -1.16 0.00 0.00 179.01 178.01 1smq h GLY 274 N 0.00 0.04 -0.07 -3.84 0.00 -0.67 -2.00 103.07 96.53 1smq h GLY 274 Ca 0.00 -0.10 0.20 0.00 0.00 0.00 0.00 47.33 47.43 1smq h GLY 274 CO 0.00 0.09 0.42 -2.00 0.00 0.00 0.00 176.54 175.05 1smq h LEU 275 N -0.91 0.40 0.08 3.11 5.85 0.37 0.72 115.31 124.94 1smq h LEU 275 Ca -0.15 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1smq h LEU 275 Cb 1.20 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1smq h LEU 275 CO -0.06 0.07 -0.04 0.45 -0.34 0.00 0.00 178.44 178.52 1smq h HIS 276 N 0.47 -0.09 0.43 1.25 3.86 -1.18 -2.49 115.15 117.40 1smq h HIS 276 Ca 0.54 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.73 1smq h HIS 276 Cb 0.95 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1smq h HIS 276 CO -0.12 0.13 -0.27 1.15 0.86 0.00 0.00 177.93 179.68 1smq h THR 277 N -0.31 0.44 -0.88 2.45 2.02 -0.41 -2.50 112.91 113.71 1smq h THR 277 Ca -0.01 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.40 1smq h THR 277 Cb 0.27 0.44 -0.15 0.00 -1.74 0.00 0.00 68.15 66.97 1smq h THR 277 CO 0.02 0.00 0.16 0.44 0.37 0.00 0.00 175.52 176.51 1smq h ASP 278 N -0.68 -0.15 -0.70 4.18 3.32 -0.95 0.36 116.42 121.80 1smq h ASP 278 Ca -0.05 0.21 0.10 0.00 0.02 0.00 0.00 57.03 57.32 1smq h ASP 278 Cb 0.56 0.32 -0.08 0.00 0.22 0.00 0.00 39.33 40.36 1smq h ASP 278 CO 0.04 -0.21 0.32 0.15 -1.72 0.00 0.00 179.24 177.83 1smq h PHE 279 N 0.14 0.57 -0.26 4.55 3.57 -0.99 -0.14 116.94 124.39 1smq h PHE 279 Ca 0.54 0.03 0.05 0.00 3.53 0.00 0.00 57.97 62.12 1smq h PHE 279 Cb 1.09 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1smq h PHE 279 CO -0.33 0.18 -0.04 0.00 -2.23 0.00 0.00 178.31 175.89 1smq h ALA 280 N 1.45 0.20 0.23 2.41 0.00 -0.76 0.91 119.26 123.69 1smq h ALA 280 Ca 0.35 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1smq h ALA 280 Cb 0.41 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1smq h ALA 280 CO -0.30 -0.45 -0.40 0.00 0.00 0.00 0.00 179.25 178.11 1smq h LEU 282 N -0.71 -0.07 -0.78 0.00 6.46 -0.30 0.19 115.31 120.12 1smq h LEU 282 Ca 0.00 0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.81 1smq h LEU 282 Cb 0.69 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1smq h LEU 282 CO -0.17 -0.11 -0.53 -0.07 -0.62 0.00 0.00 178.44 176.94 1smq h LEU 283 N 0.21 0.25 -0.47 2.25 3.38 0.49 -2.78 115.31 118.64 1smq h LEU 283 Ca 0.47 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1smq h LEU 283 Cb 0.88 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1smq h LEU 283 CO -0.61 0.73 0.23 0.15 0.09 0.00 0.00 178.44 179.04 1smq h PHE 284 N 0.18 0.43 -0.93 1.13 3.57 0.27 -2.06 116.94 119.52 1smq h PHE 284 Ca 0.00 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.72 1smq h PHE 284 Cb 0.99 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.53 1smq h PHE 284 CO 0.02 0.21 0.60 0.00 -2.23 0.00 0.00 178.31 176.91 1smq h ALA 285 N 1.26 2.05 0.00 2.41 0.00 -0.98 0.63 119.26 124.62 1smq h ALA 285 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1smq h ALA 285 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1smq h ALA 285 CO -0.15 -0.35 0.00 0.45 0.00 0.00 0.00 179.25 179.20 1smq h HIS 286 N 0.52 0.00 -3.97 0.00 3.86 -1.36 -3.45 115.15 110.75 1smq h HIS 286 Ca 0.50 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.17 1smq h HIS 286 Cb 1.07 0.00 0.10 0.00 1.06 0.00 0.00 27.41 29.65 1smq h HIS 286 CO -0.00 0.00 0.68 -0.51 0.86 0.00 0.00 177.93 178.96 1smq s LEU 287 N -5.33 4.18 -0.21 2.43 1.02 0.21 -4.84 118.68 116.15 1smq s LEU 287 Ca 0.07 2.84 -0.11 0.00 0.02 0.00 0.00 54.13 56.95 1smq s LEU 287 Cb 0.09 -3.88 -0.19 0.00 0.02 0.00 0.00 46.19 42.23 1smq s LEU 287 CO 0.58 -1.01 0.06 0.29 0.02 0.00 0.00 176.35 176.30 1smq n LYS 288 N 0.03 0.65 -3.35 1.70 5.02 -1.26 -4.65 118.16 116.29 1smq n LYS 288 Ca 0.04 0.34 -0.46 0.00 -2.02 0.00 0.00 58.31 56.20 1smq n LYS 288 Cb 0.42 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1smq n LYS 288 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1smq s ASN 289 N -6.99 6.64 0.46 4.39 0.01 -1.26 -5.05 114.94 113.15 1smq s ASN 289 Ca -0.30 -2.63 -0.12 0.00 -0.71 0.00 0.00 52.86 49.09 1smq s ASN 289 Cb 0.09 -2.19 -0.06 0.00 0.41 0.00 0.00 41.25 39.49 1smq s ASN 289 CO 0.63 -0.58 0.86 -0.54 -1.51 0.00 0.00 177.10 175.96 1smq s LYS 290 N 0.26 3.80 0.96 -0.60 1.02 -1.26 -4.86 119.74 119.06 1smq s LYS 290 Ca 0.17 0.64 -0.12 0.00 0.02 0.00 0.00 55.97 56.68 1smq s LYS 290 Cb -0.12 -2.28 0.17 0.00 -0.52 0.00 0.00 37.83 35.08 1smq s LYS 290 CO -0.08 -0.17 1.09 -2.14 -0.92 0.00 0.00 175.35 173.13 1smq s PRO 291 N -4.10 0.71 -0.04 -1.68 0.02 -1.26 -4.93 135.00 123.72 1smq s PRO 291 Ca 0.54 0.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.22 1smq s PRO 291 Cb -0.10 -1.73 -0.06 0.00 0.02 0.00 0.00 34.50 32.63 1smq s PRO 291 CO 0.34 -2.66 1.59 0.34 -0.33 0.00 0.00 177.00 176.28 1smq s ASP 292 N -3.07 6.70 0.50 2.53 3.68 -1.26 -4.85 116.67 120.91 1smq s ASP 292 Ca 0.65 2.22 0.43 0.00 2.13 0.00 0.00 52.55 57.98 1smq s ASP 292 Cb -0.20 -2.54 1.61 0.00 -1.45 0.00 0.00 42.92 40.33 1smq s ASP 292 CO 0.59 -0.88 1.51 -2.65 0.13 0.00 0.00 175.17 173.87 1smq n PRO 293 N 6.61 -0.01 -0.24 4.34 -0.02 -1.26 0.11 135.00 144.53 1smq n PRO 293 Ca 0.16 1.11 -0.05 0.00 -2.02 0.00 0.00 63.50 62.70 1smq n PRO 293 Cb 0.43 -2.42 0.06 0.00 -0.02 0.00 0.00 33.50 31.55 1smq n PRO 293 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smq h ALA 294 N 1.16 0.87 0.22 3.55 0.00 -1.99 -1.32 119.26 121.74 1smq h ALA 294 Ca 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.75 1smq h ALA 294 Cb 3.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.90 1smq h ALA 294 CO -0.16 0.27 -0.11 0.82 0.00 0.00 0.00 179.25 180.08 1smq h ILE 295 N 0.91 0.85 -0.90 0.00 5.03 0.39 0.34 117.51 124.12 1smq h ILE 295 Ca 0.25 -0.73 0.25 0.00 -0.12 0.00 0.00 64.86 64.52 1smq h ILE 295 Cb -0.08 1.25 -0.15 0.00 -3.03 0.00 0.00 36.82 34.81 1smq h ILE 295 CO -0.06 0.15 0.20 0.58 -0.68 0.00 0.00 178.15 178.34 1smq h VAL 296 N -0.68 0.24 -0.11 1.67 2.07 -1.39 0.24 116.25 118.29 1smq h VAL 296 Ca -0.03 -0.05 -0.20 0.00 0.82 0.00 0.00 66.70 67.24 1smq h VAL 296 Cb 0.48 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1smq h VAL 296 CO 0.05 0.03 -0.75 -0.08 0.02 0.00 0.00 177.57 176.84 1smq h GLU 297 N 0.15 0.55 -0.10 1.57 4.81 -1.08 -3.19 114.58 117.29 1smq h GLU 297 Ca 0.57 -0.44 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 1smq h GLU 297 Cb 1.19 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1smq h GLU 297 CO -0.71 1.07 -0.66 -0.22 -0.73 0.00 0.00 179.01 177.76 1smq h LYS 298 N 0.37 0.41 -0.02 1.92 1.63 0.15 -1.78 116.57 119.24 1smq h LYS 298 Ca -0.04 -0.30 -0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1smq h LYS 298 Cb 1.34 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 33.02 1smq h LYS 298 CO 0.14 0.93 -0.00 0.82 -3.45 0.00 0.00 179.45 177.88 1smq h ILE 299 N 0.29 1.28 0.01 2.00 2.04 -0.76 -1.43 117.51 120.94 1smq h ILE 299 Ca -0.02 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.02 1smq h ILE 299 Cb 1.22 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1smq h ILE 299 CO 0.11 0.22 -0.10 0.58 0.00 0.00 0.00 178.15 178.97 1smq h VAL 300 N -0.30 0.76 -0.55 1.67 2.07 -1.61 -2.53 116.25 115.76 1smq h VAL 300 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1smq h VAL 300 Cb 0.36 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1smq h VAL 300 CO 0.00 0.00 0.22 0.74 0.02 0.00 0.00 177.57 178.55 1smq h THR 301 N -0.17 0.83 0.00 2.57 2.02 -1.31 -0.36 112.91 116.50 1smq h THR 301 Ca 0.03 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1smq h THR 301 Cb 0.21 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1smq h THR 301 CO -0.09 0.08 -0.24 -0.33 0.37 0.00 0.00 175.52 175.30 1smq h GLU 302 N 0.42 0.00 0.74 6.66 5.08 -1.07 -2.60 114.58 123.82 1smq h GLU 302 Ca 0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1smq h GLU 302 Cb 0.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1smq h GLU 302 CO -0.25 0.24 -0.36 0.00 -1.00 0.00 0.00 179.01 177.65 1smq h ALA 303 N 1.76 -1.01 -0.91 3.43 0.00 -0.69 -2.70 119.26 119.12 1smq h ALA 303 Ca -0.00 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.88 1smq h ALA 303 Cb 0.45 0.39 -0.17 0.00 0.00 0.00 0.00 17.79 18.46 1smq h ALA 303 CO 0.03 -0.94 -0.19 0.28 0.00 0.00 0.00 179.25 178.43 1smq h VAL 304 N -1.25 0.09 -0.47 0.00 2.07 -1.02 0.44 116.25 116.12 1smq h VAL 304 Ca -0.10 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1smq h VAL 304 Cb 0.76 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1smq h VAL 304 CO 0.17 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.61 1smq h GLU 305 N 0.01 0.67 -0.03 1.57 5.08 -1.45 0.33 114.58 120.76 1smq h GLU 305 Ca 0.45 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.50 1smq h GLU 305 Cb 0.72 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1smq h GLU 305 CO -0.92 0.56 -0.87 0.82 -1.00 0.00 0.00 179.01 177.60 1smq h ILE 306 N 0.67 1.40 -0.34 3.13 2.04 0.08 -2.38 117.51 122.11 1smq h ILE 306 Ca 0.16 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 63.62 1smq h ILE 306 Cb 0.15 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1smq h ILE 306 CO -0.01 0.71 0.07 -0.08 0.00 0.00 0.00 178.15 178.83 1smq h GLU 307 N 0.24 0.55 -0.57 2.37 4.57 0.11 -2.07 114.58 119.79 1smq h GLU 307 Ca -0.06 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 1smq h GLU 307 Cb 1.49 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1smq h GLU 307 CO 0.15 0.61 0.17 1.96 -1.18 0.00 0.00 179.01 180.72 1smq h GLN 308 N 0.39 0.89 0.00 1.92 4.20 -0.42 -1.63 115.11 120.46 1smq h GLN 308 Ca 0.10 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1smq h GLN 308 Cb 0.32 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1smq h GLN 308 CO 0.00 0.81 0.00 -2.13 -0.67 0.00 0.00 178.83 176.84 1smq n ARG 309 N -4.42 0.08 -0.15 1.46 0.63 -0.90 -1.29 116.66 112.06 1smq n ARG 309 Ca 0.03 0.42 -0.11 0.00 -0.92 0.00 0.00 57.85 57.27 1smq n ARG 309 Cb 0.21 -1.68 0.01 0.00 0.45 0.00 0.00 32.46 31.45 1smq n ARG 309 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1smq h TYR 310 N 0.00 1.12 -0.03 -0.14 -1.99 -0.56 -3.17 116.97 112.20 1smq h TYR 310 Ca 0.00 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.46 1smq h TYR 310 Cb 0.19 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.66 1smq h TYR 310 CO 0.00 1.08 -0.05 1.19 -0.00 0.00 0.00 178.16 180.38 1smq n PHE 311 N -4.11 0.00 -0.21 4.88 0.99 -0.41 -1.92 117.46 116.68 1smq n PHE 311 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.50 1smq n PHE 311 Cb 0.45 -0.00 0.13 0.00 -1.00 0.00 0.00 39.48 39.05 1smq n PHE 311 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1smq n LEU 312 N 0.94 2.77 0.12 4.37 4.77 -0.99 -3.80 117.00 125.18 1smq n LEU 312 Ca 0.14 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 1smq n LEU 312 Cb 0.53 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1smq n LEU 312 CO 0.17 0.68 0.00 -0.67 -1.33 0.00 0.00 177.39 176.23 1smq n ASP 313 N 0.18 -0.03 -0.01 -1.43 4.64 -1.20 -4.56 116.55 114.14 1smq n ASP 313 Ca 0.10 0.39 -0.00 0.00 -1.38 0.00 0.00 54.79 53.90 1smq n ASP 313 Cb 0.42 0.28 -0.00 0.00 -1.04 0.00 0.00 41.12 40.78 1smq n ASP 313 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1smq h ALA 314 N 0.00 0.00 -2.98 -1.67 0.00 -1.54 -3.46 119.26 109.61 1smq h ALA 314 Ca 0.00 -0.11 -0.71 0.00 0.00 0.00 0.00 54.91 54.09 1smq h ALA 314 Cb 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 17.79 17.53 1smq h ALA 314 CO 0.00 0.03 -0.53 -0.51 0.00 0.00 0.00 179.25 178.24 1smq s LEU 315 N -4.84 4.85 -0.15 0.00 1.43 -0.81 -5.01 118.68 114.15 1smq s LEU 315 Ca -0.01 -1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 51.35 1smq s LEU 315 Cb 0.00 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1smq s LEU 315 CO 0.01 -0.46 1.05 -2.84 0.23 0.00 0.00 176.35 174.35 1smq s PRO 316 N 1.37 4.35 0.44 1.29 0.02 -1.25 -4.10 135.00 137.12 1smq s PRO 316 Ca 0.02 1.42 0.29 0.00 0.02 0.00 0.00 61.00 62.75 1smq s PRO 316 Cb -0.22 -3.59 1.56 0.00 0.02 0.00 0.00 34.50 32.27 1smq s PRO 316 CO 0.01 -0.47 1.88 -0.39 -0.33 0.00 0.00 177.00 177.70 1smq h VAL 317 N 5.24 0.00 -0.84 3.83 -1.51 -1.86 0.30 116.25 121.42 1smq h VAL 317 Ca -0.27 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.25 1smq h VAL 317 Cb 1.11 0.64 -0.06 0.00 -2.13 0.00 0.00 31.29 30.86 1smq h VAL 317 CO 0.91 0.00 0.53 0.00 -1.23 0.00 0.00 177.57 177.78 1smq h ALA 318 N 1.96 1.13 -0.44 5.19 0.00 -1.88 0.13 119.26 125.36 1smq h ALA 318 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1smq h ALA 318 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1smq h ALA 318 CO 0.00 0.30 0.93 -0.07 0.00 0.00 0.00 179.25 180.41 1smq h LEU 319 N 0.99 0.00 -3.74 0.00 3.38 -1.23 0.65 115.31 115.35 1smq h LEU 319 Ca 0.35 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.09 1smq h LEU 319 Cb 0.10 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.56 1smq h LEU 319 CO -0.15 0.00 -0.86 -0.11 0.09 0.00 0.00 178.44 177.41 1smq n LEU 320 N -2.97 2.48 -0.21 1.67 0.00 -0.86 -3.73 117.00 113.39 1smq n LEU 320 Ca 0.09 -3.37 -0.03 0.00 0.00 0.00 0.00 56.01 52.71 1smq n LEU 320 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 43.42 44.37 1smq n LEU 320 CO 0.14 1.23 -0.03 0.61 0.00 0.00 0.00 177.39 179.34 1smq n GLY 321 N -0.46 0.60 3.96 -3.96 0.00 0.23 -5.02 105.19 100.54 1smq n GLY 321 Ca 0.18 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1smq n GLY 321 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1smq s MET 322 N -1.84 3.44 -0.52 1.61 -1.94 0.40 -4.94 119.30 115.51 1smq s MET 322 Ca 0.00 -0.69 -0.18 0.00 -1.71 0.00 0.00 55.69 53.11 1smq s MET 322 Cb 0.00 -2.90 0.07 0.00 2.01 0.00 0.00 34.83 34.01 1smq s MET 322 CO 0.00 0.44 0.60 1.21 -0.01 0.00 0.00 175.02 177.26 1smq s ASN 323 N -3.75 6.20 0.40 3.03 2.47 -1.26 -3.02 114.94 119.01 1smq s ASN 323 Ca 0.34 -1.10 0.24 0.00 0.42 0.00 0.00 52.86 52.77 1smq s ASN 323 Cb -0.10 -2.27 1.34 0.00 -1.45 0.00 0.00 41.25 38.77 1smq s ASN 323 CO 0.29 -0.89 1.61 0.00 -3.72 0.00 0.00 177.10 174.39 1smq h ALA 324 N 8.99 2.39 -0.64 1.71 0.00 -1.96 0.65 119.26 130.39 1smq h ALA 324 Ca -0.28 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1smq h ALA 324 Cb 1.10 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1smq h ALA 324 CO 0.98 -1.08 0.16 -0.44 0.00 0.00 0.00 179.25 178.87 1smq h ASP 325 N 0.10 0.94 0.14 0.00 5.19 -1.99 -1.13 116.42 119.66 1smq h ASP 325 Ca 0.82 -0.19 -0.20 0.00 -0.62 0.00 0.00 57.03 56.84 1smq h ASP 325 Cb 2.31 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 41.57 1smq h ASP 325 CO -0.59 0.91 -0.77 -0.07 -3.12 0.00 0.00 179.24 175.61 1smq h LEU 326 N 0.96 0.63 0.68 1.55 3.38 -0.14 -2.13 115.31 120.24 1smq h LEU 326 Ca 0.20 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1smq h LEU 326 Cb 0.33 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1smq h LEU 326 CO -0.00 1.18 -0.33 -0.03 0.09 0.00 0.00 178.44 179.36 1smq h MET 327 N 0.35 -0.88 -0.85 1.13 4.05 -1.06 0.13 114.93 117.80 1smq h MET 327 Ca -0.04 0.06 0.21 0.00 -0.28 0.00 0.00 59.70 59.64 1smq h MET 327 Cb 1.36 0.20 -0.13 0.00 -0.80 0.00 0.00 31.60 32.24 1smq h MET 327 CO 0.14 -0.57 0.30 -0.91 0.23 0.00 0.00 176.91 176.10 1smq h ASN 328 N -0.97 0.16 0.05 1.39 -0.26 -1.25 0.46 115.58 115.17 1smq h ASN 328 Ca -0.09 0.16 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 1smq h ASN 328 Cb 0.72 0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 38.15 1smq h ASN 328 CO 0.15 -0.05 -0.13 -0.61 -1.06 0.00 0.00 177.43 175.73 1smq h GLN 329 N 0.32 0.19 0.17 0.81 4.15 -0.65 -2.59 115.11 117.51 1smq h GLN 329 Ca 0.52 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.89 1smq h GLN 329 Cb 0.98 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1smq h GLN 329 CO -0.56 0.33 -0.08 -0.92 -1.93 0.00 0.00 178.83 175.68 1smq h TYR 330 N 0.18 -0.21 -0.99 3.99 3.20 0.26 -1.16 116.97 122.25 1smq h TYR 330 Ca 0.04 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.15 1smq h TYR 330 Cb 0.36 0.07 -0.12 0.00 1.54 0.00 0.00 36.73 38.57 1smq h TYR 330 CO 0.00 0.22 0.57 0.28 -1.64 0.00 0.00 178.16 177.59 1smq h VAL 331 N -0.78 0.53 -0.52 1.81 2.07 -1.25 0.87 116.25 118.97 1smq h VAL 331 Ca -0.02 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1smq h VAL 331 Cb 0.52 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1smq h VAL 331 CO 0.04 0.10 0.06 -0.33 0.02 0.00 0.00 177.57 177.46 1smq h GLU 332 N 0.56 0.88 0.19 1.57 5.08 -1.38 -1.53 114.58 119.95 1smq h GLU 332 Ca 0.63 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1smq h GLU 332 Cb 1.20 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1smq h GLU 332 CO -0.48 0.88 -0.14 0.35 -1.00 0.00 0.00 179.01 178.61 1smq h PHE 333 N 0.76 -0.38 -0.50 4.33 3.57 0.19 -0.68 116.94 124.23 1smq h PHE 333 Ca 0.15 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1smq h PHE 333 Cb 0.44 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 1smq h PHE 333 CO 0.03 -0.22 0.03 0.28 -2.23 0.00 0.00 178.31 176.20 1smq h VAL 334 N -0.34 0.64 0.22 1.41 2.07 -0.35 0.12 116.25 120.00 1smq h VAL 334 Ca -0.01 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1smq h VAL 334 Cb 0.30 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1smq h VAL 334 CO -0.01 0.03 -0.10 0.00 0.02 0.00 0.00 177.57 177.51 1smq h ALA 335 N 1.43 -0.29 -0.69 1.67 0.00 -1.16 -1.93 119.26 118.29 1smq h ALA 335 Ca 0.25 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1smq h ALA 335 Cb 0.38 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.15 1smq h ALA 335 CO -0.39 -0.60 -0.26 0.22 0.00 0.00 0.00 179.25 178.21 1smq h ASP 336 N -0.41 -0.94 -0.92 0.00 -0.00 -0.44 0.33 116.42 114.04 1smq h ASP 336 Ca -0.03 0.23 0.09 0.00 -0.00 0.00 0.00 57.03 57.32 1smq h ASP 336 Cb 0.31 0.53 -0.07 0.00 -0.00 0.00 0.00 39.33 40.10 1smq h ASP 336 CO 0.05 -0.27 0.56 -0.09 -0.00 0.00 0.00 179.24 179.49 1smq h ARG 337 N -0.07 0.93 -0.24 0.28 2.43 -0.58 -2.08 114.38 115.05 1smq h ARG 337 Ca 0.30 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1smq h ARG 337 Cb 0.55 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1smq h ARG 337 CO -0.74 0.62 -0.04 1.25 -1.51 0.00 0.00 179.97 179.55 1smq h LEU 338 N 0.96 0.45 -0.34 3.80 5.85 0.31 -2.72 115.31 123.61 1smq h LEU 338 Ca 0.43 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1smq h LEU 338 Cb 0.32 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1smq h LEU 338 CO -0.22 0.69 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.27 1smq h LEU 339 N 0.20 -0.73 -1.43 2.25 -0.00 -0.10 0.22 115.31 115.70 1smq h LEU 339 Ca 0.06 0.15 0.06 0.00 -0.00 0.00 0.00 57.88 58.16 1smq h LEU 339 Cb 0.48 0.37 -0.04 0.00 -0.00 0.00 0.00 40.66 41.47 1smq h LEU 339 CO 0.02 -0.25 0.45 0.58 -0.00 0.00 0.00 178.44 179.24 1smq h VAL 340 N -0.18 1.01 0.00 1.22 2.07 -1.40 0.99 116.25 119.96 1smq h VAL 340 Ca 0.17 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1smq h VAL 340 Cb 0.44 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1smq h VAL 340 CO -0.45 0.13 -0.15 0.00 0.02 0.00 0.00 177.57 177.12 1smq h ALA 341 N 1.63 1.64 0.00 1.67 0.00 -0.32 -1.91 119.26 121.97 1smq h ALA 341 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1smq h ALA 341 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1smq h ALA 341 CO -0.09 0.19 -0.57 1.19 0.00 0.00 0.00 179.25 179.97 1smq n PHE 342 N -4.20 0.33 0.00 0.00 0.99 0.25 -4.89 117.46 109.95 1smq n PHE 342 Ca -0.02 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 1smq n PHE 342 Cb 0.23 -0.50 0.00 0.00 -1.00 0.00 0.00 39.48 38.20 1smq n PHE 342 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1smq n GLY 343 N 1.40 1.89 1.05 1.37 0.00 -0.66 -5.00 105.19 105.23 1smq n GLY 343 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1smq n GLY 343 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1smq n ASN 344 N 0.00 -2.20 -4.48 1.61 5.03 -1.01 -4.91 115.26 109.30 1smq n ASN 344 Ca 0.00 -0.44 -0.31 0.00 0.87 0.00 0.00 54.58 54.70 1smq n ASN 344 Cb 0.00 -0.32 -0.12 0.00 -1.02 0.00 0.00 39.78 38.32 1smq n ASN 344 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1smq s LYS 345 N -3.71 2.08 -0.32 3.52 3.01 -1.26 -4.02 119.74 119.04 1smq s LYS 345 Ca 0.22 -0.99 -0.41 0.00 -1.01 0.00 0.00 55.97 53.79 1smq s LYS 345 Cb -0.03 -2.21 -0.16 0.00 -1.01 0.00 0.00 37.83 34.42 1smq s LYS 345 CO 0.18 0.54 1.79 1.63 0.51 0.00 0.00 175.35 179.99 1smq n LYS 346 N 1.41 1.00 -0.03 1.68 5.02 -1.26 -4.82 118.16 121.16 1smq n LYS 346 Ca -0.16 0.36 -0.12 0.00 -2.02 0.00 0.00 58.31 56.37 1smq n LYS 346 Cb 0.52 -2.06 -0.14 0.00 -0.02 0.00 0.00 35.03 33.33 1smq n LYS 346 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1smq n TYR 347 N 5.76 0.84 0.06 2.13 4.19 -1.26 -4.45 117.16 124.43 1smq n TYR 347 Ca 0.29 0.27 -0.21 0.00 3.31 0.00 0.00 57.90 61.56 1smq n TYR 347 Cb 0.11 -1.14 -0.15 0.00 0.49 0.00 0.00 39.34 38.65 1smq n TYR 347 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1smq h TYR 348 N 0.01 0.61 -0.04 2.98 -1.99 -1.88 -3.47 116.97 113.19 1smq h TYR 348 Ca -0.37 -0.45 -0.02 0.00 2.00 0.00 0.00 58.73 59.90 1smq h TYR 348 Cb 2.05 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 40.75 1smq h TYR 348 CO 0.02 1.39 -0.01 1.63 -0.00 0.00 0.00 178.16 181.19 1smq n LYS 349 N -4.02 -1.30 -1.29 4.88 5.02 -1.26 -5.01 118.16 115.17 1smq n LYS 349 Ca -0.16 0.37 -0.30 0.00 -2.02 0.00 0.00 58.31 56.20 1smq n LYS 349 Cb 0.89 -4.37 0.23 0.00 -0.02 0.00 0.00 35.03 31.76 1smq n LYS 349 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1smq s VAL 350 N -1.41 1.70 0.24 -0.18 -7.23 -1.26 -5.09 120.40 107.16 1smq s VAL 350 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.19 1smq s VAL 350 Cb 0.00 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1smq s VAL 350 CO 0.00 0.00 0.04 -1.61 -0.31 0.00 0.00 175.10 173.22 1smq s GLU 351 N -5.53 1.35 -0.65 4.82 2.02 -1.26 -4.83 118.70 114.61 1smq s GLU 351 Ca 0.72 -1.70 -0.26 0.00 0.02 0.00 0.00 54.97 53.75 1smq s GLU 351 Cb -0.08 -0.44 -0.12 0.00 0.10 0.00 0.00 34.13 33.59 1smq s GLU 351 CO 0.55 -0.18 2.43 -1.71 0.02 0.00 0.00 175.26 176.37 1smq n ASN 352 N -0.43 1.84 0.00 -0.19 2.85 -1.26 -4.76 115.26 113.32 1smq n ASN 352 Ca -0.03 -0.81 0.07 0.00 -0.11 0.00 0.00 54.58 53.70 1smq n ASN 352 Cb 0.65 -1.52 0.41 0.00 1.24 0.00 0.00 39.78 40.55 1smq n ASN 352 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1smq n PRO 353 N 8.76 0.66 -4.59 1.20 -0.04 -1.26 -4.67 135.00 135.06 1smq n PRO 353 Ca 0.44 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.68 1smq n PRO 353 Cb 0.45 -1.32 -0.15 0.00 -0.04 0.00 0.00 33.50 32.44 1smq n PRO 353 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1smq s PHE 354 N -2.00 1.20 -0.13 0.54 0.08 -1.26 -5.01 117.98 111.40 1smq s PHE 354 Ca 0.21 -0.26 0.18 0.00 0.12 0.00 0.00 56.93 57.18 1smq s PHE 354 Cb 0.09 -0.79 -0.23 0.00 -0.57 0.00 0.00 43.02 41.52 1smq s PHE 354 CO 0.16 -0.05 0.42 -0.40 -0.10 0.00 0.00 175.22 175.25 1smq n ASP 355 N 2.90 0.34 0.00 1.36 5.75 -1.26 -4.05 116.55 121.60 1smq n ASP 355 Ca -0.15 0.16 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1smq n ASP 355 Cb 0.55 0.82 0.35 0.00 -1.03 0.00 0.00 41.12 41.81 1smq n ASP 355 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1smq n PHE 356 N -2.74 0.00 0.18 2.11 1.16 -1.26 -1.24 117.46 115.67 1smq n PHE 356 Ca -0.19 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.50 1smq n PHE 356 Cb 0.95 -0.48 0.23 0.00 -1.61 0.00 0.00 39.48 38.57 1smq n PHE 356 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 1smq n MET 357 N -1.48 2.55 -0.11 3.97 2.81 -1.26 -4.22 117.12 119.38 1smq n MET 357 Ca 0.04 -2.36 -0.01 0.00 -1.81 0.00 0.00 57.70 53.56 1smq n MET 357 Cb 0.19 -1.52 0.25 0.00 -0.71 0.00 0.00 33.22 31.42 1smq n MET 357 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1smq h GLU 358 N 4.44 0.77 0.00 0.03 4.11 -1.35 -3.51 114.58 119.07 1smq h GLU 358 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1smq h GLU 358 Cb 0.99 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1smq h GLU 358 CO 0.00 0.65 0.00 0.09 0.07 0.00 0.00 179.01 179.82