#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 0.25 -1.43 4.21 -2.05 -2.42 115.58 114.14 1smq h ASN 27 Ca 0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 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 -0.57 -0.63 0.81 1.79 -2.05 0.25 116.57 116.16 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 0.18 0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 1smq h LYS 28 CO 0.00 -0.38 0.30 1.49 -1.08 0.00 0.00 179.45 179.78 1smq h GLU 29 N -0.59 0.53 -0.65 3.15 4.81 -1.87 0.11 114.58 120.06 1smq h GLU 29 Ca -0.03 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1smq h GLU 29 Cb 0.54 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 1smq h GLU 29 CO -0.08 0.35 0.16 1.25 -0.73 0.00 0.00 179.01 179.96 1smq h LEU 30 N 0.54 0.05 -0.25 1.64 5.85 -1.49 0.33 115.31 121.98 1smq h LEU 30 Ca 0.30 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 1smq h LEU 30 Cb 0.29 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1smq h LEU 30 CO -0.24 0.02 0.13 -0.08 -0.34 0.00 0.00 178.44 177.93 1smq h GLU 31 N 0.29 0.35 -0.24 1.25 4.57 0.19 0.13 114.58 121.11 1smq h GLU 31 Ca 0.35 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.53 1smq h GLU 31 Cb 0.54 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 1smq h GLU 31 CO -0.43 0.32 -0.03 1.15 -1.18 0.00 0.00 179.01 178.84 1smq h THR 32 N 0.28 0.79 -0.47 0.32 2.02 0.68 0.16 112.91 116.70 1smq h THR 32 Ca 0.09 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1smq h THR 32 Cb 0.07 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1smq h THR 32 CO -0.01 0.01 0.26 -0.07 0.37 0.00 0.00 175.52 176.07 1smq h LEU 33 N 0.04 0.40 -0.75 2.58 3.38 -0.01 0.37 115.31 121.30 1smq h LEU 33 Ca 0.12 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1smq h LEU 33 Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1smq h LEU 33 CO -0.22 0.28 -0.19 0.03 0.09 0.00 0.00 178.44 178.43 1smq h ARG 34 N 0.51 0.74 -0.04 1.13 3.08 -0.45 -3.09 114.38 116.27 1smq h ARG 34 Ca 0.20 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1smq h ARG 34 Cb 0.06 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1smq h ARG 34 CO -0.11 0.88 -0.11 1.49 -1.07 0.00 0.00 179.97 181.05 1smq h GLU 35 N 0.66 -0.16 -0.58 0.04 4.57 0.25 0.22 114.58 119.58 1smq h GLU 35 Ca 0.10 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.46 1smq h GLU 35 Cb 0.68 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1smq h GLU 35 CO 0.05 -0.10 0.49 0.93 -1.18 0.00 0.00 179.01 179.20 1smq h GLU 36 N -0.16 0.00 -0.93 1.92 5.08 -0.88 -0.55 114.58 119.06 1smq h GLU 36 Ca 0.05 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.90 1smq h GLU 36 Cb 0.23 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.06 1smq h GLU 36 CO -0.14 0.00 -0.85 0.09 -1.00 0.00 0.00 179.01 177.12 1smq n ASN 37 N -4.03 4.34 -0.03 1.42 3.02 -0.11 -4.64 115.26 115.23 1smq n ASN 37 Ca 0.11 -3.51 -0.21 0.00 -0.03 0.00 0.00 54.58 50.95 1smq n ASN 37 Cb 0.72 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.60 -3.27 116.66 120.93 1smq n ARG 38 Ca 0.37 0.26 -0.16 0.00 -0.00 0.00 0.00 57.85 58.31 1smq n ARG 38 Cb 0.86 -1.67 -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 -0.01 0.43 -0.95 5.15 2.07 -1.83 -1.95 116.25 119.17 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 1.97 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1smq h VAL 39 CO 0.04 0.02 0.62 0.50 0.02 0.00 0.00 177.57 178.77 1smq h LYS 40 N -0.83 1.21 0.36 1.57 1.63 -1.87 -1.73 116.57 116.90 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 0.61 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1smq h LYS 40 CO 0.13 0.80 -0.43 1.03 -3.45 0.00 0.00 179.45 177.52 1smq h SER 41 N 1.24 -1.22 -0.75 4.20 0.87 -1.51 -2.02 113.55 114.37 1smq h SER 41 Ca 0.36 0.10 0.07 0.00 -1.23 0.00 0.00 61.79 61.10 1smq h SER 41 Cb -0.08 0.41 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 1smq h SER 41 CO -0.10 -0.55 0.49 0.44 -0.53 0.00 0.00 176.83 176.58 1smq h ASP 42 N -0.81 0.66 -0.98 6.23 3.45 -1.26 0.54 116.42 124.25 1smq h ASP 42 Ca -0.04 0.01 0.13 0.00 0.43 0.00 0.00 57.03 57.55 1smq h ASP 42 Cb 0.72 -0.13 -0.09 0.00 -0.56 0.00 0.00 39.33 39.27 1smq h ASP 42 CO -0.09 0.42 0.60 -0.03 -1.57 0.00 0.00 179.24 178.57 1smq h MET 43 N 0.75 0.89 0.02 3.56 4.05 -0.92 0.52 114.93 123.80 1smq h MET 43 Ca 0.33 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.58 1smq h MET 43 Cb 0.31 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1smq h MET 43 CO -0.11 0.59 -0.44 -0.07 0.23 0.00 0.00 176.91 177.11 1smq h LEU 44 N 0.92 0.36 -1.83 3.39 3.38 0.09 -1.95 115.31 119.67 1smq h LEU 44 Ca 0.50 -0.80 0.19 0.00 0.09 0.00 0.00 57.88 57.85 1smq h LEU 44 Cb 0.54 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1smq h LEU 44 CO -0.29 1.12 0.51 0.50 0.09 0.00 0.00 178.44 180.37 1smq h LYS 45 N -0.36 0.15 0.03 1.13 3.64 0.12 0.42 116.57 121.70 1smq h LYS 45 Ca -0.06 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1smq h LYS 45 Cb 1.20 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1smq h LYS 45 CO 0.09 0.10 -0.32 1.49 -2.27 0.00 0.00 179.45 178.54 1smq h GLU 46 N 0.16 0.16 0.00 1.90 4.57 -0.08 -3.28 114.58 118.00 1smq h GLU 46 Ca 0.36 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1smq h GLU 46 Cb 1.17 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1smq h GLU 46 CO -0.06 1.02 0.00 1.17 -1.18 0.00 0.00 179.01 179.96 1smq n LYS 47 N -4.44 0.09 -0.03 1.92 4.81 0.12 -1.69 118.16 118.93 1smq n LYS 47 Ca -0.11 0.52 -0.22 0.00 -0.87 0.00 0.00 58.31 57.64 1smq n LYS 47 Cb 0.57 -1.75 -0.13 0.00 0.02 0.00 0.00 35.03 33.74 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 0.26 -0.47 3.14 3.38 -0.88 -3.43 115.31 117.30 1smq h LEU 48 Ca 0.00 -0.77 0.09 0.00 0.09 0.00 0.00 57.88 57.29 1smq h LEU 48 Cb 0.08 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1smq h LEU 48 CO 0.00 1.67 -0.32 0.77 0.09 0.00 0.00 178.44 180.65 1smq h SER 49 N -0.41 -1.08 0.00 -0.43 4.64 -1.38 -0.44 113.55 114.44 1smq h SER 49 Ca -0.37 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1smq h SER 49 Cb 1.70 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 64.32 1smq h SER 49 CO -0.03 -0.31 0.00 2.29 -0.87 0.00 0.00 176.83 177.91 1smq n LYS 50 N -5.42 0.85 -0.01 4.77 2.85 -1.25 -1.48 118.16 118.47 1smq n LYS 50 Ca 0.02 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.30 1smq n LYS 50 Cb 0.34 -1.08 -0.05 0.00 -0.65 0.00 0.00 35.03 33.60 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 1.54 3.62 0.19 -5.58 8.00 -0.17 -3.31 116.55 120.82 1smq n ASP 51 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1smq n ASP 51 Cb 0.42 1.08 0.33 0.00 -0.02 0.00 0.00 41.12 42.93 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 0.47 1.00 0.00 2.24 0.00 -1.41 -2.68 119.26 118.87 1smq h ALA 52 Ca -0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1smq h ALA 52 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1smq h ALA 52 CO 0.00 0.47 -0.70 -1.91 0.00 0.00 0.00 179.25 177.12 1smq n GLU 53 N -3.54 0.48 -0.16 0.00 4.07 -1.26 -3.45 120.64 116.78 1smq n GLU 53 Ca -0.00 0.51 0.26 0.00 -0.06 0.00 0.00 57.16 57.87 1smq n GLU 53 Cb 0.51 -1.68 0.48 0.00 -0.06 0.00 0.00 31.44 30.68 1smq n GLU 53 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1smq h ASN 54 N -1.00 0.00 0.06 4.31 -0.73 -1.63 0.45 115.58 117.05 1smq h ASN 54 Ca -0.07 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.10 1smq h ASN 54 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1smq h ASN 54 CO -0.04 0.00 -0.03 -0.74 -0.37 0.00 0.00 177.43 176.25 1smq h HIS 55 N 0.00 -0.08 -0.87 0.67 2.76 -1.62 -2.49 115.15 113.52 1smq h HIS 55 Ca 0.44 -0.00 0.23 0.00 -2.20 0.00 0.00 60.37 58.83 1smq h HIS 55 Cb 2.63 0.03 -0.14 0.00 1.55 0.00 0.00 27.41 31.48 1smq h HIS 55 CO 0.00 0.03 0.17 0.87 -1.30 0.00 0.00 177.93 177.70 1smq h LYS 56 N -1.02 0.16 0.30 5.26 1.57 -0.25 0.45 116.57 123.05 1smq h LYS 56 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1smq h LYS 56 Cb 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1smq h LYS 56 CO 0.01 0.11 -0.53 0.00 -0.57 0.00 0.00 179.45 178.48 1smq h ALA 57 N 1.79 -1.08 0.16 3.86 0.00 -0.98 -0.37 119.26 122.64 1smq h ALA 57 Ca 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1smq h ALA 57 Cb 1.06 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1smq h ALA 57 CO -0.68 -1.16 -0.35 -0.92 0.00 0.00 0.00 179.25 176.13 1smq h TYR 58 N -0.88 -1.01 -0.62 0.00 3.20 -0.48 -2.71 116.97 114.47 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 0.82 0.42 -0.11 0.00 1.54 0.00 0.00 36.73 39.40 1smq h TYR 58 CO -0.36 -0.42 -0.04 -0.07 -1.64 0.00 0.00 178.16 175.63 1smq h LEU 59 N -0.56 -0.35 -0.83 2.82 3.38 -1.23 -1.54 115.31 116.99 1smq h LEU 59 Ca -0.02 0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.33 1smq h LEU 59 Cb 0.54 0.30 -0.14 0.00 0.09 0.00 0.00 40.66 41.45 1smq h LEU 59 CO -0.15 -0.14 0.12 0.50 0.09 0.00 0.00 178.44 178.86 1smq h LYS 60 N 0.08 0.15 -0.30 1.13 1.63 -0.75 0.48 116.57 119.00 1smq h LYS 60 Ca 0.32 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1smq h LYS 60 Cb 0.52 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1smq h LYS 60 CO -0.56 0.10 0.00 -1.13 -3.45 0.00 0.00 179.45 174.41 1smq n SER 61 N -5.29 2.08 0.00 4.20 3.41 -0.61 -3.86 113.62 113.55 1smq n SER 61 Ca 0.18 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 1smq n SER 61 Cb 0.59 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.61 0.00 -0.33 7.33 8.25 0.06 -4.78 115.22 126.37 1smq n HIS 62 Ca 0.15 -0.33 0.25 0.00 -0.26 0.00 0.00 57.72 57.53 1smq n HIS 62 Cb 0.36 -0.03 0.48 0.00 1.12 0.00 0.00 29.99 31.92 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 0.12 -0.08 -0.41 4.20 -1.40 -0.15 115.11 117.40 1smq h GLN 63 Ca 0.00 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1smq h GLN 63 Cb 0.61 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.37 1smq h GLN 63 CO 0.00 0.08 -0.50 0.28 -0.67 0.00 0.00 178.83 178.02 1smq h VAL 64 N 0.13 1.39 0.25 -0.54 2.07 -1.89 -3.20 116.25 114.45 1smq h VAL 64 Ca 0.75 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1smq h VAL 64 Cb 1.81 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1smq h VAL 64 CO -0.73 0.55 -0.12 -0.74 0.02 0.00 0.00 177.57 176.56 1smq h HIS 65 N 0.04 -0.31 0.00 1.57 -0.00 -1.42 -2.92 115.15 112.12 1smq h HIS 65 Ca -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1smq h HIS 65 Cb 1.16 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 1smq h HIS 65 CO 0.12 -0.05 0.08 0.00 -0.00 0.00 0.00 177.93 178.08 1smq h ARG 66 N -0.53 0.00 -0.11 5.26 3.08 -1.41 0.16 114.38 120.83 1smq h ARG 66 Ca -0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1smq h ARG 66 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1smq h ARG 66 CO 0.06 0.00 -0.38 1.25 -1.07 0.00 0.00 179.97 179.83 1smq h HIS 67 N 0.00 0.59 -0.31 3.04 2.76 -1.51 -1.54 115.15 118.18 1smq h HIS 67 Ca 0.00 -0.24 -0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1smq h HIS 67 Cb 0.16 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1smq h HIS 67 CO 0.00 0.99 0.18 0.87 -1.30 0.00 0.00 177.93 178.67 1smq h LYS 68 N 0.02 0.42 0.75 5.26 1.57 -0.89 -0.22 116.57 123.48 1smq h LYS 68 Ca -0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1smq h LYS 68 Cb 1.01 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1smq h LYS 68 CO 0.08 0.33 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.86 1smq h LEU 69 N 0.39 -0.85 -1.76 2.94 3.38 -1.48 0.40 115.31 118.32 1smq h LEU 69 Ca 0.11 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1smq h LEU 69 Cb 0.02 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1smq h LEU 69 CO -0.02 -0.58 0.48 0.50 0.09 0.00 0.00 178.44 178.92 1smq h LYS 70 N -1.07 0.00 0.13 1.13 1.63 -1.27 0.42 116.57 117.53 1smq h LYS 70 Ca -0.10 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.38 1smq h LYS 70 Cb 0.77 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1smq h LYS 70 CO 0.17 0.00 -1.57 1.49 -3.45 0.00 0.00 179.45 176.09 1smq h GLU 71 N 0.00 0.27 0.00 1.90 4.81 -0.56 -3.24 114.58 117.76 1smq h GLU 71 Ca 0.10 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1smq h GLU 71 Cb 1.07 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1smq h GLU 71 CO -0.00 1.14 0.00 0.52 -0.73 0.00 0.00 179.01 179.94 1smq h MET 72 N 0.07 0.00 -0.94 1.92 2.86 0.19 -3.13 114.93 115.90 1smq h MET 72 Ca -0.26 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.62 1smq h MET 72 Cb 2.03 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 33.56 1smq h MET 72 CO 0.16 0.00 0.48 1.49 1.06 0.00 0.00 176.91 180.10 1smq h GLU 73 N 0.00 0.45 0.00 1.72 4.81 -0.55 0.63 114.58 121.65 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 0.75 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1smq h GLU 73 CO 0.00 0.30 0.00 1.63 -0.73 0.00 0.00 179.01 180.21 1smq n LYS 74 N -4.98 0.00 0.00 1.92 5.02 -1.18 -1.58 118.16 117.36 1smq n LYS 74 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1smq n LYS 74 Cb 0.71 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 -0.80 2.02 -2.73 1.97 1.02 0.22 -4.90 120.64 117.44 1smq n GLU 75 Ca 0.00 -1.21 -0.42 0.00 -0.02 0.00 0.00 57.16 55.51 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 -0.72 4.42 0.23 3.49 0.41 -0.61 -4.93 118.70 120.99 1smq s GLU 76 Ca 0.00 1.33 -0.08 0.00 -0.41 0.00 0.00 54.97 55.82 1smq s GLU 76 Cb 0.00 -3.53 0.37 0.00 -1.78 0.00 0.00 34.13 29.19 1smq s GLU 76 CO 0.00 -0.27 1.70 -1.35 -0.49 0.00 0.00 175.26 174.84 1smq h PRO 77 N 7.08 0.26 0.00 0.39 0.11 -1.90 0.37 132.00 138.31 1smq h PRO 77 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1smq h PRO 77 Cb 1.15 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1smq h PRO 77 CO 0.84 0.17 0.26 -0.07 -0.21 0.00 0.00 178.00 178.99 1smq h LEU 78 N 0.27 0.00 -2.53 2.35 3.38 -1.91 -1.52 115.31 115.35 1smq h LEU 78 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1smq h LEU 78 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1smq h LEU 78 CO -0.45 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.26 1smq n LEU 79 N -2.30 2.83 -3.90 1.67 4.77 0.13 -1.01 117.00 119.19 1smq n LEU 79 Ca -0.01 -1.76 -0.20 0.00 -0.03 0.00 0.00 56.01 54.01 1smq n LEU 79 Cb 0.29 -0.20 -0.16 0.00 -2.33 0.00 0.00 43.42 41.01 1smq n LEU 79 CO 0.08 0.68 -0.41 0.20 -1.33 0.00 0.00 177.39 176.61 1smq s ASN 80 N -1.02 0.95 0.17 -1.43 0.01 -0.57 -4.62 114.94 108.44 1smq s ASN 80 Ca 0.24 -0.13 -0.33 0.00 -0.71 0.00 0.00 52.86 51.92 1smq s ASN 80 Cb 0.13 -0.46 -0.14 0.00 0.41 0.00 0.00 41.25 41.20 1smq s ASN 80 CO 0.18 -0.05 1.55 -0.62 -1.51 0.00 0.00 177.10 176.65 1smq n GLU 81 N 4.02 2.13 -2.94 -0.60 1.02 -1.26 -4.81 120.64 118.19 1smq n GLU 81 Ca -0.25 0.77 -0.43 0.00 -0.02 0.00 0.00 57.16 57.23 1smq n GLU 81 Cb 0.51 -2.52 0.01 0.00 -0.02 0.00 0.00 31.44 29.42 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 3.21 6.35 0.00 1.62 2.03 -1.26 -4.87 116.55 123.63 1smq n ASP 82 Ca 0.16 -3.40 0.00 0.00 0.52 0.00 0.00 54.79 52.07 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 1.50 0.00 -0.32 -0.67 5.02 -1.26 -0.67 118.16 121.75 1smq n LYS 83 Ca 0.27 0.08 -0.01 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 -0.90 1.93 -3.70 1.97 2.13 -1.26 -4.77 120.64 116.04 1smq n GLU 84 Ca 0.00 -0.98 -0.11 0.00 0.66 0.00 0.00 57.16 56.73 1smq n GLU 84 Cb 0.14 -1.61 -0.12 0.00 0.27 0.00 0.00 31.44 30.13 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 -1.37 0.31 0.00 5.31 3.52 0.15 -4.95 118.95 121.91 1smq s ARG 85 Ca 0.18 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 1smq s ARG 85 Cb 0.14 -0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1smq s ARG 85 CO 0.04 -0.17 0.00 0.25 -0.81 0.00 0.00 175.30 174.61 1smq n THR 86 N 4.38 0.00 -0.34 4.11 -2.24 -1.26 -4.85 114.28 114.07 1smq n THR 86 Ca -0.22 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 61.79 1smq n THR 86 Cb 0.54 0.18 0.50 0.00 -2.10 0.00 0.00 70.33 69.44 1smq n THR 86 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1smq h VAL 87 N 0.00 0.46 -0.22 2.28 3.04 -1.99 -3.44 116.25 116.38 1smq h VAL 87 Ca 0.00 -0.13 -0.09 0.00 -1.01 0.00 0.00 66.70 65.46 1smq h VAL 87 Cb 0.00 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 29.28 1smq h VAL 87 CO 0.00 0.07 -0.08 -0.11 -1.01 0.00 0.00 177.57 176.44 1smq n LEU 88 N -4.72 0.12 0.00 3.16 -0.00 -1.26 -4.76 117.00 109.54 1smq n LEU 88 Ca 0.28 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1smq n LEU 88 Cb 0.93 -1.92 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 1smq n LEU 88 CO 0.22 -0.69 0.00 0.33 -0.00 0.00 0.00 177.39 177.25 1smq n PHE 89 N -2.42 0.00 0.00 1.96 -0.00 -1.26 -5.00 117.46 110.74 1smq n PHE 89 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 1smq n PHE 89 Cb 0.37 0.21 0.00 0.00 -0.00 0.00 0.00 39.48 40.06 1smq n PHE 89 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1smq n PRO 90 N -2.20 0.00 -2.41 -7.13 -0.02 -1.26 -4.29 135.00 117.70 1smq n PRO 90 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1smq n PRO 90 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 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 3.93 -0.15 4.25 1.01 -1.26 -4.83 121.20 124.15 1smq s ILE 91 Ca 0.00 0.92 -0.17 0.00 0.00 0.00 0.00 60.65 61.40 1smq s ILE 91 Cb 0.00 -4.34 -0.24 0.00 0.01 0.00 0.00 42.46 37.90 1smq s ILE 91 CO 0.00 -0.90 0.39 0.11 0.00 0.00 0.00 174.94 174.54 1smq h LYS 92 N 10.51 0.13 -2.89 2.79 1.79 -2.01 -3.41 116.57 123.47 1smq h LYS 92 Ca -0.26 -0.22 -0.78 0.00 -2.18 0.00 0.00 60.65 57.21 1smq h LYS 92 Cb 1.09 0.08 -0.30 0.00 -1.58 0.00 0.00 32.23 31.52 1smq h LYS 92 CO 1.12 1.11 0.53 0.66 -1.08 0.00 0.00 179.45 181.78 1smq n TYR 93 N -4.10 2.79 -0.21 -1.35 4.02 -1.26 -4.89 117.16 112.16 1smq n TYR 93 Ca -0.28 -2.98 0.01 0.00 -0.01 0.00 0.00 57.90 54.64 1smq n TYR 93 Cb 0.81 -1.20 0.12 0.00 -0.02 0.00 0.00 39.34 39.05 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 5.39 0.32 -0.53 -0.72 3.86 -1.99 -0.53 115.15 120.95 1smq h HIS 94 Ca 0.20 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.52 1smq h HIS 94 Cb 0.65 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 29.01 1smq h HIS 94 CO 0.94 0.03 0.16 1.05 0.86 0.00 0.00 177.93 180.98 1smq h GLU 95 N 0.34 0.32 0.47 2.45 9.09 -1.99 0.39 114.58 125.65 1smq h GLU 95 Ca 0.32 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.69 1smq h GLU 95 Cb 0.45 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1smq h GLU 95 CO -0.36 0.21 -0.23 0.82 0.05 0.00 0.00 179.01 179.50 1smq h ILE 96 N 0.33 0.00 -0.87 -1.06 5.03 -1.78 -2.91 117.51 116.25 1smq h ILE 96 Ca 0.26 -0.17 0.09 0.00 -0.12 0.00 0.00 64.86 64.92 1smq h ILE 96 Cb 0.32 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.00 1smq h ILE 96 CO -0.29 0.00 -0.48 1.87 -0.68 0.00 0.00 178.15 178.57 1smq n TRP 97 N -4.17 -0.30 -0.43 1.37 -0.00 -0.28 0.26 117.44 113.89 1smq n TRP 97 Ca -0.08 1.09 0.36 0.00 -0.00 0.00 0.00 57.50 58.87 1smq n TRP 97 Cb 0.25 -0.63 0.67 0.00 -0.00 0.00 0.00 31.31 31.60 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 0.12 -0.11 5.87 4.15 -0.24 2.21 115.11 127.11 1smq h GLN 98 Ca 0.18 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.40 1smq h GLN 98 Cb 0.39 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1smq h GLN 98 CO -0.83 0.08 -0.70 0.00 -1.93 0.00 0.00 178.83 175.44 1smq h ALA 99 N 1.47 0.56 0.28 3.38 0.00 0.38 -1.74 119.26 123.59 1smq h ALA 99 Ca 0.73 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1smq h ALA 99 Cb 2.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.20 1smq h ALA 99 CO -0.24 0.73 -0.13 -0.92 0.00 0.00 0.00 179.25 178.69 1smq h TYR 100 N 0.36 -0.35 -0.44 0.00 3.20 0.44 -2.64 116.97 117.53 1smq h TYR 100 Ca -0.03 -0.01 0.04 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 -0.08 0.21 0.87 -1.64 0.00 0.00 178.16 177.58 1smq h LYS 101 N -0.58 0.42 -0.44 1.82 1.79 -1.13 0.49 116.57 118.94 1smq h LYS 101 Ca -0.04 -0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.53 1smq h LYS 101 Cb 0.42 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1smq h LYS 101 CO 0.06 0.28 0.34 -0.09 -1.08 0.00 0.00 179.45 178.96 1smq h ARG 102 N 0.43 0.00 0.00 3.15 2.43 -1.30 -0.63 114.38 118.45 1smq h ARG 102 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1smq h ARG 102 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1smq h ARG 102 CO -0.14 0.00 -1.84 0.00 -1.51 0.00 0.00 179.97 176.48 1smq n ALA 103 N -2.58 3.00 0.09 2.80 0.00 -0.12 -4.00 120.51 119.71 1smq n ALA 103 Ca 0.08 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 1smq n ALA 103 Cb 0.54 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 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 0.64 -3.00 114.58 117.09 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 0.95 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1smq h GLU 104 CO 0.00 0.88 0.00 0.00 -0.73 0.00 0.00 179.01 179.16 1smq n ALA 105 N -2.40 2.23 -0.11 2.92 0.00 -0.31 -3.33 120.51 119.50 1smq n ALA 105 Ca -0.01 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1smq n ALA 105 Cb 0.81 -1.40 0.21 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.30 3.25 -4.46 0.00 7.64 -1.13 -5.03 113.62 112.59 1smq n SER 106 Ca 0.11 -1.95 -0.45 0.00 1.01 0.00 0.00 58.87 57.59 1smq n SER 106 Cb 0.20 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.09 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 1.03 -0.12 -3.53 1.43 7.35 -1.21 -4.99 117.46 117.42 1smq n PHE 107 Ca 0.16 0.80 -0.17 0.00 -0.76 0.00 0.00 57.45 57.48 1smq n PHE 107 Cb 0.50 -2.03 -0.06 0.00 0.35 0.00 0.00 39.48 38.24 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 -5.16 118.94 107.48 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 -0.78 0.41 -0.05 0.00 -1.16 0.00 0.00 33.47 31.89 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 -1.13 2.43 0.14 0.66 -4.23 -1.26 -5.02 115.64 107.24 1smq s THR 109 Ca -0.09 -1.73 0.29 0.00 -1.18 0.00 0.00 61.69 58.99 1smq s THR 109 Cb -0.00 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 71.19 1smq s THR 109 CO 0.09 -0.04 1.93 0.00 -0.54 0.00 0.00 174.62 176.05 1smq h ALA 110 N 1.48 1.03 -0.03 3.99 0.00 -2.00 -3.10 119.26 120.64 1smq h ALA 110 Ca -0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1smq h ALA 110 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1smq h ALA 110 CO 0.69 0.12 0.00 0.39 0.00 0.00 0.00 179.25 180.45 1smq n GLU 111 N -3.25 1.13 0.00 0.00 4.71 -1.26 -2.57 120.64 119.40 1smq n GLU 111 Ca 0.00 -0.13 0.07 0.00 -0.01 0.00 0.00 57.16 57.09 1smq n GLU 111 Cb 0.35 -1.34 -0.01 0.00 -1.01 0.00 0.00 31.44 29.43 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 -0.14 1.97 -2.76 3.49 1.02 -1.17 -4.91 120.64 118.14 1smq n GLU 112 Ca 0.01 -0.61 -0.43 0.00 -0.02 0.00 0.00 57.16 56.11 1smq n GLU 112 Cb 0.19 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.77 4.39 -0.35 -3.67 1.01 -1.06 -5.00 121.20 114.75 1smq s ILE 113 Ca 0.10 0.85 -0.29 0.00 0.00 0.00 0.00 60.65 61.32 1smq s ILE 113 Cb 0.11 -4.49 0.02 0.00 0.01 0.00 0.00 42.46 38.11 1smq s ILE 113 CO 0.37 -0.90 1.14 -0.62 0.00 0.00 0.00 174.94 174.93 1smq s ASP 114 N 2.35 6.82 -0.65 3.58 -1.08 -1.26 -4.92 116.67 121.50 1smq s ASP 114 Ca 0.40 0.96 0.03 0.00 -0.52 0.00 0.00 52.55 53.42 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 0.28 -1.00 1.21 0.18 0.52 0.00 0.00 175.17 176.36 1smq n LEU 115 N 7.23 5.27 -0.01 -1.34 4.77 -1.26 -3.82 117.00 127.83 1smq n LEU 115 Ca 0.13 -5.48 -0.02 0.00 -0.03 0.00 0.00 56.01 50.60 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 0.63 2.24 -0.14 -1.54 -1.33 0.00 0.00 177.39 177.25 1smq n SER 116 N -0.28 0.48 0.22 -1.43 3.41 -1.26 -4.41 113.62 110.34 1smq n SER 116 Ca 0.37 0.08 0.18 0.00 -0.26 0.00 0.00 58.87 59.24 1smq n SER 116 Cb 0.41 -0.43 0.82 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.67 4.33 3.64 -2.01 -2.52 116.57 120.47 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 -1.28 -0.99 4.20 5.19 -1.88 -0.68 116.42 120.98 1smq h ASP 118 Ca 0.09 0.09 0.22 0.00 -0.62 0.00 0.00 57.03 56.81 1smq h ASP 118 Cb 0.71 0.40 -0.09 0.00 0.18 0.00 0.00 39.33 40.53 1smq h ASP 118 CO -0.00 -0.71 0.63 -0.29 -3.12 0.00 0.00 179.24 175.75 1smq h ILE 119 N -1.11 0.63 0.68 0.35 6.09 -1.66 0.02 117.51 122.52 1smq h ILE 119 Ca -0.09 -0.19 -0.03 0.00 -1.37 0.00 0.00 64.86 63.18 1smq h ILE 119 Cb 0.92 0.04 0.01 0.00 0.47 0.00 0.00 36.82 38.26 1smq h ILE 119 CO 0.03 0.10 -0.33 -0.74 -3.07 0.00 0.00 178.15 174.15 1smq h HIS 120 N 0.54 -0.84 -0.05 2.19 2.76 -1.46 -2.99 115.15 115.30 1smq h HIS 120 Ca 0.56 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.72 1smq h HIS 120 Cb 1.18 0.28 -0.00 0.00 1.55 0.00 0.00 27.41 30.42 1smq h HIS 120 CO -0.00 -0.49 0.11 -0.44 -1.30 0.00 0.00 177.93 175.80 1smq h ASP 121 N -1.10 0.00 0.65 3.26 3.45 0.04 -1.32 116.42 121.41 1smq h ASP 121 Ca -0.09 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.31 1smq h ASP 121 Cb 0.73 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.49 1smq h ASP 121 CO 0.15 0.00 -0.27 -0.25 -1.57 0.00 0.00 179.24 177.30 1smq h TRP 122 N 0.00 0.00 0.00 4.55 2.91 -0.88 -1.20 115.95 121.33 1smq h TRP 122 Ca 0.02 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.87 1smq h TRP 122 Cb 0.23 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.85 1smq h TRP 122 CO 0.00 0.27 -1.66 0.09 -1.03 0.00 0.00 178.44 176.11 1smq n ASN 123 N -3.61 2.87 -0.96 2.65 3.02 -0.59 -4.54 115.26 114.09 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 0.30 0.24 0.00 -0.61 0.00 0.00 39.78 40.11 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 -2.58 3.74 0.00 6.41 3.02 -0.66 -4.69 115.26 120.50 1smq n ASN 124 Ca -0.18 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 51.88 1smq n ASN 124 Cb 0.77 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.27 0.00 -3.19 3.52 1.74 -1.09 -4.97 116.66 112.95 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 0.72 -0.41 -0.05 0.00 -1.02 0.00 0.00 32.46 31.69 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 4.35 0.18 5.56 -1.94 -0.47 -5.05 119.30 120.92 1smq s MET 126 Ca 0.00 0.72 -0.03 0.00 -1.71 0.00 0.00 55.69 54.67 1smq s MET 126 Cb 0.00 -3.38 0.04 0.00 2.01 0.00 0.00 34.83 33.50 1smq s MET 126 CO 0.00 0.26 0.24 0.27 -0.01 0.00 0.00 175.02 175.79 1smq n ASN 127 N 3.13 -0.02 -0.12 3.03 0.23 -1.26 -4.73 115.26 115.51 1smq n ASN 127 Ca -0.06 -1.08 -0.11 0.00 -0.53 0.00 0.00 54.58 52.81 1smq n ASN 127 Cb 0.51 -0.19 -0.02 0.00 -2.08 0.00 0.00 39.78 38.00 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 0.64 -0.83 -3.83 4.57 -1.97 -1.88 114.58 111.27 1smq h GLU 128 Ca -0.08 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1smq h GLU 128 Cb 0.22 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 1smq h GLU 128 CO 0.06 0.76 0.54 -0.91 -1.18 0.00 0.00 179.01 178.27 1smq h ASN 129 N 0.46 0.89 -0.13 1.04 -0.26 -1.94 -1.68 115.58 113.96 1smq h ASN 129 Ca 0.10 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.74 1smq h ASN 129 Cb 0.47 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1smq h ASN 129 CO 0.02 0.62 -0.28 -0.33 -1.06 0.00 0.00 177.43 176.40 1smq h GLU 130 N 1.05 0.42 0.00 0.81 5.08 -1.62 -1.40 114.58 118.91 1smq h GLU 130 Ca 0.33 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1smq h GLU 130 Cb -0.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1smq h GLU 130 CO -0.11 0.88 -0.00 0.00 -1.00 0.00 0.00 179.01 178.77 1smq h ARG 131 N 0.02 0.00 0.11 2.33 3.08 -1.27 -1.66 114.38 116.99 1smq h ARG 131 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1smq h ARG 131 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1smq h ARG 131 CO 0.06 0.00 -0.05 0.35 -1.07 0.00 0.00 179.97 179.26 1smq h PHE 132 N 0.00 -0.14 -0.96 3.04 3.57 -1.10 -3.14 116.94 118.22 1smq h PHE 132 Ca -0.00 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1smq h PHE 132 Cb 0.01 0.04 -0.16 0.00 2.79 0.00 0.00 35.95 38.63 1smq h PHE 132 CO 0.00 -0.08 -0.34 0.35 -2.23 0.00 0.00 178.31 176.00 1smq h PHE 133 N -0.57 -0.92 -0.42 0.41 3.57 -0.83 -1.23 116.94 116.95 1smq h PHE 133 Ca -0.01 0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1smq h PHE 133 Cb 0.11 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1smq h PHE 133 CO 0.02 -0.41 -0.11 0.82 -2.23 0.00 0.00 178.31 176.40 1smq h ILE 134 N -0.01 1.27 -0.54 1.41 1.08 -1.47 -0.87 117.51 118.38 1smq h ILE 134 Ca 0.37 -1.22 0.08 0.00 -0.39 0.00 0.00 64.86 63.70 1smq h ILE 134 Cb 0.62 1.19 -0.06 0.00 -3.07 0.00 0.00 36.82 35.50 1smq h ILE 134 CO -0.97 0.41 0.19 0.28 -0.69 0.00 0.00 178.15 177.38 1smq h SER 135 N 0.65 0.19 -0.40 1.72 0.02 -1.20 0.47 113.55 115.00 1smq h SER 135 Ca 0.11 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1smq h SER 135 Cb 0.65 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1smq h SER 135 CO 0.04 0.13 -0.00 -0.09 -1.14 0.00 0.00 176.83 175.77 1smq h ARG 136 N 0.37 0.71 0.00 3.45 9.65 -0.80 -1.10 114.38 126.65 1smq h ARG 136 Ca 0.26 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1smq h ARG 136 Cb 0.30 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1smq h ARG 136 CO -0.27 0.80 -0.02 0.28 2.80 0.00 0.00 179.97 183.55 1smq h VAL 137 N 0.53 0.25 0.06 0.20 2.07 -0.15 0.85 116.25 120.07 1smq h VAL 137 Ca 0.11 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1smq h VAL 137 Cb 0.48 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1smq h VAL 137 CO 0.02 0.02 -0.39 -0.07 0.02 0.00 0.00 177.57 177.18 1smq h LEU 138 N 0.00 0.24 -1.31 2.57 3.38 0.26 -3.03 115.31 117.42 1smq h LEU 138 Ca -0.00 -0.95 0.16 0.00 0.09 0.00 0.00 57.88 57.18 1smq h LEU 138 Cb 0.12 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1smq h LEU 138 CO 0.00 1.17 0.58 0.00 0.09 0.00 0.00 178.44 180.28 1smq h ALA 139 N 0.08 1.89 0.63 1.53 0.00 -0.46 0.15 119.26 123.07 1smq h ALA 139 Ca -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1smq h ALA 139 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1smq h ALA 139 CO 0.07 -0.14 -0.36 0.74 0.00 0.00 0.00 179.25 179.57 1smq h PHE 140 N 0.65 -0.93 -0.86 0.00 0.04 -0.94 -3.02 116.94 111.87 1smq h PHE 140 Ca 0.46 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.32 1smq h PHE 140 Cb 0.80 0.32 -0.06 0.00 2.20 0.00 0.00 35.95 39.21 1smq h PHE 140 CO -0.00 -0.55 0.55 0.74 -0.60 0.00 0.00 178.31 178.45 1smq h PHE 141 N -0.92 0.85 -0.87 -0.55 0.04 -0.66 -2.13 116.94 112.70 1smq h PHE 141 Ca -0.08 0.02 -0.72 0.00 2.80 0.00 0.00 57.97 59.99 1smq h PHE 141 Cb 0.73 -0.27 -0.09 0.00 2.20 0.00 0.00 35.95 38.52 1smq h PHE 141 CO -0.07 0.37 2.76 0.00 -0.60 0.00 0.00 178.31 180.76 1smq n ALA 142 N -2.43 6.91 0.22 2.45 0.00 -0.11 -3.98 120.51 123.58 1smq n ALA 142 Ca 0.15 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1smq n ALA 142 Cb 0.37 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.88 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 2.34 0.72 -2.14 0.00 0.00 -0.80 -4.93 120.51 115.70 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 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.72 7.52 0.00 0.00 0.15 -1.25 -5.18 113.70 112.22 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 0.00 0.00 1.21 1.20 0.00 0.00 173.24 175.65 1smq n GLU 150 N 2.43 0.00 -0.03 5.44 2.13 -1.26 -5.09 120.64 124.26 1smq n GLU 150 Ca 0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.70 1smq n GLU 150 Cb 0.49 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.11 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 0.19 -0.86 4.31 -0.00 -1.99 -0.93 115.58 116.28 1smq h ASN 151 Ca 0.00 -0.49 0.02 0.00 -0.00 0.00 0.00 56.30 55.83 1smq h ASN 151 Cb 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 38.32 38.22 1smq h ASN 151 CO 0.00 0.64 0.57 0.25 -0.00 0.00 0.00 177.43 178.89 1smq h LEU 152 N -0.27 0.96 0.00 0.34 6.46 -2.00 -1.81 115.31 119.00 1smq h LEU 152 Ca 0.01 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1smq h LEU 152 Cb 0.59 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1smq h LEU 152 CO 0.02 0.68 -0.20 0.58 -0.62 0.00 0.00 178.44 178.90 1smq h VAL 153 N 1.13 1.22 0.00 1.05 2.07 -1.94 0.27 116.25 120.05 1smq h VAL 153 Ca 0.33 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1smq h VAL 153 Cb -0.08 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1smq h VAL 153 CO -0.09 0.41 -0.30 -0.08 0.02 0.00 0.00 177.57 177.54 1smq h GLU 154 N -1.00 0.00 -0.00 1.57 4.81 -1.18 0.18 114.58 118.96 1smq h GLU 154 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1smq h GLU 154 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1smq h GLU 154 CO -0.03 0.00 -0.00 -1.71 -0.73 0.00 0.00 179.01 176.54 1smq n ASN 155 N -2.82 0.93 0.05 1.04 5.15 -0.69 -4.76 115.26 114.16 1smq n ASN 155 Ca 0.03 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.05 1smq n ASN 155 Cb 0.52 0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 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 -0.08 -0.87 -0.21 1.20 3.01 -1.15 -4.56 117.46 114.80 1smq n PHE 156 Ca 0.00 0.15 0.25 0.00 1.01 0.00 0.00 57.45 58.87 1smq n PHE 156 Cb 0.01 0.46 0.64 0.00 -0.01 0.00 0.00 39.48 40.57 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 0.00 0.17 0.54 4.37 0.87 -0.37 -0.63 113.55 118.50 1smq h SER 157 Ca 0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1smq h SER 157 Cb 0.00 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1smq h SER 157 CO 0.00 0.06 -0.26 0.74 -0.53 0.00 0.00 176.83 176.84 1smq h THR 158 N 0.16 0.14 -3.55 2.23 2.02 -0.88 -3.43 112.91 109.60 1smq h THR 158 Ca 0.45 -0.46 -0.45 0.00 0.77 0.00 0.00 66.41 66.72 1smq h THR 158 Cb 1.52 0.21 0.19 0.00 -1.74 0.00 0.00 68.15 68.34 1smq h THR 158 CO -0.08 0.03 0.09 -1.61 0.37 0.00 0.00 175.52 174.31 1smq s GLU 159 N -4.24 -0.30 -0.00 6.66 2.02 -0.24 -4.80 118.70 117.80 1smq s GLU 159 Ca -0.12 0.79 -0.00 0.00 0.02 0.00 0.00 54.97 55.65 1smq s GLU 159 Cb 0.01 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.61 1smq s GLU 159 CO 0.39 -3.30 0.01 0.28 0.02 0.00 0.00 175.26 172.66 1smq n VAL 160 N -4.61 -3.12 -1.06 2.63 0.31 -1.25 -4.73 118.33 106.51 1smq n VAL 160 Ca 0.04 0.24 -0.18 0.00 -0.01 0.00 0.00 64.34 64.43 1smq n VAL 160 Cb 0.55 -3.37 0.21 0.00 -0.91 0.00 0.00 33.84 30.32 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 0.14 2.60 -4.77 5.55 1.13 -0.18 -4.82 117.38 117.02 1smq n GLN 161 Ca -0.01 -2.87 -0.32 0.00 -1.94 0.00 0.00 57.00 51.86 1smq n GLN 161 Cb 0.01 -2.14 -0.17 0.00 0.11 0.00 0.00 30.24 28.06 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 -3.05 2.04 0.27 5.09 -4.36 -1.26 -4.55 121.20 115.38 1smq s ILE 162 Ca 0.54 -0.98 -0.01 0.00 -0.26 0.00 0.00 60.65 59.94 1smq s ILE 162 Cb 0.44 -1.80 0.27 0.00 1.25 0.00 0.00 42.46 42.62 1smq s ILE 162 CO 0.11 0.55 1.84 1.55 0.24 0.00 0.00 174.94 179.23 1smq h PRO 163 N 7.20 0.96 -0.64 0.37 0.13 -1.99 -1.92 132.00 136.12 1smq h PRO 163 Ca -0.30 -0.06 0.12 0.00 -0.87 0.00 0.00 66.00 64.90 1smq h PRO 163 Cb 1.20 -0.22 -0.09 0.00 0.13 0.00 0.00 31.00 32.02 1smq h PRO 163 CO 0.54 0.63 0.13 0.93 -0.23 0.00 0.00 178.00 180.00 1smq h GLU 164 N 0.99 0.25 -0.10 0.86 3.07 -1.94 -1.03 114.58 116.67 1smq h GLU 164 Ca 0.47 -0.01 -0.24 0.00 -0.50 0.00 0.00 59.36 59.07 1smq h GLU 164 Cb 0.40 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1smq h GLU 164 CO -0.25 0.16 -0.86 0.00 -1.40 0.00 0.00 179.01 176.67 1smq h ALA 165 N 1.52 0.24 -0.90 3.43 0.00 -1.75 -3.06 119.26 118.73 1smq h ALA 165 Ca 0.34 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.68 1smq h ALA 165 Cb 0.53 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1smq h ALA 165 CO -0.44 0.68 0.59 0.87 0.00 0.00 0.00 179.25 180.95 1smq h LYS 166 N 0.49 0.99 0.26 0.00 1.57 -0.84 -0.21 116.57 118.83 1smq h LYS 166 Ca -0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1smq h LYS 166 Cb 1.50 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1smq h LYS 166 CO 0.18 0.66 -0.18 0.77 -0.57 0.00 0.00 179.45 180.30 1smq h SER 167 N 1.02 -0.45 -0.68 0.86 0.02 -1.19 0.88 113.55 113.99 1smq h SER 167 Ca 0.39 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.48 1smq h SER 167 Cb 0.21 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.81 1smq h SER 167 CO -0.15 -0.28 0.29 0.15 -1.14 0.00 0.00 176.83 175.70 1smq h PHE 168 N -0.44 0.51 -0.32 3.45 3.04 -1.15 -1.99 116.94 120.04 1smq h PHE 168 Ca -0.02 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.82 1smq h PHE 168 Cb 0.37 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1smq h PHE 168 CO -0.10 0.13 -0.35 1.88 -2.02 0.00 0.00 178.31 177.84 1smq h TYR 169 N 0.48 0.85 0.25 0.41 0.05 -0.75 -0.05 116.97 118.21 1smq h TYR 169 Ca 0.35 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 1smq h TYR 169 Cb 0.45 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1smq h TYR 169 CO -0.15 0.97 -0.18 0.78 -1.05 0.00 0.00 178.16 178.54 1smq h GLY 170 N 0.96 -0.43 1.62 3.88 0.00 -0.19 0.98 103.07 109.89 1smq h GLY 170 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1smq h GLY 170 CO 0.08 -0.18 0.24 -2.75 0.00 0.00 0.00 176.54 173.93 1smq h PHE 171 N -0.43 0.49 -0.49 5.60 3.57 -1.30 -1.02 116.94 123.36 1smq h PHE 171 Ca -0.02 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1smq h PHE 171 Cb 0.37 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1smq h PHE 171 CO -0.11 0.32 0.12 0.37 -2.23 0.00 0.00 178.31 176.78 1smq h GLN 172 N 0.52 0.78 -0.55 1.11 4.15 -0.01 0.27 115.11 121.38 1smq h GLN 172 Ca 0.14 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 1smq h GLN 172 Cb -0.04 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1smq h GLN 172 CO -0.03 0.76 -0.07 0.82 -1.93 0.00 0.00 178.83 178.37 1smq h ILE 173 N 0.67 1.27 -0.32 2.39 2.04 0.07 -1.44 117.51 122.19 1smq h ILE 173 Ca 0.15 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 1smq h ILE 173 Cb 0.32 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1smq h ILE 173 CO 0.00 0.44 0.01 -0.03 0.00 0.00 0.00 178.15 178.57 1smq h MET 174 N 0.91 0.55 0.00 2.37 4.05 -1.00 -2.72 114.93 119.09 1smq h MET 174 Ca 0.15 -0.17 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1smq h MET 174 Cb 0.64 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1smq h MET 174 CO 0.04 0.68 -0.35 0.97 0.23 0.00 0.00 176.91 178.48 1smq h ILE 175 N 0.36 0.80 0.00 1.77 -0.00 -0.39 -2.75 117.51 117.29 1smq h ILE 175 Ca 0.09 -1.48 -0.09 0.00 -0.00 0.00 0.00 64.86 63.39 1smq h ILE 175 Cb 0.42 1.93 -0.01 0.00 -0.00 0.00 0.00 36.82 39.15 1smq h ILE 175 CO 0.01 0.34 -0.41 -0.33 -0.00 0.00 0.00 178.15 177.76 1smq h GLU 176 N 0.00 0.00 0.00 2.19 4.39 -1.16 -2.81 114.58 117.19 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 0.90 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1smq h GLU 176 CO 0.05 0.41 -0.47 -0.91 -1.16 0.00 0.00 179.01 176.93 1smq h ASN 177 N 0.00 0.00 0.43 1.42 -0.26 -1.18 -2.03 115.58 113.97 1smq h ASN 177 Ca -0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.54 1smq h ASN 177 Cb 1.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.34 1smq h ASN 177 CO 0.05 0.47 -0.83 0.40 -1.06 0.00 0.00 177.43 176.46 1smq h ILE 178 N 0.00 1.44 0.33 2.81 2.04 -1.49 -2.43 117.51 120.20 1smq h ILE 178 Ca -0.00 -2.40 -0.01 0.00 1.00 0.00 0.00 64.86 63.44 1smq h ILE 178 Cb 1.01 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 1smq h ILE 178 CO 0.06 0.71 -0.24 0.45 0.00 0.00 0.00 178.15 179.13 1smq h HIS 179 N 0.18 -0.62 -0.61 1.37 3.86 -1.21 -0.96 115.15 117.15 1smq h HIS 179 Ca -0.04 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1smq h HIS 179 Cb 1.43 0.23 -0.09 0.00 1.06 0.00 0.00 27.41 30.04 1smq h HIS 179 CO 0.04 -0.36 0.08 1.03 0.86 0.00 0.00 177.93 179.57 1smq h SER 180 N -0.56 -0.12 -0.38 2.45 0.87 -1.30 -0.28 113.55 114.23 1smq h SER 180 Ca -0.03 0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1smq h SER 180 Cb 0.48 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1smq h SER 180 CO 0.00 -0.05 0.19 -0.08 -0.53 0.00 0.00 176.83 176.36 1smq h GLU 181 N 0.19 0.37 0.16 2.24 4.81 -1.12 -2.99 114.58 118.24 1smq h GLU 181 Ca 0.32 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1smq h GLU 181 Cb 0.51 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1smq h GLU 181 CO -0.46 0.25 -0.43 1.15 -0.73 0.00 0.00 179.01 178.78 1smq h THR 182 N 0.38 0.13 -0.74 0.32 2.02 0.31 0.72 112.91 116.06 1smq h THR 182 Ca 0.16 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.49 1smq h THR 182 Cb 0.07 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.57 1smq h THR 182 CO -0.11 0.00 0.50 1.88 0.37 0.00 0.00 175.52 178.16 1smq h TYR 183 N -0.70 0.45 0.09 3.16 0.05 -1.29 0.11 116.97 118.85 1smq h TYR 183 Ca 0.01 0.01 -0.24 0.00 0.05 0.00 0.00 58.73 58.56 1smq h TYR 183 Cb 0.70 -0.14 0.02 0.00 1.01 0.00 0.00 36.73 38.32 1smq h TYR 183 CO -0.36 0.17 -1.00 0.77 -1.05 0.00 0.00 178.16 176.69 1smq h SER 184 N 0.39 0.72 -0.00 3.88 0.02 -1.26 -0.64 113.55 116.65 1smq h SER 184 Ca 0.36 -0.83 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1smq h SER 184 Cb 0.87 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1smq h SER 184 CO -0.11 1.48 -0.35 0.25 -1.14 0.00 0.00 176.83 176.95 1smq h LEU 185 N 0.06 -1.06 0.01 5.07 5.85 0.20 0.49 115.31 125.93 1smq h LEU 185 Ca -0.15 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1smq h LEU 185 Cb 1.71 0.42 -0.06 0.00 0.37 0.00 0.00 40.66 43.11 1smq h LEU 185 CO 0.19 -0.41 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.37 1smq h LEU 186 N -0.50 -1.37 -0.57 2.25 4.07 -0.83 0.18 115.31 118.54 1smq h LEU 186 Ca 0.06 0.16 0.12 0.00 0.08 0.00 0.00 57.88 58.30 1smq h LEU 186 Cb 0.59 0.53 -0.11 0.00 1.08 0.00 0.00 40.66 42.75 1smq h LEU 186 CO -0.29 -0.48 -0.12 0.40 -1.08 0.00 0.00 178.44 176.88 1smq h ILE 187 N -0.61 0.45 0.00 1.22 2.04 -0.64 0.04 117.51 120.01 1smq h ILE 187 Ca 0.04 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1smq h ILE 187 Cb 0.68 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1smq h ILE 187 CO -0.32 0.00 0.00 -0.78 0.00 0.00 0.00 178.15 177.05 1smq h ASP 188 N 0.02 0.00 0.06 1.72 1.82 0.11 -1.50 116.42 118.65 1smq h ASP 188 Ca 0.28 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.58 1smq h ASP 188 Cb 0.43 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 1smq h ASP 188 CO -0.57 0.00 -1.93 0.41 -1.61 0.00 0.00 179.24 175.54 1smq n THR 189 N -2.37 1.66 0.09 2.25 -1.04 0.52 -4.53 114.28 110.86 1smq n THR 189 Ca 0.01 -0.46 -0.22 0.00 -2.04 0.00 0.00 64.05 61.34 1smq n THR 189 Cb 0.17 -1.78 -0.14 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 -0.31 0.93 -3.40 -1.42 0.99 -1.32 -3.42 116.97 109.02 1smq h TYR 190 Ca -0.45 -0.61 -0.73 0.00 2.00 0.00 0.00 58.73 58.94 1smq h TYR 190 Cb 1.79 -0.07 -0.24 0.00 1.00 0.00 0.00 36.73 39.21 1smq h TYR 190 CO 0.06 1.46 -0.40 0.42 -0.00 0.00 0.00 178.16 179.70 1smq s ILE 191 N -2.85 4.81 -1.47 -2.88 1.01 -0.57 -4.92 121.20 114.34 1smq s ILE 191 Ca -0.10 -1.14 0.22 0.00 0.00 0.00 0.00 60.65 59.64 1smq s ILE 191 Cb 0.04 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 1smq s ILE 191 CO 0.92 -0.50 1.07 0.29 0.00 0.00 0.00 174.94 176.71 1smq n LYS 192 N 5.08 0.54 -3.46 2.79 5.02 -1.26 -4.54 118.16 122.33 1smq n LYS 192 Ca -0.11 -0.43 -0.43 0.00 -2.02 0.00 0.00 58.31 55.31 1smq n LYS 192 Cb 0.44 -1.49 -0.05 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 -2.76 6.23 0.61 4.39 2.15 -1.26 -4.90 116.67 121.13 1smq s ASP 193 Ca 0.14 -2.72 0.26 0.00 0.43 0.00 0.00 52.55 50.65 1smq s ASP 193 Cb 0.17 -2.09 1.06 0.00 -0.30 0.00 0.00 42.92 41.76 1smq s ASP 193 CO 0.71 -0.51 1.49 1.55 -0.17 0.00 0.00 175.17 178.24 1smq h PRO 194 N 7.56 0.00 -0.57 4.34 0.13 -1.97 1.33 132.00 142.82 1smq h PRO 194 Ca 0.05 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.28 1smq h PRO 194 Cb 1.01 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.07 1smq h PRO 194 CO 0.75 0.00 0.16 -0.22 -0.23 0.00 0.00 178.00 178.45 1smq h LYS 195 N 0.00 0.30 0.23 0.86 3.64 -1.99 0.19 116.57 119.80 1smq h LYS 195 Ca 0.35 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1smq h LYS 195 Cb 2.23 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.99 1smq h LYS 195 CO -0.00 0.20 -0.11 0.93 -2.27 0.00 0.00 179.45 178.19 1smq h GLU 196 N 0.31 -0.30 -1.70 1.90 5.08 0.13 -3.10 114.58 116.91 1smq h GLU 196 Ca 0.29 0.02 0.52 0.00 -1.00 0.00 0.00 59.36 59.19 1smq h GLU 196 Cb 0.39 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 1smq h GLU 196 CO -0.34 0.04 1.19 0.45 -1.00 0.00 0.00 179.01 179.34 1smq n SER 197 N -4.98 0.06 -0.02 1.42 2.88 -0.97 0.60 113.62 112.61 1smq n SER 197 Ca -0.07 1.06 -0.11 0.00 -1.33 0.00 0.00 58.87 58.43 1smq n SER 197 Cb 0.24 -0.53 -0.09 0.00 -0.75 0.00 0.00 64.21 63.08 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 -0.07 -0.39 -1.46 4.81 -0.61 -2.60 114.58 114.26 1smq h GLU 198 Ca 0.88 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 60.19 1smq h GLU 198 Cb 3.31 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 32.63 1smq h GLU 198 CO -0.15 0.52 -0.11 0.74 -0.73 0.00 0.00 179.01 179.27 1smq h PHE 199 N -0.90 -0.25 -0.84 0.92 0.05 0.23 -1.67 116.94 114.48 1smq h PHE 199 Ca -0.01 0.04 0.11 0.00 3.82 0.00 0.00 57.97 61.93 1smq h PHE 199 Cb 0.63 0.17 -0.13 0.00 2.00 0.00 0.00 35.95 38.62 1smq h PHE 199 CO 0.15 -0.19 -0.46 1.25 -0.18 0.00 0.00 178.31 178.88 1smq h LEU 200 N -0.02 -1.65 -0.34 1.54 6.46 -0.65 0.31 115.31 120.97 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 0.31 0.78 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1smq h LEU 200 CO -0.42 -0.29 0.00 0.49 -0.62 0.00 0.00 178.44 177.60 1smq n PHE 201 N -5.39 0.65 -0.01 1.25 3.01 -0.82 -3.11 117.46 113.05 1smq n PHE 201 Ca 0.05 0.23 -0.20 0.00 1.01 0.00 0.00 57.45 58.54 1smq n PHE 201 Cb 0.35 -0.87 -0.14 0.00 -0.01 0.00 0.00 39.48 38.81 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 -0.11 4.37 2.35 0.37 -3.29 115.58 119.57 1smq h ASN 202 Ca 0.00 -0.85 -0.05 0.00 -0.55 0.00 0.00 56.30 54.85 1smq h ASN 202 Cb 0.46 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1smq h ASN 202 CO 0.00 1.48 0.06 0.00 -1.65 0.00 0.00 177.43 177.31 1smq n ALA 203 N -2.92 2.82 0.00 -0.83 0.00 0.37 -2.92 120.51 117.03 1smq n ALA 203 Ca -0.22 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.90 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 0.24 0.00 -1.33 0.00 0.13 -1.18 -4.68 119.36 112.54 1smq n ILE 204 Ca 0.06 -0.17 -0.15 0.00 -1.10 0.00 0.00 62.75 61.40 1smq n ILE 204 Cb 0.57 0.65 0.19 0.00 -0.84 0.00 0.00 39.64 40.21 1smq n ILE 204 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 1smq n HIS 205 N -1.05 2.16 -0.33 9.51 8.25 -1.15 -3.87 115.22 128.74 1smq n HIS 205 Ca 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 57.72 55.73 1smq n HIS 205 Cb 0.00 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.37 1smq n HIS 205 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1smq n THR 206 N -1.12 0.14 -2.33 1.59 -2.24 -1.26 -5.01 114.28 104.05 1smq n THR 206 Ca 0.48 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 1smq n THR 206 Cb 1.38 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 70.79 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 -0.14 3.96 0.31 2.28 1.01 -1.25 -4.88 121.20 122.49 1smq s ILE 207 Ca 0.00 1.04 0.23 0.00 0.00 0.00 0.00 60.65 61.93 1smq s ILE 207 Cb 0.00 -4.09 0.23 0.00 0.01 0.00 0.00 42.46 38.62 1smq s ILE 207 CO 0.00 -0.55 1.67 -0.65 0.00 0.00 0.00 174.94 175.41 1smq h PRO 208 N 10.17 0.00 -0.38 2.79 0.11 -1.94 -1.76 132.00 140.98 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 32.21 1smq h PRO 208 CO 1.05 0.00 -0.35 0.93 -0.21 0.00 0.00 178.00 179.42 1smq h GLU 209 N 0.00 0.91 -0.19 1.05 3.07 -1.94 -1.64 114.58 115.84 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 0.53 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 1smq h GLU 209 CO 0.00 1.12 -0.06 0.82 -1.40 0.00 0.00 179.01 179.49 1smq h ILE 210 N 0.72 0.77 -0.04 3.13 2.04 -1.70 0.75 117.51 123.19 1smq h ILE 210 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1smq h ILE 210 Cb 0.94 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1smq h ILE 210 CO 0.09 0.00 -0.05 1.23 0.00 0.00 0.00 178.15 179.42 1smq h GLY 211 N -0.03 -0.01 0.99 5.37 0.00 -1.65 0.17 103.07 107.91 1smq h GLY 211 Ca 0.10 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1smq h GLY 211 CO -0.21 -0.06 0.52 0.83 0.00 0.00 0.00 176.54 177.62 1smq h GLU 212 N -0.07 1.02 -0.57 4.80 5.08 -0.64 -0.37 114.58 123.83 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 0.12 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1smq h GLU 212 CO -0.09 0.68 0.34 -0.22 -1.00 0.00 0.00 179.01 178.72 1smq h LYS 213 N 1.05 0.79 -0.01 2.33 3.64 0.85 -0.54 116.57 124.67 1smq h LYS 213 Ca 0.29 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1smq h LYS 213 Cb -0.10 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.50 1smq h LYS 213 CO -0.07 0.58 -0.40 0.00 -2.27 0.00 0.00 179.45 177.28 1smq h ALA 214 N 1.16 -0.63 -0.47 5.00 0.00 0.68 -1.22 119.26 123.78 1smq h ALA 214 Ca 0.21 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1smq h ALA 214 Cb 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1smq h ALA 214 CO -0.04 -0.93 0.31 1.49 0.00 0.00 0.00 179.25 180.08 1smq h GLU 215 N -0.55 0.55 -0.81 0.00 4.81 -0.82 -0.67 114.58 117.09 1smq h GLU 215 Ca 0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1smq h GLU 215 Cb 0.64 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1smq h GLU 215 CO -0.31 0.36 0.54 2.35 -0.73 0.00 0.00 179.01 181.22 1smq h TRP 216 N 0.57 1.01 -0.01 0.92 7.01 0.05 -2.75 115.95 122.75 1smq h TRP 216 Ca 0.18 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.09 1smq h TRP 216 Cb 0.03 -0.34 0.01 0.00 -2.10 0.00 0.00 29.16 26.76 1smq h TRP 216 CO -0.00 0.63 -0.46 0.00 -2.79 0.00 0.00 178.44 175.82 1smq h ALA 217 N 1.50 0.06 -0.01 2.65 0.00 -0.34 -3.09 119.26 120.04 1smq h ALA 217 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1smq h ALA 217 Cb -0.10 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1smq h ALA 217 CO -0.07 0.25 0.01 1.25 0.00 0.00 0.00 179.25 180.69 1smq h LEU 218 N -0.25 0.00 0.48 0.00 6.46 -1.30 0.34 115.31 121.04 1smq h LEU 218 Ca -0.06 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1smq h LEU 218 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1smq h LEU 218 CO 0.09 0.00 -0.23 -0.09 -0.62 0.00 0.00 178.44 177.59 1smq h ARG 219 N 0.00 -0.63 0.00 1.25 2.43 -1.48 -2.85 114.38 113.11 1smq h ARG 219 Ca 0.00 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1smq h ARG 219 Cb 0.02 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1smq h ARG 219 CO -0.00 -0.42 -1.79 0.91 -1.51 0.00 0.00 179.97 177.16 1smq n TRP 220 N -5.12 0.28 -0.02 2.20 7.02 -1.12 -4.64 117.44 116.04 1smq n TRP 220 Ca -0.08 0.09 -0.05 0.00 -1.02 0.00 0.00 57.50 56.44 1smq n TRP 220 Cb 0.26 -0.70 -0.02 0.00 -2.42 0.00 0.00 31.31 28.43 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 -2.45 1.33 0.31 -0.99 5.41 0.11 -4.48 119.36 118.61 1smq n ILE 221 Ca -0.07 0.27 0.16 0.00 1.00 0.00 0.00 62.75 64.11 1smq n ILE 221 Cb 0.66 -1.96 0.69 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.50 0.00 -6.66 0.38 4.20 -1.54 -3.44 115.11 107.55 1smq h GLN 222 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1smq h GLN 222 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1smq h GLN 222 CO 0.00 0.00 0.36 0.34 -0.67 0.00 0.00 178.83 178.86 1smq s ASP 223 N -4.93 7.57 1.12 1.46 2.15 -1.07 -5.02 116.67 117.95 1smq s ASP 223 Ca 0.01 1.88 -0.11 0.00 0.43 0.00 0.00 52.55 54.76 1smq s ASP 223 Cb 0.09 -2.60 0.17 0.00 -0.30 0.00 0.00 42.92 40.28 1smq s ASP 223 CO 0.43 0.05 0.65 0.00 -0.17 0.00 0.00 175.17 176.13 1smq n ALA 224 N 2.10 -1.79 -2.65 3.66 0.00 -1.26 -3.74 120.51 116.82 1smq n ALA 224 Ca 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 53.44 52.34 1smq n ALA 224 Cb 0.48 -0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 1smq n ALA 224 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1smq n ASP 225 N -3.98 -4.22 -4.11 0.00 2.03 -1.26 -4.89 116.55 100.11 1smq n ASP 225 Ca 0.09 0.03 -0.37 0.00 0.52 0.00 0.00 54.79 55.06 1smq n ASP 225 Cb 0.34 -3.54 -0.10 0.00 -0.72 0.00 0.00 41.12 37.10 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 -2.75 3.51 0.18 -1.67 0.00 -1.25 -5.04 121.76 114.74 1smq s ALA 226 Ca 0.10 -3.09 -0.23 0.00 0.00 0.00 0.00 51.96 48.74 1smq s ALA 226 Cb -0.05 -2.65 -0.14 0.00 0.00 0.00 0.00 23.12 20.28 1smq s ALA 226 CO 0.12 -2.04 0.40 1.28 0.00 0.00 0.00 175.76 175.52 1smq n LEU 227 N 3.79 -1.16 -0.04 0.00 4.77 -1.26 -4.68 117.00 118.41 1smq n LEU 227 Ca 0.05 0.92 -0.08 0.00 -0.03 0.00 0.00 56.01 56.87 1smq n LEU 227 Cb 0.39 -0.79 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1smq n LEU 227 CO 0.34 -2.58 0.72 0.15 -1.33 0.00 0.00 177.39 174.69 1smq h PHE 228 N 0.79 -0.53 -0.65 -1.77 3.57 -1.97 -1.55 116.94 114.82 1smq h PHE 228 Ca -0.24 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.47 1smq h PHE 228 Cb 1.20 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 1smq h PHE 228 CO 0.34 -0.28 0.46 0.78 -2.23 0.00 0.00 178.31 177.38 1smq h GLY 229 N -0.21 0.17 1.42 2.40 0.00 -1.89 0.40 103.07 105.36 1smq h GLY 229 Ca 0.13 -0.04 -0.23 0.00 0.00 0.00 0.00 47.33 47.19 1smq h GLY 229 CO -0.36 0.01 -0.93 0.83 0.00 0.00 0.00 176.54 176.10 1smq h GLU 230 N 0.10 0.54 0.00 4.80 5.08 -1.63 -2.80 114.58 120.67 1smq h GLU 230 Ca 0.31 -0.54 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1smq h GLU 230 Cb 1.11 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1smq h GLU 230 CO -0.03 1.17 -0.21 0.00 -1.00 0.00 0.00 179.01 178.93 1smq h ARG 231 N 0.32 0.00 -0.25 2.33 3.08 -0.49 -1.39 114.38 117.98 1smq h ARG 231 Ca -0.09 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1smq h ARG 231 Cb 1.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.61 1smq h ARG 231 CO 0.17 0.21 -0.38 -0.07 -1.07 0.00 0.00 179.97 178.84 1smq h LEU 232 N 0.00 0.77 -0.84 3.04 3.38 -0.98 0.99 115.31 121.66 1smq h LEU 232 Ca -0.00 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 1smq h LEU 232 Cb 0.63 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1smq h LEU 232 CO 0.03 1.13 -0.06 0.58 0.09 0.00 0.00 178.44 180.21 1smq h VAL 233 N 0.42 1.25 -0.10 1.22 2.07 -1.18 0.17 116.25 120.11 1smq h VAL 233 Ca 0.02 -1.10 -0.14 0.00 0.82 0.00 0.00 66.70 66.31 1smq h VAL 233 Cb 0.97 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1smq h VAL 233 CO 0.09 0.38 -0.54 0.00 0.02 0.00 0.00 177.57 177.52 1smq h ALA 234 N 1.19 0.90 -0.04 1.67 0.00 -1.12 -2.12 119.26 119.74 1smq h ALA 234 Ca 0.13 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1smq h ALA 234 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1smq h ALA 234 CO 0.03 0.69 -0.12 0.35 0.00 0.00 0.00 179.25 180.19 1smq h PHE 235 N 0.21 0.20 -0.32 0.00 3.57 -0.29 -2.76 116.94 117.55 1smq h PHE 235 Ca 0.00 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.47 1smq h PHE 235 Cb 1.03 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1smq h PHE 235 CO 0.02 0.74 0.22 0.00 -2.23 0.00 0.00 178.31 177.06 1smq h ALA 236 N 0.43 2.04 0.00 2.41 0.00 -1.00 0.24 119.26 123.38 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 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1smq h ALA 236 CO 0.03 -0.11 -0.15 0.77 0.00 0.00 0.00 179.25 179.79 1smq h SER 237 N 0.20 0.00 1.09 0.00 0.02 -1.24 0.62 113.55 114.24 1smq h SER 237 Ca 0.14 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.91 1smq h SER 237 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1smq h SER 237 CO -0.02 0.15 -0.94 0.40 -1.14 0.00 0.00 176.83 175.27 1smq h ILE 238 N 0.00 1.27 0.02 3.27 2.04 -0.25 0.24 117.51 124.11 1smq h ILE 238 Ca -0.00 -2.86 -0.37 0.00 1.00 0.00 0.00 64.86 62.63 1smq h ILE 238 Cb 0.60 2.61 -0.06 0.00 -0.74 0.00 0.00 36.82 39.23 1smq h ILE 238 CO 0.02 0.72 -2.26 -0.62 0.00 0.00 0.00 178.15 176.01 1smq n GLU 239 N -3.25 0.68 0.02 2.37 -0.58 -0.99 -4.20 120.64 114.69 1smq n GLU 239 Ca -0.02 0.14 0.11 0.00 -0.42 0.00 0.00 57.16 56.97 1smq n GLU 239 Cb 0.88 -1.59 -0.12 0.00 -0.57 0.00 0.00 31.44 30.04 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 1.96 -1.11 0.26 0.62 0.00 0.22 -4.73 105.19 102.40 1smq n GLY 240 Ca -0.35 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.24 0.00 0.57 1.61 0.31 -0.67 -4.59 118.33 113.32 1smq n VAL 241 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1smq n VAL 241 Cb 0.53 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 -2.43 0.00 -1.75 3.52 3.01 0.77 -2.83 117.46 117.74 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 0.40 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 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 -0.21 0.00 0.19 1.38 3.72 -1.26 -4.90 117.46 116.38 1smq n PHE 243 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1smq n PHE 243 Cb 0.03 0.17 0.36 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.40 4.37 4.64 -1.77 -2.94 113.55 117.45 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 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1smq h SER 244 CO 0.00 0.38 0.10 1.23 -0.87 0.00 0.00 176.83 177.67 1smq h GLY 245 N 1.30 0.77 1.43 -0.77 0.00 -1.91 -2.68 103.07 101.20 1smq h GLY 245 Ca -0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 47.33 46.59 1smq h GLY 245 CO 0.05 0.41 -1.35 1.76 0.00 0.00 0.00 176.54 177.41 1smq h SER 246 N 0.69 0.67 0.16 0.19 0.02 -1.91 -2.88 113.55 110.48 1smq h SER 246 Ca 0.15 -0.70 0.01 0.00 -0.84 0.00 0.00 61.79 60.41 1smq h SER 246 Cb 0.29 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1smq h SER 246 CO 0.00 1.54 -0.22 -0.26 -1.14 0.00 0.00 176.83 176.75 1smq h PHE 247 N 0.13 -0.58 -0.43 3.45 0.05 -1.42 -1.79 116.94 116.35 1smq h PHE 247 Ca -0.19 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.59 1smq h PHE 247 Cb 2.05 0.24 -0.02 0.00 2.00 0.00 0.00 35.95 40.22 1smq h PHE 247 CO 0.10 -0.32 0.23 0.00 -0.18 0.00 0.00 178.31 178.14 1smq h ALA 248 N 0.31 0.55 -0.80 2.45 0.00 -1.61 -1.30 119.26 118.87 1smq h ALA 248 Ca 0.02 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.04 1smq h ALA 248 Cb 0.44 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1smq h ALA 248 CO -0.09 0.08 0.56 0.66 0.00 0.00 0.00 179.25 180.45 1smq h SER 249 N 0.55 0.17 1.20 0.00 4.64 -1.24 0.31 113.55 119.18 1smq h SER 249 Ca 0.15 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1smq h SER 249 Cb 0.07 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1smq h SER 249 CO -0.02 0.07 -0.83 0.40 -0.87 0.00 0.00 176.83 175.58 1smq h ILE 250 N 0.17 0.30 0.00 0.95 2.04 -0.53 -3.13 117.51 117.31 1smq h ILE 250 Ca 0.39 -1.51 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 1smq h ILE 250 Cb 1.29 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1smq h ILE 250 CO -0.07 0.17 -0.02 -0.26 0.00 0.00 0.00 178.15 177.97 1smq h PHE 251 N 0.00 0.00 -0.13 1.37 -1.00 0.66 -2.80 116.94 115.03 1smq h PHE 251 Ca -0.05 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.62 1smq h PHE 251 Cb 1.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.78 1smq h PHE 251 CO 0.00 0.02 -0.40 2.35 -1.61 0.00 0.00 178.31 178.67 1smq h TRP 252 N 0.00 0.34 0.00 -0.55 2.91 -1.10 -2.05 115.95 115.50 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 0.76 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1smq h TRP 252 CO 0.00 0.65 -0.06 -0.07 -1.03 0.00 0.00 178.44 177.94 1smq h LEU 253 N 0.24 0.00 -0.13 0.65 3.38 -1.57 -2.91 115.31 114.97 1smq h LEU 253 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1smq h LEU 253 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1smq h LEU 253 CO 0.06 0.06 -0.18 0.50 0.09 0.00 0.00 178.44 178.97 1smq h LYS 254 N 0.00 0.35 -0.14 1.13 3.64 -1.37 -2.33 116.57 117.85 1smq h LYS 254 Ca -0.00 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1smq h LYS 254 Cb 0.69 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 1smq h LYS 254 CO 0.01 0.78 -0.35 -0.22 -2.27 0.00 0.00 179.45 177.40 1smq h LYS 255 N -0.05 -0.41 -1.48 1.90 3.64 -1.32 0.26 116.57 119.12 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 0.74 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1smq h LYS 255 CO 0.04 -0.27 0.00 0.54 -2.27 0.00 0.00 179.45 177.49 1smq n ARG 256 N -5.42 0.98 -1.28 1.90 1.74 -1.20 -4.90 116.66 108.47 1smq n ARG 256 Ca -0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.01 1smq n ARG 256 Cb 0.34 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 0.98 0.02 3.58 -0.13 0.00 0.92 -4.97 105.19 105.59 1smq n GLY 257 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.35 1.88 -0.65 1.61 -1.94 -0.89 -4.97 119.30 114.00 1smq s MET 258 Ca 0.04 -1.55 -0.15 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 0.09 -0.81 0.29 -1.33 -0.01 0.00 0.00 175.02 173.25 1smq n MET 259 N -0.51 -0.68 -0.30 2.03 2.81 -1.26 -4.61 117.12 114.60 1smq n MET 259 Ca -0.02 -0.19 0.09 0.00 -1.81 0.00 0.00 57.70 55.78 1smq n MET 259 Cb 0.61 -0.95 0.26 0.00 -0.71 0.00 0.00 33.22 32.42 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 0.06 0.53 0.14 0.03 0.13 -1.93 0.14 132.00 131.10 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 0.72 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1smq h PRO 260 CO 0.28 0.35 -0.07 0.78 -0.23 0.00 0.00 178.00 179.11 1smq h GLY 261 N 0.54 -0.20 0.29 1.56 0.00 -1.86 -2.11 103.07 101.28 1smq h GLY 261 Ca 0.50 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 1smq h GLY 261 CO -0.42 -0.07 -0.48 -2.00 0.00 0.00 0.00 176.54 173.56 1smq h LEU 262 N -0.50 -1.38 -0.95 3.11 5.85 -1.67 -1.51 115.31 118.26 1smq h LEU 262 Ca -0.02 0.13 0.28 0.00 0.84 0.00 0.00 57.88 59.11 1smq h LEU 262 Cb 0.39 0.48 -0.15 0.00 0.37 0.00 0.00 40.66 41.76 1smq h LEU 262 CO 0.03 -0.57 0.39 0.71 -0.34 0.00 0.00 178.44 178.66 1smq h THR 263 N -0.82 0.28 -0.07 1.05 1.35 -0.78 0.16 112.91 114.09 1smq h THR 263 Ca -0.03 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 1smq h THR 263 Cb 0.76 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1smq h THR 263 CO -0.16 0.04 0.02 0.15 -0.25 0.00 0.00 175.52 175.32 1smq h PHE 264 N 0.24 0.12 0.08 4.73 3.57 -0.63 -1.87 116.94 123.18 1smq h PHE 264 Ca 0.65 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 62.13 1smq h PHE 264 Cb 1.42 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1smq h PHE 264 CO -0.15 0.31 -0.04 0.66 -2.23 0.00 0.00 178.31 176.86 1smq h SER 265 N -0.11 -0.10 0.00 0.41 4.64 -0.15 -2.19 113.55 116.05 1smq h SER 265 Ca 0.02 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1smq h SER 265 Cb 0.25 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1smq h SER 265 CO 0.00 0.03 0.28 -1.13 -0.87 0.00 0.00 176.83 175.15 1smq h ASN 266 N -0.22 0.00 0.04 4.97 -1.24 -0.68 -0.72 115.58 117.73 1smq h ASN 266 Ca -0.01 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.76 1smq h ASN 266 Cb 0.18 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 1smq h ASN 266 CO 0.02 0.00 -1.28 -0.33 -1.29 0.00 0.00 177.43 174.55 1smq h GLU 267 N 0.00 0.08 -0.77 6.67 5.08 -0.72 -3.15 114.58 121.78 1smq h GLU 267 Ca 0.00 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1smq h GLU 267 Cb 0.56 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1smq h GLU 267 CO 0.00 1.07 0.33 -0.07 -1.00 0.00 0.00 179.01 179.33 1smq h LEU 268 N -0.72 1.04 0.40 1.33 3.38 -0.84 -0.65 115.31 119.25 1smq h LEU 268 Ca -0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1smq h LEU 268 Cb 1.47 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1smq h LEU 268 CO -0.10 0.92 -0.19 0.40 0.09 0.00 0.00 178.44 179.55 1smq h ILE 269 N 1.10 0.60 0.04 1.22 2.04 -1.35 -1.58 117.51 119.58 1smq h ILE 269 Ca 0.26 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1smq h ILE 269 Cb 0.18 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1smq h ILE 269 CO -0.02 0.05 -0.31 0.00 0.00 0.00 0.00 178.15 177.87 1smq h ARG 271 N -0.49 -0.02 0.37 0.00 2.43 -1.04 -1.21 114.38 114.43 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 0.55 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1smq h ARG 271 CO -0.24 -0.01 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.40 1smq h ASP 272 N -0.02 -1.02 0.00 -3.80 5.19 0.06 -1.72 116.42 115.11 1smq h ASP 272 Ca 0.38 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1smq h ASP 272 Cb 0.63 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1smq h ASP 272 CO -0.94 -0.49 0.25 -0.33 -3.12 0.00 0.00 179.24 174.61 1smq h GLU 273 N -0.74 0.00 0.03 3.56 4.39 -0.03 0.33 114.58 122.13 1smq h GLU 273 Ca -0.05 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1smq h GLU 273 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1smq h GLU 273 CO -0.05 0.00 -0.58 0.78 -1.16 0.00 0.00 179.01 178.01 1smq h GLY 274 N 0.00 0.08 -0.01 -3.84 0.00 -0.65 -1.83 103.07 96.83 1smq h GLY 274 Ca 0.00 -0.21 0.18 0.00 0.00 0.00 0.00 47.33 47.30 1smq h GLY 274 CO 0.00 0.18 0.39 -2.00 0.00 0.00 0.00 176.54 175.11 1smq h LEU 275 N -0.83 0.38 0.09 3.11 5.85 0.46 0.57 115.31 124.94 1smq h LEU 275 Ca -0.14 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1smq h LEU 275 Cb 1.25 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1smq h LEU 275 CO -0.02 0.09 -0.04 0.45 -0.34 0.00 0.00 178.44 178.57 1smq h HIS 276 N 0.48 -0.12 0.38 1.25 3.86 -1.17 -2.45 115.15 117.39 1smq h HIS 276 Ca 0.50 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.70 1smq h HIS 276 Cb 0.85 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 1smq h HIS 276 CO -0.13 0.10 -0.25 1.15 0.86 0.00 0.00 177.93 179.66 1smq h THR 277 N -0.32 0.47 -0.86 2.45 2.02 -0.35 -2.54 112.91 113.79 1smq h THR 277 Ca -0.01 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.38 1smq h THR 277 Cb 0.27 0.47 -0.15 0.00 -1.74 0.00 0.00 68.15 67.01 1smq h THR 277 CO 0.02 0.00 0.08 0.44 0.37 0.00 0.00 175.52 176.43 1smq h ASP 278 N -0.62 -0.28 -0.71 4.18 3.32 -0.97 0.36 116.42 121.70 1smq h ASP 278 Ca -0.04 0.22 0.11 0.00 0.02 0.00 0.00 57.03 57.34 1smq h ASP 278 Cb 0.52 0.36 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 1smq h ASP 278 CO 0.03 -0.22 0.32 0.15 -1.72 0.00 0.00 179.24 177.80 1smq h PHE 279 N 0.11 0.56 -0.20 4.55 3.57 -1.00 -0.14 116.94 124.38 1smq h PHE 279 Ca 0.50 0.03 0.05 0.00 3.53 0.00 0.00 57.97 62.08 1smq h PHE 279 Cb 0.98 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1smq h PHE 279 CO -0.40 0.15 -0.10 0.00 -2.23 0.00 0.00 178.31 175.73 1smq h ALA 280 N 1.47 0.07 0.15 2.41 0.00 -0.77 0.87 119.26 123.46 1smq h ALA 280 Ca 0.37 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.38 1smq h ALA 280 Cb 0.47 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1smq h ALA 280 CO -0.33 -0.53 -0.42 0.00 0.00 0.00 0.00 179.25 177.98 1smq h LEU 282 N -0.67 0.05 -0.68 0.00 6.46 -0.32 0.14 115.31 120.29 1smq h LEU 282 Ca 0.01 0.17 -0.14 0.00 -0.12 0.00 0.00 57.88 57.81 1smq h LEU 282 Cb 0.69 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1smq h LEU 282 CO -0.23 -0.09 -0.59 -0.07 -0.62 0.00 0.00 178.44 176.85 1smq h LEU 283 N 0.26 0.26 -0.46 2.25 3.38 0.52 -2.82 115.31 118.70 1smq h LEU 283 Ca 0.50 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.37 1smq h LEU 283 Cb 0.95 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1smq h LEU 283 CO -0.58 0.79 0.20 0.15 0.09 0.00 0.00 178.44 179.09 1smq h PHE 284 N 0.17 0.37 -0.93 1.13 3.57 0.24 -2.04 116.94 119.45 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 1.08 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.65 1smq h PHE 284 CO 0.02 0.16 0.60 0.00 -2.23 0.00 0.00 178.31 176.87 1smq h ALA 285 N 1.27 2.08 0.00 2.41 0.00 -1.01 0.56 119.26 124.57 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 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1smq h ALA 285 CO -0.18 -0.38 0.00 0.45 0.00 0.00 0.00 179.25 179.14 1smq h HIS 286 N 0.50 0.00 -3.97 0.00 3.86 -1.36 -3.45 115.15 110.73 1smq h HIS 286 Ca 0.49 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.17 1smq h HIS 286 Cb 1.10 0.00 0.11 0.00 1.06 0.00 0.00 27.41 29.67 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 -5.30 4.17 -0.21 2.43 1.02 0.19 -4.84 118.68 116.13 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 -3.90 -0.19 0.00 0.02 0.00 0.00 46.19 42.21 1smq s LEU 287 CO 0.59 -1.04 0.06 0.29 0.02 0.00 0.00 176.35 176.27 1smq n LYS 288 N -0.02 0.64 -3.33 1.70 5.02 -1.26 -4.65 118.16 116.26 1smq n LYS 288 Ca 0.04 0.34 -0.47 0.00 -2.02 0.00 0.00 58.31 56.20 1smq n LYS 288 Cb 0.42 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 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 6.71 0.43 4.39 0.01 -1.26 -5.05 114.94 113.19 1smq s ASN 289 Ca -0.30 -2.61 -0.13 0.00 -0.71 0.00 0.00 52.86 49.11 1smq s ASN 289 Cb 0.09 -2.21 -0.07 0.00 0.41 0.00 0.00 41.25 39.46 1smq s ASN 289 CO 0.62 -0.60 0.84 -0.54 -1.51 0.00 0.00 177.10 175.91 1smq s LYS 290 N 0.31 3.88 0.97 -0.60 1.02 -1.26 -4.86 119.74 119.20 1smq s LYS 290 Ca 0.17 0.68 -0.11 0.00 0.02 0.00 0.00 55.97 56.72 1smq s LYS 290 Cb -0.12 -2.31 0.18 0.00 -0.52 0.00 0.00 37.83 35.06 1smq s LYS 290 CO -0.08 -0.09 1.09 -2.14 -0.92 0.00 0.00 175.35 173.21 1smq s PRO 291 N -3.78 0.60 -0.02 -1.68 0.02 -1.26 -4.93 135.00 123.96 1smq s PRO 291 Ca 0.54 1.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.28 1smq s PRO 291 Cb -0.10 -1.72 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 1smq s PRO 291 CO 0.29 -2.74 1.59 0.34 -0.33 0.00 0.00 177.00 176.14 1smq s ASP 292 N -2.98 6.70 0.51 2.53 3.68 -1.26 -4.85 116.67 121.00 1smq s ASP 292 Ca 0.66 2.25 0.44 0.00 2.13 0.00 0.00 52.55 58.03 1smq s ASP 292 Cb -0.21 -2.55 1.64 0.00 -1.45 0.00 0.00 42.92 40.35 1smq s ASP 292 CO 0.59 -0.87 1.55 -2.65 0.13 0.00 0.00 175.17 173.92 1smq n PRO 293 N 6.36 -0.01 -0.21 4.34 -0.02 -1.26 0.96 135.00 145.16 1smq n PRO 293 Ca 0.16 1.13 -0.05 0.00 -2.02 0.00 0.00 63.50 62.72 1smq n PRO 293 Cb 0.42 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.49 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 1.19 0.78 0.21 3.55 0.00 -1.99 -1.38 119.26 121.62 1smq h ALA 294 Ca 0.91 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.79 1smq h ALA 294 Cb 3.43 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 21.03 1smq h ALA 294 CO -0.17 0.13 -0.10 0.82 0.00 0.00 0.00 179.25 179.93 1smq h ILE 295 N 0.75 0.87 -0.90 0.00 5.03 0.23 0.23 117.51 123.72 1smq h ILE 295 Ca 0.24 -0.69 0.25 0.00 -0.12 0.00 0.00 64.86 64.53 1smq h ILE 295 Cb -0.00 1.26 -0.15 0.00 -3.03 0.00 0.00 36.82 34.90 1smq h ILE 295 CO -0.09 0.15 0.23 0.58 -0.68 0.00 0.00 178.15 178.34 1smq h VAL 296 N -0.65 0.27 -0.09 1.67 2.07 -1.38 0.24 116.25 118.38 1smq h VAL 296 Ca -0.03 -0.06 -0.20 0.00 0.82 0.00 0.00 66.70 67.23 1smq h VAL 296 Cb 0.46 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1smq h VAL 296 CO 0.05 0.03 -0.78 -0.08 0.02 0.00 0.00 177.57 176.82 1smq h GLU 297 N 0.18 0.53 -0.10 1.57 4.81 -1.09 -3.19 114.58 117.29 1smq h GLU 297 Ca 0.57 -0.45 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 1smq h GLU 297 Cb 1.18 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1smq h GLU 297 CO -0.69 1.08 -0.65 -0.22 -0.73 0.00 0.00 179.01 177.81 1smq h LYS 298 N 0.35 0.39 -0.06 1.92 1.63 0.14 -1.68 116.57 119.27 1smq h LYS 298 Ca -0.05 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.46 1smq h LYS 298 Cb 1.38 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1smq h LYS 298 CO 0.14 0.91 -0.02 0.82 -3.45 0.00 0.00 179.45 177.85 1smq h ILE 299 N 0.28 1.30 0.00 2.00 2.04 -0.75 -1.31 117.51 121.07 1smq h ILE 299 Ca -0.01 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1smq h ILE 299 Cb 1.19 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1smq h ILE 299 CO 0.11 0.26 -0.05 0.58 0.00 0.00 0.00 178.15 179.04 1smq h VAL 300 N -0.23 0.86 -0.50 1.67 2.07 -1.60 -2.57 116.25 115.95 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 0.41 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1smq h VAL 300 CO 0.01 0.00 0.19 0.74 0.02 0.00 0.00 177.57 178.52 1smq h THR 301 N -0.10 0.84 0.00 2.57 2.02 -1.29 -0.58 112.91 116.38 1smq h THR 301 Ca 0.02 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1smq h THR 301 Cb 0.12 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1smq h THR 301 CO -0.05 0.07 -0.22 -0.33 0.37 0.00 0.00 175.52 175.35 1smq h GLU 302 N 0.37 0.00 0.76 6.66 5.08 -1.07 -2.59 114.58 123.80 1smq h GLU 302 Ca 0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1smq h GLU 302 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1smq h GLU 302 CO -0.24 0.22 -0.37 0.00 -1.00 0.00 0.00 179.01 177.63 1smq h ALA 303 N 1.78 -1.03 -0.89 3.43 0.00 -0.75 -2.68 119.26 119.11 1smq h ALA 303 Ca -0.00 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.87 1smq h ALA 303 Cb 0.41 0.39 -0.17 0.00 0.00 0.00 0.00 17.79 18.43 1smq h ALA 303 CO 0.03 -0.96 -0.20 0.28 0.00 0.00 0.00 179.25 178.40 1smq h VAL 304 N -1.26 0.11 -0.50 0.00 2.07 -1.02 0.39 116.25 116.04 1smq h VAL 304 Ca -0.10 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1smq h VAL 304 Cb 0.78 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1smq h VAL 304 CO 0.17 0.00 0.21 -0.33 0.02 0.00 0.00 177.57 177.64 1smq h GLU 305 N 0.00 0.70 -0.03 1.57 5.08 -1.45 0.34 114.58 120.79 1smq h GLU 305 Ca 0.44 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 58.50 1smq h GLU 305 Cb 0.69 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1smq h GLU 305 CO -0.91 0.57 -0.85 0.82 -1.00 0.00 0.00 179.01 177.64 1smq h ILE 306 N 0.70 1.39 -0.34 3.13 2.04 -0.02 -2.31 117.51 122.10 1smq h ILE 306 Ca 0.17 -2.33 -0.04 0.00 1.00 0.00 0.00 64.86 63.67 1smq h ILE 306 Cb 0.12 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1smq h ILE 306 CO -0.02 0.70 0.06 -0.08 0.00 0.00 0.00 178.15 178.81 1smq h GLU 307 N 0.25 0.56 -0.61 2.37 4.57 0.08 -1.33 114.58 120.47 1smq h GLU 307 Ca -0.06 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 1smq h GLU 307 Cb 1.46 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.96 1smq h GLU 307 CO 0.15 0.63 0.18 1.96 -1.18 0.00 0.00 179.01 180.75 1smq h GLN 308 N 0.40 0.95 0.00 1.92 4.20 -0.39 -2.24 115.11 119.95 1smq h GLN 308 Ca 0.11 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1smq h GLN 308 Cb 0.34 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1smq h GLN 308 CO 0.01 0.85 -0.05 -0.09 -0.67 0.00 0.00 178.83 178.87 1smq h ARG 309 N 0.87 0.00 -0.99 1.46 2.43 -1.23 -0.96 114.38 115.96 1smq h ARG 309 Ca 0.19 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.46 1smq h ARG 309 Cb 0.30 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 1smq h ARG 309 CO -0.00 0.05 0.63 1.88 -1.51 0.00 0.00 179.97 181.02 1smq h TYR 310 N 0.00 1.14 -0.02 2.20 -1.99 -0.60 -2.94 116.97 114.77 1smq h TYR 310 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1smq h TYR 310 Cb 0.25 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.61 1smq h TYR 310 CO 0.00 0.51 -0.42 1.19 -0.00 0.00 0.00 178.16 179.44 1smq n PHE 311 N -4.56 0.00 -0.29 4.88 0.99 -0.40 -1.63 117.46 116.44 1smq n PHE 311 Ca 0.17 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.68 1smq n PHE 311 Cb 0.29 0.00 0.16 0.00 -1.00 0.00 0.00 39.48 38.93 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 0.04 3.01 0.13 4.37 4.77 -0.97 -3.76 117.00 124.60 1smq n LEU 312 Ca 0.09 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1smq n LEU 312 Cb 0.45 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1smq n LEU 312 CO 0.26 0.71 0.00 -0.67 -1.33 0.00 0.00 177.39 176.36 1smq n ASP 313 N 0.30 -0.04 -0.01 -1.43 4.64 -1.12 -4.56 116.55 114.34 1smq n ASP 313 Ca 0.12 0.45 -0.00 0.00 -1.38 0.00 0.00 54.79 53.98 1smq n ASP 313 Cb 0.49 0.33 -0.00 0.00 -1.04 0.00 0.00 41.12 40.90 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 -3.06 -1.67 0.00 -1.50 -3.46 119.26 109.56 1smq h ALA 314 Ca 0.00 -0.14 -0.70 0.00 0.00 0.00 0.00 54.91 54.07 1smq h ALA 314 Cb 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 17.53 1smq h ALA 314 CO 0.00 0.04 -0.56 -0.51 0.00 0.00 0.00 179.25 178.22 1smq s LEU 315 N -4.90 4.70 -0.13 0.00 1.43 -0.65 -5.00 118.68 114.13 1smq s LEU 315 Ca -0.01 -1.40 -0.29 0.00 -1.03 0.00 0.00 54.13 51.39 1smq s LEU 315 Cb 0.00 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1smq s LEU 315 CO 0.02 -0.42 1.03 -2.84 0.23 0.00 0.00 176.35 174.37 1smq s PRO 316 N 1.36 4.38 0.37 1.29 0.02 -1.25 -4.07 135.00 137.09 1smq s PRO 316 Ca 0.01 1.41 0.25 0.00 0.02 0.00 0.00 61.00 62.69 1smq s PRO 316 Cb -0.21 -3.57 1.34 0.00 0.02 0.00 0.00 34.50 32.08 1smq s PRO 316 CO 0.01 -0.40 1.76 -0.39 -0.33 0.00 0.00 177.00 177.65 1smq h VAL 317 N 5.18 0.00 -0.82 3.83 -1.51 -1.86 -0.22 116.25 120.86 1smq h VAL 317 Ca -0.28 -0.02 0.04 0.00 -1.23 0.00 0.00 66.70 65.21 1smq h VAL 317 Cb 1.13 0.58 -0.05 0.00 -2.13 0.00 0.00 31.29 30.82 1smq h VAL 317 CO 0.89 0.00 0.52 0.00 -1.23 0.00 0.00 177.57 177.75 1smq h ALA 318 N 2.01 1.08 -0.48 5.19 0.00 -1.88 0.20 119.26 125.38 1smq h ALA 318 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.02 1smq h ALA 318 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1smq h ALA 318 CO 0.00 0.33 0.94 -0.07 0.00 0.00 0.00 179.25 180.46 1smq h LEU 319 N 1.01 0.00 -3.78 0.00 3.38 -1.33 0.65 115.31 115.24 1smq h LEU 319 Ca 0.33 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.06 1smq h LEU 319 Cb 0.03 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.47 1smq h LEU 319 CO -0.12 0.00 -0.87 -0.11 0.09 0.00 0.00 178.44 177.43 1smq n LEU 320 N -3.01 2.56 -0.26 1.67 0.00 -0.87 -3.75 117.00 113.34 1smq n LEU 320 Ca 0.10 -3.42 -0.03 0.00 0.00 0.00 0.00 56.01 52.66 1smq n LEU 320 Cb 1.10 -0.11 -0.01 0.00 0.00 0.00 0.00 43.42 44.40 1smq n LEU 320 CO 0.15 1.26 -0.03 0.61 0.00 0.00 0.00 177.39 179.38 1smq n GLY 321 N -0.49 0.64 3.96 -3.96 0.00 0.23 -5.02 105.19 100.56 1smq n GLY 321 Ca 0.19 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.03 3.44 -0.51 1.61 -1.94 0.67 -4.94 119.30 115.59 1smq s MET 322 Ca 0.00 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.09 1smq s MET 322 Cb 0.00 -2.90 0.08 0.00 2.01 0.00 0.00 34.83 34.01 1smq s MET 322 CO 0.00 0.45 0.56 1.21 -0.01 0.00 0.00 175.02 177.23 1smq s ASN 323 N -3.80 6.19 0.40 3.03 2.47 -1.26 -3.07 114.94 118.90 1smq s ASN 323 Ca 0.34 -1.19 0.25 0.00 0.42 0.00 0.00 52.86 52.68 1smq s ASN 323 Cb -0.09 -2.26 1.37 0.00 -1.45 0.00 0.00 41.25 38.82 1smq s ASN 323 CO 0.29 -0.86 1.60 0.00 -3.72 0.00 0.00 177.10 174.41 1smq h ALA 324 N 8.95 2.44 -0.63 1.71 0.00 -1.97 0.61 119.26 130.37 1smq h ALA 324 Ca -0.28 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1smq h ALA 324 Cb 1.10 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1smq h ALA 324 CO 0.97 -1.14 0.14 -0.44 0.00 0.00 0.00 179.25 178.78 1smq h ASP 325 N 0.06 0.94 0.20 0.00 5.19 -1.99 -1.01 116.42 119.81 1smq h ASP 325 Ca 0.84 -0.19 -0.20 0.00 -0.62 0.00 0.00 57.03 56.85 1smq h ASP 325 Cb 2.39 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 41.65 1smq h ASP 325 CO -0.59 0.92 -0.79 -0.07 -3.12 0.00 0.00 179.24 175.58 1smq h LEU 326 N 0.95 0.59 0.65 1.55 3.38 -0.21 -2.12 115.31 120.10 1smq h LEU 326 Ca 0.20 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1smq h LEU 326 Cb 0.35 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1smq h LEU 326 CO 0.00 1.17 -0.31 -0.03 0.09 0.00 0.00 178.44 179.36 1smq h MET 327 N 0.32 -0.85 -0.87 1.13 4.05 -1.07 0.13 114.93 117.77 1smq h MET 327 Ca -0.05 0.06 0.22 0.00 -0.28 0.00 0.00 59.70 59.65 1smq h MET 327 Cb 1.39 0.19 -0.13 0.00 -0.80 0.00 0.00 31.60 32.26 1smq h MET 327 CO 0.14 -0.54 0.33 -0.91 0.23 0.00 0.00 176.91 176.17 1smq h ASN 328 N -0.97 0.22 0.05 1.39 -0.26 -1.23 0.48 115.58 115.26 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 0.70 0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.12 1smq h ASN 328 CO 0.15 -0.04 -0.14 -0.61 -1.06 0.00 0.00 177.43 175.72 1smq h GLN 329 N 0.34 0.20 0.15 0.81 4.15 -0.64 -2.58 115.11 117.54 1smq h GLN 329 Ca 0.54 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.91 1smq h GLN 329 Cb 1.03 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1smq h GLN 329 CO -0.55 0.36 -0.07 -0.92 -1.93 0.00 0.00 178.83 175.71 1smq h TYR 330 N 0.19 -0.18 -0.97 3.99 3.20 0.27 -1.15 116.97 122.32 1smq h TYR 330 Ca 0.04 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.14 1smq h TYR 330 Cb 0.38 0.06 -0.12 0.00 1.54 0.00 0.00 36.73 38.59 1smq h TYR 330 CO 0.00 0.26 0.53 0.28 -1.64 0.00 0.00 178.16 177.60 1smq h VAL 331 N -0.75 0.52 -0.53 1.81 2.07 -1.24 0.76 116.25 118.88 1smq h VAL 331 Ca -0.02 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1smq h VAL 331 Cb 0.53 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1smq h VAL 331 CO 0.03 0.10 0.12 -0.33 0.02 0.00 0.00 177.57 177.51 1smq h GLU 332 N 0.53 0.86 0.18 1.57 5.08 -1.38 -1.57 114.58 119.85 1smq h GLU 332 Ca 0.61 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1smq h GLU 332 Cb 1.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1smq h GLU 332 CO -0.49 0.82 -0.16 0.35 -1.00 0.00 0.00 179.01 178.53 1smq h PHE 333 N 0.75 -0.41 -0.50 4.33 3.57 0.17 -0.69 116.94 124.16 1smq h PHE 333 Ca 0.17 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.76 1smq h PHE 333 Cb 0.35 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.17 1smq h PHE 333 CO 0.02 -0.24 0.05 0.28 -2.23 0.00 0.00 178.31 176.20 1smq h VAL 334 N -0.36 0.66 0.14 1.41 2.07 -0.40 0.12 116.25 119.90 1smq h VAL 334 Ca -0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1smq h VAL 334 Cb 0.33 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1smq h VAL 334 CO -0.03 0.03 -0.07 0.00 0.02 0.00 0.00 177.57 177.53 1smq h ALA 335 N 1.42 -0.19 -0.67 1.67 0.00 -1.17 -1.84 119.26 118.48 1smq h ALA 335 Ca 0.26 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1smq h ALA 335 Cb 0.37 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.11 1smq h ALA 335 CO -0.38 -0.52 -0.30 0.22 0.00 0.00 0.00 179.25 178.27 1smq h ASP 336 N -0.36 -1.06 -0.82 0.00 -0.00 -0.41 0.25 116.42 114.03 1smq h ASP 336 Ca -0.02 0.23 0.10 0.00 -0.00 0.00 0.00 57.03 57.35 1smq h ASP 336 Cb 0.29 0.56 -0.08 0.00 -0.00 0.00 0.00 39.33 40.10 1smq h ASP 336 CO 0.03 -0.29 0.46 -0.09 -0.00 0.00 0.00 179.24 179.35 1smq h ARG 337 N -0.10 0.73 -0.25 0.28 2.43 -0.57 -1.90 114.38 114.98 1smq h ARG 337 Ca 0.28 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1smq h ARG 337 Cb 0.55 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1smq h ARG 337 CO -0.73 0.48 0.02 1.25 -1.51 0.00 0.00 179.97 179.49 1smq h LEU 338 N 0.75 0.42 -0.39 3.80 5.85 0.22 -2.70 115.31 123.27 1smq h LEU 338 Ca 0.40 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1smq h LEU 338 Cb 0.40 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 1smq h LEU 338 CO -0.26 0.59 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.14 1smq h LEU 339 N 0.23 -0.74 -1.44 2.25 -0.00 -0.01 0.21 115.31 115.82 1smq h LEU 339 Ca 0.07 0.16 0.05 0.00 -0.00 0.00 0.00 57.88 58.16 1smq h LEU 339 Cb 0.37 0.38 -0.04 0.00 -0.00 0.00 0.00 40.66 41.37 1smq h LEU 339 CO 0.01 -0.25 0.43 0.58 -0.00 0.00 0.00 178.44 179.21 1smq h VAL 340 N -0.15 1.04 0.00 1.22 2.07 -1.37 0.84 116.25 119.90 1smq h VAL 340 Ca 0.19 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1smq h VAL 340 Cb 0.45 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1smq h VAL 340 CO -0.48 0.13 -0.17 0.00 0.02 0.00 0.00 177.57 177.07 1smq h ALA 341 N 1.64 1.60 0.00 1.67 0.00 -0.32 -2.03 119.26 121.82 1smq h ALA 341 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1smq h ALA 341 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1smq h ALA 341 CO -0.08 0.21 -0.57 1.19 0.00 0.00 0.00 179.25 180.00 1smq n PHE 342 N -4.16 0.40 0.00 0.00 0.99 0.20 -4.89 117.46 110.00 1smq n PHE 342 Ca -0.02 0.12 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 1smq n PHE 342 Cb 0.24 -0.56 0.00 0.00 -1.00 0.00 0.00 39.48 38.16 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 1.38 1.87 1.13 1.37 0.00 -0.65 -5.00 105.19 105.30 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 -4.42 1.61 5.03 -1.01 -4.91 115.26 109.36 1smq n ASN 344 Ca 0.00 -0.47 -0.30 0.00 0.87 0.00 0.00 54.58 54.68 1smq n ASN 344 Cb 0.00 -0.34 -0.13 0.00 -1.02 0.00 0.00 39.78 38.29 1smq n ASN 344 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1smq s LYS 345 N -3.76 1.87 -0.35 3.52 0.00 -1.26 -4.03 119.74 115.73 1smq s LYS 345 Ca 0.23 -1.09 -0.42 0.00 0.00 0.00 0.00 55.97 54.69 1smq s LYS 345 Cb -0.03 -2.08 -0.16 0.00 0.00 0.00 0.00 37.83 35.55 1smq s LYS 345 CO 0.19 0.51 1.77 1.63 0.00 0.00 0.00 175.35 179.45 1smq n LYS 346 N 1.41 0.84 -0.03 1.78 5.02 -1.26 -4.82 118.16 121.10 1smq n LYS 346 Ca -0.16 0.30 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1smq n LYS 346 Cb 0.52 -1.97 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 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 5.53 0.88 -0.00 2.13 4.19 -1.26 -4.46 117.16 124.17 1smq n TYR 347 Ca 0.30 0.28 -0.18 0.00 3.31 0.00 0.00 57.90 61.62 1smq n TYR 347 Cb 0.09 -1.15 -0.14 0.00 0.49 0.00 0.00 39.34 38.63 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 0.30 -0.22 2.98 -1.99 -1.88 -3.47 116.97 112.70 1smq h TYR 348 Ca -0.36 -0.22 -0.09 0.00 2.00 0.00 0.00 58.73 60.06 1smq h TYR 348 Cb 2.05 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 40.73 1smq h TYR 348 CO 0.02 1.19 -0.09 1.63 -0.00 0.00 0.00 178.16 180.92 1smq n LYS 349 N -4.33 -1.01 -1.42 4.88 5.02 -1.26 -5.02 118.16 115.02 1smq n LYS 349 Ca -0.13 0.53 -0.30 0.00 -2.02 0.00 0.00 58.31 56.39 1smq n LYS 349 Cb 0.68 -4.44 0.21 0.00 -0.02 0.00 0.00 35.03 31.46 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 -1.82 1.78 0.24 -0.18 -7.23 -1.26 -5.09 120.40 106.83 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 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 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 -5.55 1.34 -0.65 4.82 2.02 -1.26 -4.83 118.70 114.60 1smq s GLU 351 Ca 0.71 -1.70 -0.26 0.00 0.02 0.00 0.00 54.97 53.75 1smq s GLU 351 Cb -0.08 -0.45 -0.12 0.00 0.10 0.00 0.00 34.13 33.58 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 -0.42 1.83 0.00 -0.19 2.85 -1.26 -4.76 115.26 113.31 1smq n ASN 352 Ca -0.03 -0.77 0.07 0.00 -0.11 0.00 0.00 54.58 53.73 1smq n ASN 352 Cb 0.65 -1.51 0.40 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 8.75 0.67 -4.58 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 -1.31 -0.15 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.20 -0.26 0.18 0.00 0.12 0.00 0.00 56.93 57.17 1smq s PHE 354 Cb 0.09 -0.80 -0.23 0.00 -0.57 0.00 0.00 43.02 41.51 1smq s PHE 354 CO 0.15 -0.06 0.44 -0.40 -0.10 0.00 0.00 175.22 175.25 1smq n ASP 355 N 2.93 0.35 0.00 1.36 5.75 -1.26 -4.05 116.55 121.63 1smq n ASP 355 Ca -0.16 0.16 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1smq n ASP 355 Cb 0.55 0.83 0.36 0.00 -1.03 0.00 0.00 41.12 41.83 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 -2.73 0.03 0.21 2.11 1.16 -1.26 -1.27 117.46 115.72 1smq n PHE 356 Ca -0.19 0.01 0.12 0.00 -1.87 0.00 0.00 57.45 55.52 1smq n PHE 356 Cb 0.94 -0.52 0.24 0.00 -1.61 0.00 0.00 39.48 38.52 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 -1.53 2.55 -0.12 3.97 2.81 -1.26 -4.24 117.12 119.30 1smq n MET 357 Ca 0.04 -2.35 -0.01 0.00 -1.81 0.00 0.00 57.70 53.57 1smq n MET 357 Cb 0.20 -1.53 0.24 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 4.47 0.80 0.00 0.03 4.11 -1.36 -3.51 114.58 119.12 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 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1smq h GLU 358 CO 0.00 0.66 0.00 0.09 0.07 0.00 0.00 179.01 179.83