#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3m s GLU 35 N 0.00 4.59 0.11 1.64 2.12 -1.26 -5.03 118.70 120.87 3g3m s GLU 35 Ca 0.00 1.50 -0.14 0.00 0.36 0.00 0.00 54.97 56.69 3g3m s GLU 35 Cb 0.00 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 30.92 3g3m s GLU 35 CO 0.00 0.02 0.52 -0.51 -0.54 0.00 0.00 175.26 174.75 3g3m s LEU 36 N 0.57 4.38 0.96 2.70 1.43 -1.26 -5.01 118.68 122.45 3g3m s LEU 36 Ca 0.51 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 3g3m s LEU 36 Cb -0.24 -3.11 0.17 0.00 0.03 0.00 0.00 46.19 43.05 3g3m s LEU 36 CO 0.29 0.16 1.11 -0.94 0.23 0.00 0.00 176.35 177.21 3g3m s SER 37 N -1.57 2.58 0.26 2.29 1.04 -1.26 -4.76 113.70 112.30 3g3m s SER 37 Ca 0.34 2.00 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 3g3m s SER 37 Cb -0.16 -2.50 0.50 0.00 0.10 0.00 0.00 66.02 63.96 3g3m s SER 37 CO 0.18 -3.28 1.81 -0.26 0.98 0.00 0.00 173.24 172.67 3g3m h PHE 38 N -1.99 0.96 -0.50 5.02 0.04 -1.98 -0.47 116.94 118.02 3g3m h PHE 38 Ca -0.47 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.25 3g3m h PHE 38 Cb 1.28 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.11 3g3m h PHE 38 CO 0.45 0.36 0.01 0.78 -0.60 0.00 0.00 178.31 179.31 3g3m h GLY 39 N 0.84 0.90 1.20 -1.45 0.00 -1.92 -1.29 103.07 101.36 3g3m h GLY 39 Ca 0.46 -0.60 -0.22 0.00 0.00 0.00 0.00 47.33 46.96 3g3m h GLY 39 CO -0.28 0.56 -0.79 0.00 0.00 0.00 0.00 176.54 176.03 3g3m h ALA 40 N 1.23 0.32 -0.55 3.60 0.00 -1.79 -3.08 119.26 118.98 3g3m h ALA 40 Ca 0.15 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3g3m h ALA 40 Cb 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3g3m h ALA 40 CO 0.02 0.69 0.37 0.00 0.00 0.00 0.00 179.25 180.32 3g3m h ARG 41 N 0.53 0.53 0.00 0.00 3.08 -0.81 -0.66 114.38 117.06 3g3m h ARG 41 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3g3m h ARG 41 Cb 1.42 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3g3m h ARG 41 CO 0.16 0.35 0.15 0.00 -1.07 0.00 0.00 179.97 179.57 3g3m h ALA 42 N 1.69 1.15 -0.02 0.04 0.00 -1.14 -1.90 119.26 119.09 3g3m h ALA 42 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3g3m h ALA 42 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3g3m h ALA 42 CO -0.06 -0.15 -0.13 0.39 0.00 0.00 0.00 179.25 179.29 3g3m n GLU 43 N -2.98 1.50 -1.63 0.00 1.02 -0.26 -4.68 120.64 113.61 3g3m n GLU 43 Ca -0.03 -1.26 -0.41 0.00 -0.02 0.00 0.00 57.16 55.44 3g3m n GLU 43 Cb 0.21 -1.31 0.01 0.00 -0.02 0.00 0.00 31.44 30.33 3g3m n GLU 43 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3g3m n LEU 44 N 0.56 2.97 -0.34 -4.62 4.77 -0.72 -4.87 117.00 114.75 3g3m n LEU 44 Ca 0.09 1.06 0.12 0.00 -0.03 0.00 0.00 56.01 57.25 3g3m n LEU 44 Cb 0.40 -1.39 0.31 0.00 -2.33 0.00 0.00 43.42 40.41 3g3m n LEU 44 CO 0.15 -1.26 1.16 -0.65 -1.33 0.00 0.00 177.39 175.46 3g3m h PRO 45 N 1.69 0.68 -0.65 3.23 0.11 -1.95 -1.97 132.00 133.13 3g3m h PRO 45 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3g3m h PRO 45 Cb 1.33 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3g3m h PRO 45 CO 0.58 0.45 0.00 0.54 -0.21 0.00 0.00 178.00 179.35 3g3m n ARG 46 N -4.82 2.64 -2.02 1.05 1.74 -1.26 -4.97 116.66 109.03 3g3m n ARG 46 Ca 0.22 -2.37 -0.41 0.00 -0.77 0.00 0.00 57.85 54.52 3g3m n ARG 46 Cb 0.57 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 30.44 3g3m n ARG 46 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3g3m s ILE 47 N -1.23 2.51 0.30 0.55 1.10 -0.74 -5.00 121.20 118.68 3g3m s ILE 47 Ca 0.44 0.51 -0.27 0.00 -0.51 0.00 0.00 60.65 60.83 3g3m s ILE 47 Cb 0.24 -3.33 -0.10 0.00 0.15 0.00 0.00 42.46 39.42 3g3m s ILE 47 CO 0.28 0.12 0.93 -2.28 -2.11 0.00 0.00 174.94 171.89 3g3m s HIS 48 N -1.13 3.77 0.38 3.50 5.65 -1.26 -4.91 115.29 121.28 3g3m s HIS 48 Ca 0.50 1.80 0.13 0.00 0.25 0.00 0.00 55.06 57.74 3g3m s HIS 48 Cb -0.42 -2.92 0.95 0.00 -1.18 0.00 0.00 32.58 29.01 3g3m s HIS 48 CO 0.56 0.28 1.84 -1.35 -0.65 0.00 0.00 174.74 175.43 3g3m h PRO 49 N 3.45 0.53 -0.27 2.88 0.11 -1.96 -0.14 132.00 136.60 3g3m h PRO 49 Ca -0.46 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3g3m h PRO 49 Cb 1.19 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3g3m h PRO 49 CO 0.66 0.35 -0.22 0.28 -0.21 0.00 0.00 178.00 178.86 3g3m h VAL 50 N 0.55 1.30 -0.57 3.15 2.07 -1.93 -1.52 116.25 119.30 3g3m h VAL 50 Ca 0.48 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3g3m h VAL 50 Cb 1.01 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3g3m h VAL 50 CO -0.22 0.43 0.36 0.00 0.02 0.00 0.00 177.57 178.16 3g3m h ALA 51 N 0.71 0.73 -0.35 1.67 0.00 -1.72 -1.85 119.26 118.44 3g3m h ALA 51 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g3m h ALA 51 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3g3m h ALA 51 CO 0.06 0.11 0.22 0.77 0.00 0.00 0.00 179.25 180.41 3g3m h SER 52 N 0.72 0.41 -0.64 0.00 0.02 -0.89 0.96 113.55 114.14 3g3m h SER 52 Ca 0.22 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3g3m h SER 52 Cb -0.03 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3g3m h SER 52 CO -0.07 0.31 0.41 0.50 -1.14 0.00 0.00 176.83 176.84 3g3m h LYS 53 N 0.47 0.81 0.18 3.45 3.64 -1.10 -0.45 116.57 123.56 3g3m h LYS 53 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3g3m h LYS 53 Cb -0.03 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3g3m h LYS 53 CO -0.03 0.53 -0.09 1.25 -2.27 0.00 0.00 179.45 178.85 3g3m h LEU 54 N 0.83 -0.20 -1.08 5.20 5.85 -1.04 -2.25 115.31 122.62 3g3m h LEU 54 Ca 0.24 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3g3m h LEU 54 Cb -0.06 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3g3m h LEU 54 CO -0.07 -0.02 0.62 -0.07 -0.34 0.00 0.00 178.44 178.56 3g3m h LEU 55 N -0.38 1.02 -0.60 2.25 3.38 -0.56 -0.06 115.31 120.37 3g3m h LEU 55 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3g3m h LEU 55 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3g3m h LEU 55 CO 0.04 0.70 0.17 0.03 0.09 0.00 0.00 178.44 179.47 3g3m h ARG 56 N 1.19 0.95 0.00 1.13 3.08 -1.03 -2.30 114.38 117.40 3g3m h ARG 56 Ca 0.38 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 3g3m h ARG 56 Cb 0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3g3m h ARG 56 CO -0.12 0.86 -0.62 1.37 -1.07 0.00 0.00 179.97 180.39 3g3m h LEU 57 N 0.86 0.00 -0.32 3.04 8.10 -0.80 -0.84 115.31 125.35 3g3m h LEU 57 Ca 0.19 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.20 3g3m h LEU 57 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.52 3g3m h LEU 57 CO -0.00 0.62 0.18 0.24 -4.11 0.00 0.00 178.44 175.37 3g3m h MET 58 N 0.00 0.36 -0.19 0.17 2.86 -0.90 -0.63 114.93 116.59 3g3m h MET 58 Ca -0.01 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 3g3m h MET 58 Cb 1.37 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 3g3m h MET 58 CO 0.08 0.24 -0.63 0.37 1.06 0.00 0.00 176.91 178.02 3g3m h GLN 59 N 0.37 0.68 -0.56 1.72 4.15 -1.26 -0.27 115.11 119.93 3g3m h GLN 59 Ca 0.13 -0.48 -0.00 0.00 0.77 0.00 0.00 58.65 59.07 3g3m h GLN 59 Cb 0.02 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3g3m h GLN 59 CO -0.07 1.10 0.34 -0.22 -1.93 0.00 0.00 178.83 178.04 3g3m h LYS 60 N 0.50 0.77 -0.02 1.69 3.64 -1.04 -3.20 116.57 118.92 3g3m h LYS 60 Ca -0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3g3m h LYS 60 Cb 1.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3g3m h LYS 60 CO 0.13 0.56 -0.26 1.63 -2.27 0.00 0.00 179.45 179.24 3g3m n LYS 61 N -4.64 1.34 -3.63 1.90 5.02 -0.26 -4.96 118.16 112.94 3g3m n LYS 61 Ca 0.03 -0.98 -0.25 0.00 -2.02 0.00 0.00 58.31 55.09 3g3m n LYS 61 Cb 0.06 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.63 3g3m n LYS 61 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3g3m n GLU 62 N 0.03 -2.50 -3.73 1.97 1.02 -0.17 -5.01 120.64 112.25 3g3m n GLU 62 Ca 0.12 0.57 -0.12 0.00 -0.02 0.00 0.00 57.16 57.71 3g3m n GLU 62 Cb 0.43 -4.73 -0.13 0.00 -0.02 0.00 0.00 31.44 26.99 3g3m n GLU 62 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3g3m s THR 63 N -3.54 -0.04 -0.24 2.62 -1.32 -0.85 -4.93 115.64 107.35 3g3m s THR 63 Ca 0.32 0.14 0.12 0.00 -1.21 0.00 0.00 61.69 61.05 3g3m s THR 63 Cb -0.09 -0.38 0.45 0.00 -1.51 0.00 0.00 72.50 70.96 3g3m s THR 63 CO 0.83 0.06 1.19 -0.46 -2.21 0.00 0.00 174.62 174.03 3g3m n ASN 64 N 4.18 3.16 -4.56 8.08 6.94 -1.26 -4.38 115.26 127.42 3g3m n ASN 64 Ca -0.25 -3.49 -0.35 0.00 -0.02 0.00 0.00 54.58 50.47 3g3m n ASN 64 Cb 0.53 -0.42 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 3g3m n ASN 64 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3g3m s LEU 65 N -3.22 3.60 -0.22 -4.53 2.96 -1.26 -1.66 118.68 114.34 3g3m s LEU 65 Ca 0.43 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 54.24 3g3m s LEU 65 Cb 0.39 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3g3m s LEU 65 CO -0.02 0.12 0.01 0.00 -1.32 0.00 0.00 176.35 175.13 3g3m s LEU 67 N 1.37 4.22 -0.74 0.00 2.96 -0.53 -1.55 118.68 124.42 3g3m s LEU 67 Ca 0.05 1.60 -0.20 0.00 -0.22 0.00 0.00 54.13 55.35 3g3m s LEU 67 Cb -0.15 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.09 3g3m s LEU 67 CO 0.01 -0.55 0.96 -0.55 -1.32 0.00 0.00 176.35 174.89 3g3m s SER 68 N 1.30 6.34 -1.39 3.68 0.15 0.29 -0.21 113.70 123.87 3g3m s SER 68 Ca 0.50 -1.48 -0.14 0.00 0.70 0.00 0.00 55.95 55.54 3g3m s SER 68 Cb -0.20 -2.38 0.08 0.00 -1.71 0.00 0.00 66.02 61.81 3g3m s SER 68 CO 0.17 -1.23 2.06 0.00 1.20 0.00 0.00 173.24 175.44 3g3m n ALA 69 N 6.94 5.17 -3.02 5.45 0.00 -0.36 -4.30 120.51 130.38 3g3m n ALA 69 Ca 0.04 -3.98 -0.44 0.00 0.00 0.00 0.00 53.44 49.06 3g3m n ALA 69 Cb 0.46 -3.41 -0.01 0.00 0.00 0.00 0.00 19.45 16.49 3g3m n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g3m s ASP 70 N 2.83 7.01 0.17 0.00 1.01 -1.26 -4.64 116.67 121.78 3g3m s ASP 70 Ca 0.46 -2.89 0.02 0.00 0.71 0.00 0.00 52.55 50.85 3g3m s ASP 70 Cb 0.11 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.63 3g3m s ASP 70 CO -0.04 -0.73 -0.02 0.68 0.21 0.00 0.00 175.17 175.27 3g3m s VAL 71 N 1.28 0.75 -1.01 -1.27 -7.23 -1.26 -5.02 120.40 106.64 3g3m s VAL 71 Ca 0.38 -1.99 0.18 0.00 -1.81 0.00 0.00 61.98 58.74 3g3m s VAL 71 Cb -0.05 -2.06 -0.16 0.00 0.56 0.00 0.00 36.38 34.68 3g3m s VAL 71 CO -0.03 -0.54 0.79 -1.20 -0.31 0.00 0.00 175.10 173.81 3g3m n SER 72 N -0.23 1.03 -4.23 4.85 7.64 -1.26 -4.53 113.62 116.89 3g3m n SER 72 Ca -0.07 -1.01 -0.35 0.00 1.01 0.00 0.00 58.87 58.45 3g3m n SER 72 Cb 0.63 0.90 -0.14 0.00 -1.01 0.00 0.00 64.21 64.58 3g3m n SER 72 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3g3m s LEU 73 N -2.72 3.01 0.29 -3.43 2.96 -1.26 -0.86 118.68 116.67 3g3m s LEU 73 Ca 0.08 -0.69 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 3g3m s LEU 73 Cb 0.14 -1.68 0.74 0.00 0.50 0.00 0.00 46.19 45.89 3g3m s LEU 73 CO 0.68 -0.08 1.65 0.00 -1.32 0.00 0.00 176.35 177.28 3g3m h ALA 74 N 8.05 1.33 -0.24 5.97 0.00 -1.92 -0.04 119.26 132.41 3g3m h ALA 74 Ca -0.37 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3g3m h ALA 74 Cb 1.13 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3g3m h ALA 74 CO 0.59 -0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.35 3g3m h ARG 75 N 0.23 0.36 0.06 0.00 -0.00 -1.97 -0.27 114.38 112.79 3g3m h ARG 75 Ca 0.56 -0.07 -0.26 0.00 -0.50 0.00 0.00 59.98 59.72 3g3m h ARG 75 Cb 1.15 -0.06 0.02 0.00 0.00 0.00 0.00 29.97 31.08 3g3m h ARG 75 CO -0.64 0.41 -1.05 1.49 0.00 0.00 0.00 179.97 180.17 3g3m h GLU 76 N 0.35 0.61 -0.34 0.04 4.81 -1.49 -1.59 114.58 116.96 3g3m h GLU 76 Ca 0.08 -0.73 0.07 0.00 -0.13 0.00 0.00 59.36 58.64 3g3m h GLU 76 Cb 0.28 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 3g3m h GLU 76 CO 0.01 1.31 -0.07 1.25 -0.73 0.00 0.00 179.01 180.78 3g3m h LEU 77 N 0.22 -0.29 -0.38 1.64 5.85 -0.79 -0.33 115.31 121.23 3g3m h LEU 77 Ca -0.15 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 3g3m h LEU 77 Cb 1.73 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.96 3g3m h LEU 77 CO 0.20 -0.10 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.66 3g3m h LEU 78 N 0.01 0.93 -1.06 2.25 3.38 -1.09 -0.39 115.31 119.35 3g3m h LEU 78 Ca 0.17 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3g3m h LEU 78 Cb 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3g3m h LEU 78 CO -0.34 1.25 0.03 1.56 0.09 0.00 0.00 178.44 181.03 3g3m h GLN 79 N 0.68 0.71 -0.26 1.13 4.20 -1.08 -1.18 115.11 119.31 3g3m h GLN 79 Ca 0.04 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 3g3m h GLN 79 Cb 1.06 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 3g3m h GLN 79 CO 0.11 0.70 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.64 3g3m h LEU 80 N 0.67 0.66 -1.20 1.46 3.38 -0.88 -2.11 115.31 117.30 3g3m h LEU 80 Ca 0.14 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3g3m h LEU 80 Cb 0.37 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3g3m h LEU 80 CO 0.01 1.00 0.50 0.00 0.09 0.00 0.00 178.44 180.04 3g3m h ALA 81 N 0.68 1.41 0.06 1.53 0.00 -0.82 0.49 119.26 122.62 3g3m h ALA 81 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g3m h ALA 81 Cb 0.81 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3g3m h ALA 81 CO 0.06 0.53 -0.03 0.22 0.00 0.00 0.00 179.25 180.03 3g3m h ASP 82 N 1.07 -0.07 -0.17 0.00 3.58 -1.19 -1.02 116.42 118.60 3g3m h ASP 82 Ca 0.28 -0.51 -0.13 0.00 0.42 0.00 0.00 57.03 57.10 3g3m h ASP 82 Cb -0.10 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3g3m h ASP 82 CO -0.06 0.50 -0.33 0.00 -2.88 0.00 0.00 179.24 176.48 3g3m h ALA 83 N 0.18 0.84 -0.01 -0.78 0.00 -1.29 -3.19 119.26 115.02 3g3m h ALA 83 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3g3m h ALA 83 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3g3m h ALA 83 CO 0.01 0.64 -0.62 1.28 0.00 0.00 0.00 179.25 180.56 3g3m n LEU 84 N -4.07 1.14 -0.24 0.00 4.32 0.15 -4.52 117.00 113.79 3g3m n LEU 84 Ca -0.01 -0.40 0.04 0.00 -0.02 0.00 0.00 56.01 55.62 3g3m n LEU 84 Cb 0.48 -0.08 0.16 0.00 -1.62 0.00 0.00 43.42 42.36 3g3m n LEU 84 CO 0.45 0.24 0.89 1.23 -1.22 0.00 0.00 177.39 178.99 3g3m h GLY 85 N 4.95 0.91 2.00 -0.72 0.00 -1.17 0.94 103.07 109.98 3g3m h GLY 85 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3g3m h GLY 85 CO 0.00 -0.21 -0.00 -2.55 0.00 0.00 0.00 176.54 173.77 3g3m h PRO 86 N 0.21 0.00 -0.00 4.80 0.11 -1.80 -2.81 132.00 132.50 3g3m h PRO 86 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3g3m h PRO 86 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3g3m h PRO 86 CO -0.54 0.00 -0.50 0.43 -0.21 0.00 0.00 178.00 177.19 3g3m n SER 87 N -3.10 0.81 -4.36 -2.05 7.64 0.31 -4.97 113.62 107.90 3g3m n SER 87 Ca -0.02 -0.61 -0.26 0.00 1.01 0.00 0.00 58.87 58.99 3g3m n SER 87 Cb 0.13 0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 63.54 3g3m n SER 87 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3g3m s ILE 88 N -2.82 2.06 -0.88 0.44 -4.36 -1.06 -4.68 121.20 109.90 3g3m s ILE 88 Ca 0.15 -1.82 0.23 0.00 -0.26 0.00 0.00 60.65 58.95 3g3m s ILE 88 Cb 0.18 -1.90 -0.11 0.00 1.25 0.00 0.00 42.46 41.89 3g3m s ILE 88 CO 0.66 -0.09 1.13 0.00 0.24 0.00 0.00 174.94 176.88 3g3m s MET 90 N -3.06 0.80 -0.17 0.00 -2.45 -1.24 -1.62 119.30 111.56 3g3m s MET 90 Ca 0.08 0.52 0.01 0.00 -1.25 0.00 0.00 55.69 55.05 3g3m s MET 90 Cb 0.16 0.38 0.02 0.00 1.25 0.00 0.00 34.83 36.64 3g3m s MET 90 CO 0.79 -0.18 -0.18 -1.17 1.05 0.00 0.00 175.02 175.32 3g3m s LEU 91 N -0.44 2.01 -0.19 4.11 0.20 0.09 -1.45 118.68 123.02 3g3m s LEU 91 Ca -0.03 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.08 3g3m s LEU 91 Cb -0.03 -1.40 -0.05 0.00 -0.43 0.00 0.00 46.19 44.29 3g3m s LEU 91 CO 0.03 -0.01 0.15 -0.75 -0.29 0.00 0.00 176.35 175.47 3g3m s LYS 92 N 1.34 4.13 0.19 1.98 2.20 0.71 -1.18 119.74 129.11 3g3m s LYS 92 Ca 0.05 -0.18 0.08 0.00 -0.36 0.00 0.00 55.97 55.55 3g3m s LYS 92 Cb -0.13 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3g3m s LYS 92 CO -0.12 0.34 0.01 0.95 -0.36 0.00 0.00 175.35 176.17 3g3m s THR 93 N 0.24 3.73 -0.45 3.43 -4.23 0.41 -1.22 115.64 117.55 3g3m s THR 93 Ca 0.09 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 3g3m s THR 93 Cb -0.11 -2.90 0.12 0.00 1.34 0.00 0.00 72.50 70.95 3g3m s THR 93 CO -0.01 -0.16 0.19 -1.00 -0.54 0.00 0.00 174.62 173.10 3g3m s HIS 94 N -1.84 3.20 0.55 3.99 3.76 -1.26 -0.86 115.29 122.82 3g3m s HIS 94 Ca 0.28 -3.00 0.21 0.00 -0.15 0.00 0.00 55.06 52.40 3g3m s HIS 94 Cb -0.09 -2.73 1.47 0.00 1.11 0.00 0.00 32.58 32.34 3g3m s HIS 94 CO 0.19 -0.81 2.18 -0.24 -0.85 0.00 0.00 174.74 175.21 3g3m h VAL 95 N 5.85 0.82 0.00 -0.90 3.04 -1.97 -1.89 116.25 121.21 3g3m h VAL 95 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3g3m h VAL 95 Cb 0.94 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 3g3m h VAL 95 CO 0.61 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.27 3g3m n ASP 96 N -4.29 0.00 -0.30 3.17 5.75 -1.26 -2.80 116.55 116.82 3g3m n ASP 96 Ca -0.03 -1.21 0.03 0.00 -0.01 0.00 0.00 54.79 53.57 3g3m n ASP 96 Cb 0.10 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.25 3g3m n ASP 96 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3g3m n ILE 97 N -0.89 0.66 -2.92 2.12 -5.35 -0.71 -4.96 119.36 107.31 3g3m n ILE 97 Ca 0.19 -0.83 -0.43 0.00 -0.27 0.00 0.00 62.75 61.41 3g3m n ILE 97 Cb 0.09 0.71 -0.05 0.00 -1.74 0.00 0.00 39.64 38.65 3g3m n ILE 97 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3g3m s LEU 98 N -0.82 4.16 0.45 7.28 2.96 -1.12 -4.39 118.68 127.20 3g3m s LEU 98 Ca 0.10 0.04 0.12 0.00 -0.22 0.00 0.00 54.13 54.17 3g3m s LEU 98 Cb 0.06 -3.04 1.03 0.00 0.50 0.00 0.00 46.19 44.74 3g3m s LEU 98 CO 0.08 -0.92 2.06 0.78 -1.32 0.00 0.00 176.35 177.02 3g3m h ASN 99 N 8.92 0.30 -0.57 3.68 2.35 -1.34 -2.59 115.58 126.34 3g3m h ASN 99 Ca -0.24 -0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.09 3g3m h ASN 99 Cb 1.08 -0.07 -0.31 0.00 0.05 0.00 0.00 38.32 39.08 3g3m h ASN 99 CO 0.97 0.21 -0.64 -0.90 -1.65 0.00 0.00 177.43 175.42 3g3m n ASP 100 N -4.48 4.18 -4.58 5.81 5.68 -1.26 -5.05 116.55 116.84 3g3m n ASP 100 Ca 0.04 -3.79 -0.49 0.00 -0.50 0.00 0.00 54.79 50.05 3g3m n ASP 100 Cb 0.18 -0.43 -0.04 0.00 -1.14 0.00 0.00 41.12 39.69 3g3m n ASP 100 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 3g3m n PHE 101 N -0.83 1.36 -3.97 2.11 7.35 -0.98 -4.79 117.46 117.70 3g3m n PHE 101 Ca 0.38 0.66 -0.09 0.00 -0.76 0.00 0.00 57.45 57.64 3g3m n PHE 101 Cb 0.89 -2.29 -0.08 0.00 0.35 0.00 0.00 39.48 38.36 3g3m n PHE 101 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3g3m s THR 102 N -0.19 0.09 0.40 -2.13 -4.23 -1.26 -5.03 115.64 103.29 3g3m s THR 102 Ca 0.73 -1.44 0.16 0.00 -1.18 0.00 0.00 61.69 59.95 3g3m s THR 102 Cb -0.84 -1.76 0.16 0.00 1.34 0.00 0.00 72.50 71.40 3g3m s THR 102 CO 0.52 -0.42 1.92 -0.07 -0.54 0.00 0.00 174.62 176.04 3g3m h LEU 103 N 2.66 0.00 -0.77 4.79 3.38 -1.94 -1.97 115.31 121.46 3g3m h LEU 103 Ca -0.33 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3g3m h LEU 103 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 3g3m h LEU 103 CO 0.52 0.26 0.48 -0.78 0.09 0.00 0.00 178.44 179.02 3g3m h ASP 104 N 0.00 0.80 -0.72 -0.43 3.58 -1.99 -1.35 116.42 116.31 3g3m h ASP 104 Ca -0.00 -0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.52 3g3m h ASP 104 Cb 0.49 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 3g3m h ASP 104 CO 0.03 0.55 0.39 0.58 -2.88 0.00 0.00 179.24 177.91 3g3m h VAL 105 N 0.94 0.92 -0.17 2.25 2.07 -1.73 -0.53 116.25 120.00 3g3m h VAL 105 Ca 0.31 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 3g3m h VAL 105 Cb 0.02 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3g3m h VAL 105 CO -0.12 0.13 -0.28 0.24 0.02 0.00 0.00 177.57 177.56 3g3m h MET 106 N 0.69 0.32 -0.50 1.57 2.86 -1.30 -0.96 114.93 117.60 3g3m h MET 106 Ca 0.34 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3g3m h MET 106 Cb 0.28 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3g3m h MET 106 CO -0.22 0.58 0.28 0.87 1.06 0.00 0.00 176.91 179.48 3g3m h LYS 107 N 0.28 0.70 -0.42 1.72 1.79 -0.06 0.10 116.57 120.68 3g3m h LYS 107 Ca 0.04 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 3g3m h LYS 107 Cb 0.65 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 3g3m h LYS 107 CO 0.05 0.54 0.22 0.93 -1.08 0.00 0.00 179.45 180.10 3g3m h GLU 108 N 0.67 0.43 -0.73 3.15 5.08 -0.88 -1.24 114.58 121.07 3g3m h GLU 108 Ca 0.18 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3g3m h GLU 108 Cb 0.04 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3g3m h GLU 108 CO -0.03 0.28 0.47 1.25 -1.00 0.00 0.00 179.01 179.98 3g3m h LEU 109 N 0.44 0.79 -0.90 1.33 5.85 -0.76 -1.28 115.31 120.78 3g3m h LEU 109 Ca 0.18 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3g3m h LEU 109 Cb 0.07 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3g3m h LEU 109 CO -0.12 0.56 0.47 0.40 -0.34 0.00 0.00 178.44 179.41 3g3m h ILE 110 N 0.93 1.26 -0.42 4.05 2.04 -0.55 0.15 117.51 124.97 3g3m h ILE 110 Ca 0.28 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.51 3g3m h ILE 110 Cb -0.03 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 3g3m h ILE 110 CO -0.09 0.30 0.18 0.74 0.00 0.00 0.00 178.15 179.28 3g3m h THR 111 N 1.25 0.91 -0.71 -0.27 2.02 -0.28 -0.23 112.91 115.60 3g3m h THR 111 Ca 0.31 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 3g3m h THR 111 Cb 0.06 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3g3m h THR 111 CO -0.05 0.07 0.21 -0.07 0.37 0.00 0.00 175.52 176.04 3g3m h LEU 112 N 0.36 1.05 -0.90 2.58 3.38 -0.79 -2.98 115.31 118.01 3g3m h LEU 112 Ca 0.19 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g3m h LEU 112 Cb 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3g3m h LEU 112 CO -0.17 0.99 0.58 0.00 0.09 0.00 0.00 178.44 179.93 3g3m h ALA 113 N 1.10 1.14 0.00 1.53 0.00 -0.45 -0.14 119.26 122.44 3g3m h ALA 113 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3g3m h ALA 113 Cb 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3g3m h ALA 113 CO -0.00 0.57 0.00 1.63 0.00 0.00 0.00 179.25 181.44 3g3m n LYS 114 N -4.43 0.51 0.00 0.00 5.02 -0.14 -0.56 118.16 118.55 3g3m n LYS 114 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3g3m n LYS 114 Cb 0.03 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3g3m n LYS 114 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3g3m n HIS 116 N 0.39 0.00 -2.47 2.13 8.25 -0.07 -4.86 115.22 118.59 3g3m n HIS 116 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3g3m n HIS 116 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3g3m n HIS 116 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3g3m n GLU 117 N -0.01 -1.27 -3.95 -0.41 1.02 0.27 -4.59 120.64 111.70 3g3m n GLU 117 Ca 0.00 1.40 -0.09 0.00 -0.02 0.00 0.00 57.16 58.45 3g3m n GLU 117 Cb 0.00 -4.34 -0.09 0.00 -0.02 0.00 0.00 31.44 26.99 3g3m n GLU 117 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3g3m s PHE 118 N -2.51 0.26 0.44 -0.32 -0.12 -0.49 -4.81 117.98 110.44 3g3m s PHE 118 Ca 0.09 -0.63 -0.09 0.00 -0.05 0.00 0.00 56.93 56.26 3g3m s PHE 118 Cb -0.03 -0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 3g3m s PHE 118 CO 0.51 -0.39 0.79 -0.51 -0.05 0.00 0.00 175.22 175.57 3g3m s LEU 119 N -2.37 3.73 -0.20 -1.99 1.43 -0.64 -4.63 118.68 114.01 3g3m s LEU 119 Ca -0.01 1.08 -0.07 0.00 -1.03 0.00 0.00 54.13 54.10 3g3m s LEU 119 Cb 0.01 -4.00 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 3g3m s LEU 119 CO -0.06 -0.49 0.05 -0.63 0.23 0.00 0.00 176.35 175.45 3g3m s ILE 120 N -2.54 4.48 -0.24 -0.59 1.01 -1.26 -0.73 121.20 121.34 3g3m s ILE 120 Ca 0.50 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.03 3g3m s ILE 120 Cb -0.10 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.39 3g3m s ILE 120 CO 0.37 0.43 -0.08 0.12 0.00 0.00 0.00 174.94 175.78 3g3m s PHE 121 N 0.71 2.70 -0.32 3.97 5.36 -0.33 -0.76 117.98 129.32 3g3m s PHE 121 Ca 0.02 -1.93 -0.23 0.00 -0.96 0.00 0.00 56.93 53.84 3g3m s PHE 121 Cb -0.14 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 3g3m s PHE 121 CO 0.02 -0.81 0.78 -2.00 -1.46 0.00 0.00 175.22 171.75 3g3m s GLU 122 N 1.29 3.90 -1.00 10.12 2.56 -0.28 -0.44 118.70 134.85 3g3m s GLU 122 Ca -0.06 0.50 -0.07 0.00 0.00 0.00 0.00 54.97 55.34 3g3m s GLU 122 Cb -0.19 -3.75 -0.03 0.00 2.00 0.00 0.00 34.13 32.16 3g3m s GLU 122 CO -0.06 -0.72 2.89 -3.47 -0.56 0.00 0.00 175.26 173.34 3g3m n ASP 123 N 6.25 7.43 0.16 -1.70 2.03 -0.04 -3.79 116.55 126.89 3g3m n ASP 123 Ca 0.03 -2.84 0.12 0.00 0.52 0.00 0.00 54.79 52.62 3g3m n ASP 123 Cb 0.48 -1.41 0.23 0.00 -0.72 0.00 0.00 41.12 39.70 3g3m n ASP 123 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3g3m h ARG 124 N 4.11 0.00 -6.35 -0.67 9.65 -1.83 -3.47 114.38 115.82 3g3m h ARG 124 Ca 0.60 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 59.01 3g3m h ARG 124 Cb 0.61 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.20 3g3m h ARG 124 CO 1.22 0.00 -0.89 1.63 2.80 0.00 0.00 179.97 184.72 3g3m n LYS 125 N -2.73 -2.93 -1.62 0.20 5.02 -1.10 -4.82 118.16 110.19 3g3m n LYS 125 Ca 0.04 0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 56.36 3g3m n LYS 125 Cb 0.49 -4.50 0.00 0.00 -0.02 0.00 0.00 35.03 31.01 3g3m n LYS 125 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3g3m n PHE 126 N -4.32 1.36 -2.72 2.13 3.01 -0.82 -4.50 117.46 111.60 3g3m n PHE 126 Ca -0.24 0.59 -0.08 0.00 1.01 0.00 0.00 57.45 58.73 3g3m n PHE 126 Cb 0.66 -2.26 0.09 0.00 -0.01 0.00 0.00 39.48 37.96 3g3m n PHE 126 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g3m n ALA 127 N -0.19 -0.75 -2.55 4.37 0.00 -1.26 -0.59 120.51 119.54 3g3m n ALA 127 Ca 0.09 -1.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.04 3g3m n ALA 127 Cb 0.37 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 3g3m n ALA 127 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g3m s ASP 128 N -1.13 1.38 0.71 0.00 -1.08 -1.26 -4.93 116.67 110.35 3g3m s ASP 128 Ca 0.21 -1.66 -0.14 0.00 -0.52 0.00 0.00 52.55 50.45 3g3m s ASP 128 Cb 0.30 0.61 0.03 0.00 -1.46 0.00 0.00 42.92 42.40 3g3m s ASP 128 CO -0.07 -1.17 1.13 0.27 0.52 0.00 0.00 175.17 175.85 3g3m s ILE 129 N -3.24 2.94 0.26 4.11 -4.36 -1.26 -4.51 121.20 115.13 3g3m s ILE 129 Ca 0.36 0.41 -0.02 0.00 -0.26 0.00 0.00 60.65 61.14 3g3m s ILE 129 Cb 0.01 -2.91 0.26 0.00 1.25 0.00 0.00 42.46 41.07 3g3m s ILE 129 CO 0.25 -0.29 1.68 1.23 0.24 0.00 0.00 174.94 178.05 3g3m h GLY 130 N -0.33 1.17 1.50 6.27 0.00 -1.87 -1.21 103.07 108.60 3g3m h GLY 130 Ca -0.46 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 3g3m h GLY 130 CO 0.52 -0.24 0.11 -0.57 0.00 0.00 0.00 176.54 176.36 3g3m h ASN 131 N 0.28 0.58 0.15 0.19 -1.24 -1.92 -2.59 115.58 111.03 3g3m h ASN 131 Ca 0.46 -0.08 -0.21 0.00 0.71 0.00 0.00 56.30 57.18 3g3m h ASN 131 Cb 0.84 -0.15 0.02 0.00 0.73 0.00 0.00 38.32 39.75 3g3m h ASN 131 CO -0.54 0.57 -0.96 0.74 -1.29 0.00 0.00 177.43 175.95 3g3m h THR 132 N 0.62 1.42 0.00 -3.57 2.02 -1.67 -3.34 112.91 108.39 3g3m h THR 132 Ca 0.14 -2.53 -0.02 0.00 0.77 0.00 0.00 66.41 64.77 3g3m h THR 132 Cb 0.22 3.11 -0.00 0.00 -1.74 0.00 0.00 68.15 69.74 3g3m h THR 132 CO -0.01 0.72 -0.11 -0.37 0.37 0.00 0.00 175.52 176.12 3g3m h VAL 133 N -0.32 0.69 -0.76 3.16 -1.51 -1.14 -1.48 116.25 114.88 3g3m h VAL 133 Ca -0.18 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.80 3g3m h VAL 133 Cb 1.70 1.28 -0.03 0.00 -2.13 0.00 0.00 31.29 32.11 3g3m h VAL 133 CO 0.15 0.11 0.35 0.07 -1.23 0.00 0.00 177.57 177.02 3g3m h LYS 134 N 0.00 1.11 -0.14 5.19 2.10 -1.59 -0.47 116.57 122.76 3g3m h LYS 134 Ca -0.00 -0.17 -0.16 0.00 -2.00 0.00 0.00 60.65 58.31 3g3m h LYS 134 Cb 0.28 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 3g3m h LYS 134 CO 0.01 0.87 -0.60 0.87 -2.00 0.00 0.00 179.45 178.61 3g3m h LYS 135 N 1.08 0.47 0.00 0.07 1.57 -1.55 -0.14 116.57 118.07 3g3m h LYS 135 Ca 0.26 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3g3m h LYS 135 Cb 0.14 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3g3m h LYS 135 CO -0.03 0.93 -0.16 1.96 -0.57 0.00 0.00 179.45 181.57 3g3m h GLN 136 N 0.35 0.00 0.14 3.15 4.20 -0.89 0.11 115.11 122.17 3g3m h GLN 136 Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 3g3m h GLN 136 Cb 1.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 3g3m h GLN 136 CO 0.11 0.16 -1.65 -0.92 -0.67 0.00 0.00 178.83 175.86 3g3m h TYR 137 N 0.00 0.52 0.07 2.96 3.20 -0.92 -3.40 116.97 119.40 3g3m h TYR 137 Ca -0.00 -0.38 -0.29 0.00 3.14 0.00 0.00 58.73 61.20 3g3m h TYR 137 Cb 0.63 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3g3m h TYR 137 CO 0.00 1.65 -1.49 1.49 -1.64 0.00 0.00 178.16 178.16 3g3m h GLU 138 N -0.12 0.14 0.00 1.82 4.81 -0.99 -1.08 114.58 119.16 3g3m h GLU 138 Ca -0.35 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 3g3m h GLU 138 Cb 1.91 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.38 3g3m h GLU 138 CO 0.09 0.94 0.00 0.41 -0.73 0.00 0.00 179.01 179.73 3g3m n GLY 139 N 1.59 4.51 7.00 1.92 0.00 0.39 -4.40 105.19 116.20 3g3m n GLY 139 Ca -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3g3m n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3m n GLY 140 N 5.00 -0.12 0.21 -0.02 0.00 -1.26 -2.18 105.19 106.82 3g3m n GLY 140 Ca 0.00 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.15 3g3m n GLY 140 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3g3m h ILE 141 N 0.00 0.03 0.00 -0.61 3.07 -1.97 -3.34 117.51 114.69 3g3m h ILE 141 Ca 0.00 -1.04 -0.18 0.00 1.55 0.00 0.00 64.86 65.19 3g3m h ILE 141 Cb 0.00 1.95 -0.03 0.00 -0.27 0.00 0.00 36.82 38.48 3g3m h ILE 141 CO 0.00 0.02 -1.11 -0.26 -1.05 0.00 0.00 178.15 175.74 3g3m h PHE 142 N 0.00 0.00 -6.85 0.16 0.04 -1.95 -3.46 116.94 104.88 3g3m h PHE 142 Ca -0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3g3m h PHE 142 Cb 1.01 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.04 3g3m h PHE 142 CO 0.00 0.73 -0.95 1.63 -0.60 0.00 0.00 178.31 179.12 3g3m n LYS 143 N -3.12 -1.60 -0.26 1.51 5.02 -0.93 -4.81 118.16 113.97 3g3m n LYS 143 Ca -0.05 0.20 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 3g3m n LYS 143 Cb 0.87 -3.78 0.20 0.00 -0.02 0.00 0.00 35.03 32.31 3g3m n LYS 143 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3g3m h ILE 144 N -1.91 0.58 0.00 -0.18 2.04 -1.76 -0.43 117.51 115.86 3g3m h ILE 144 Ca -0.66 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3g3m h ILE 144 Cb 1.39 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3g3m h ILE 144 CO 0.65 0.07 -0.02 0.00 0.00 0.00 0.00 178.15 178.85 3g3m h ALA 145 N 1.60 1.04 -0.07 1.87 0.00 -1.48 -0.62 119.26 121.60 3g3m h ALA 145 Ca 0.44 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 3g3m h ALA 145 Cb 0.72 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3g3m h ALA 145 CO -0.46 0.03 -0.35 0.77 0.00 0.00 0.00 179.25 179.24 3g3m h SER 146 N 0.00 0.14 0.00 0.00 0.02 -1.35 -3.37 113.55 108.99 3g3m h SER 146 Ca -0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3g3m h SER 146 Cb 0.31 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3g3m h SER 146 CO 0.00 0.48 -0.44 -2.67 -1.14 0.00 0.00 176.83 173.07 3g3m n TRP 147 N -4.09 0.00 -3.29 3.45 4.27 -0.73 -5.02 117.44 112.03 3g3m n TRP 147 Ca -0.01 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.20 3g3m n TRP 147 Cb 0.41 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.29 3g3m n TRP 147 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3g3m s ALA 148 N -1.28 3.57 0.17 -1.67 0.00 -0.32 -4.83 121.76 117.40 3g3m s ALA 148 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 3g3m s ALA 148 Cb 0.00 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.37 3g3m s ALA 148 CO 0.00 -0.58 1.63 -0.44 0.00 0.00 0.00 175.76 176.38 3g3m h ASP 149 N 7.78 0.99 -4.25 0.00 3.32 -1.29 -3.45 116.42 119.52 3g3m h ASP 149 Ca -0.32 -0.30 -0.55 0.00 0.02 0.00 0.00 57.03 55.89 3g3m h ASP 149 Cb 1.15 -0.26 -0.24 0.00 0.22 0.00 0.00 39.33 40.20 3g3m h ASP 149 CO 0.71 1.04 -0.83 -0.76 -1.72 0.00 0.00 179.24 177.69 3g3m s LEU 150 N -9.37 2.23 0.32 1.55 1.43 -0.79 -1.60 118.68 112.45 3g3m s LEU 150 Ca -0.12 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3g3m s LEU 150 Cb 0.13 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 3g3m s LEU 150 CO 0.84 0.09 0.11 0.68 0.23 0.00 0.00 176.35 178.30 3g3m s VAL 151 N -1.00 0.68 0.14 -1.59 -7.23 -1.02 -1.13 120.40 109.25 3g3m s VAL 151 Ca 0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 3g3m s VAL 151 Cb -0.09 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3g3m s VAL 151 CO 0.03 0.00 -0.09 0.54 -0.31 0.00 0.00 175.10 175.27 3g3m s ASN 152 N -3.44 1.66 -0.02 4.85 4.22 -1.25 -0.57 114.94 120.39 3g3m s ASN 152 Ca 0.34 -1.02 -0.03 0.00 -2.14 0.00 0.00 52.86 50.00 3g3m s ASN 152 Cb 0.06 0.01 0.00 0.00 1.28 0.00 0.00 41.25 42.61 3g3m s ASN 152 CO 0.15 -0.37 0.07 0.00 -2.04 0.00 0.00 177.10 174.91 3g3m s ALA 153 N -3.40 -0.17 0.46 3.54 0.00 -0.24 -1.94 121.76 120.02 3g3m s ALA 153 Ca 0.16 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 3g3m s ALA 153 Cb 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 3g3m s ALA 153 CO -0.00 -0.09 0.99 -1.01 0.00 0.00 0.00 175.76 175.65 3g3m s HIS 154 N -0.48 3.17 -1.02 0.00 3.76 0.24 -0.96 115.29 119.99 3g3m s HIS 154 Ca -0.06 1.59 0.24 0.00 -0.15 0.00 0.00 55.06 56.68 3g3m s HIS 154 Cb -0.04 -2.95 0.28 0.00 1.11 0.00 0.00 32.58 30.99 3g3m s HIS 154 CO 0.00 -0.48 1.26 1.33 -0.85 0.00 0.00 174.74 176.00 3g3m n VAL 155 N -0.88 0.00 -0.32 -0.90 0.24 -1.26 -4.46 118.33 110.75 3g3m n VAL 155 Ca 0.08 -0.00 0.25 0.00 -2.04 0.00 0.00 64.34 62.63 3g3m n VAL 155 Cb 0.53 0.49 0.55 0.00 -1.47 0.00 0.00 33.84 33.95 3g3m n VAL 155 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3g3m h VAL 156 N 0.04 0.50 0.00 3.34 3.04 -1.94 -0.52 116.25 120.70 3g3m h VAL 156 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 3g3m h VAL 156 Cb 0.50 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 3g3m h VAL 156 CO 0.00 0.06 0.00 -2.65 -1.01 0.00 0.00 177.57 173.97 3g3m n PRO 157 N -4.55 0.18 0.00 4.17 -0.02 -1.26 -5.02 135.00 128.50 3g3m n PRO 157 Ca 0.25 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3g3m n PRO 157 Cb 0.95 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 3g3m n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3m n GLY 158 N 0.52 -0.45 0.07 -1.23 0.00 -0.21 -4.65 105.19 99.25 3g3m n GLY 158 Ca 0.08 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.42 3g3m n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g3m n SER 159 N -0.93 0.37 0.10 1.61 3.41 -1.26 -1.95 113.62 114.97 3g3m n SER 159 Ca 0.00 0.59 0.17 0.00 -0.26 0.00 0.00 58.87 59.37 3g3m n SER 159 Cb 0.00 -0.67 0.71 0.00 -0.26 0.00 0.00 64.21 63.99 3g3m n SER 159 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3g3m h GLY 160 N 2.23 0.00 1.09 5.00 0.00 -1.97 -0.94 103.07 108.48 3g3m h GLY 160 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3g3m h GLY 160 CO 0.00 0.00 0.38 -0.24 0.00 0.00 0.00 176.54 176.68 3g3m h VAL 161 N 0.00 1.25 -0.19 4.60 3.04 -1.62 -0.32 116.25 123.02 3g3m h VAL 161 Ca 0.16 -0.73 -0.16 0.00 -1.01 0.00 0.00 66.70 64.97 3g3m h VAL 161 Cb 0.70 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 3g3m h VAL 161 CO -0.00 0.31 -0.49 0.58 -1.01 0.00 0.00 177.57 176.96 3g3m h VAL 162 N 1.16 1.32 -0.63 1.51 2.07 -1.43 -2.58 116.25 117.67 3g3m h VAL 162 Ca 0.28 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3g3m h VAL 162 Cb 0.13 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3g3m h VAL 162 CO -0.03 0.54 0.41 0.11 0.02 0.00 0.00 177.57 178.61 3g3m h LYS 163 N 0.34 0.84 -0.26 1.57 1.57 -1.08 0.64 116.57 120.20 3g3m h LYS 163 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3g3m h LYS 163 Cb 1.11 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 3g3m h LYS 163 CO 0.11 0.57 0.12 0.78 -0.57 0.00 0.00 179.45 180.46 3g3m h GLY 164 N 0.86 0.40 1.18 3.86 0.00 -1.07 -2.38 103.07 105.93 3g3m h GLY 164 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3g3m h GLY 164 CO -0.05 0.19 0.21 1.41 0.00 0.00 0.00 176.54 178.30 3g3m h LEU 165 N 0.28 0.96 -1.41 3.11 3.38 -1.17 -2.96 115.31 117.49 3g3m h LEU 165 Ca 0.09 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3g3m h LEU 165 Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3g3m h LEU 165 CO -0.01 0.89 -0.23 0.06 0.09 0.00 0.00 178.44 179.24 3g3m h GLN 166 N 0.99 0.00 0.00 1.13 3.07 -0.65 0.20 115.11 119.85 3g3m h GLN 166 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 3g3m h GLN 166 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 3g3m h GLN 166 CO -0.01 0.23 0.00 0.93 0.09 0.00 0.00 178.83 180.07 3g3m h GLU 167 N 0.00 0.00 0.00 0.06 5.08 -1.25 0.17 114.58 118.64 3g3m h GLU 167 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 3g3m h GLU 167 Cb 0.60 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 3g3m h GLU 167 CO 0.03 0.00 -2.40 0.28 -1.00 0.00 0.00 179.01 175.92 3g3m n VAL 168 N -2.31 1.40 -0.07 3.13 0.31 -0.83 -4.75 118.33 115.21 3g3m n VAL 168 Ca 0.02 -0.48 -0.14 0.00 -0.01 0.00 0.00 64.34 63.72 3g3m n VAL 168 Cb 0.21 -1.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.59 3g3m n VAL 168 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3g3m h GLY 169 N 1.07 0.78 0.89 2.92 0.00 -0.37 -3.18 103.07 105.19 3g3m h GLY 169 Ca -0.57 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 45.86 3g3m h GLY 169 CO -0.17 0.81 -0.06 1.41 0.00 0.00 0.00 176.54 178.53 3g3m h LEU 170 N 0.43 -0.15 -2.16 3.11 3.38 -1.20 -0.44 115.31 118.28 3g3m h LEU 170 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3g3m h LEU 170 Cb 1.03 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3g3m h LEU 170 CO 0.10 -0.09 -0.04 -0.65 0.09 0.00 0.00 178.44 177.86 3g3m h PRO 171 N -0.11 0.00 -0.48 1.13 0.11 -1.77 -1.03 132.00 129.85 3g3m h PRO 171 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3g3m h PRO 171 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3g3m h PRO 171 CO -0.04 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 3g3m n LEU 172 N -4.10 2.48 -4.09 2.35 4.77 -0.96 -4.93 117.00 112.51 3g3m n LEU 172 Ca -0.03 -1.24 -0.27 0.00 -0.03 0.00 0.00 56.01 54.43 3g3m n LEU 172 Cb 0.12 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3g3m n LEU 172 CO 0.31 0.55 -0.33 1.57 -1.33 0.00 0.00 177.39 178.16 3g3m n HIS 173 N 0.68 -1.50 -2.98 -1.77 -0.00 -0.39 -4.99 115.22 104.26 3g3m n HIS 173 Ca 0.14 0.70 -0.18 0.00 -0.00 0.00 0.00 57.72 58.38 3g3m n HIS 173 Cb 0.42 -3.39 0.03 0.00 -0.00 0.00 0.00 29.99 27.05 3g3m n HIS 173 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3g3m s ARG 174 N -6.86 2.63 0.27 1.57 1.81 -0.24 -4.87 118.95 113.26 3g3m s ARG 174 Ca 0.01 -1.32 0.04 0.00 -1.72 0.00 0.00 55.73 52.73 3g3m s ARG 174 Cb -0.00 -2.70 -0.06 0.00 -0.45 0.00 0.00 34.95 31.74 3g3m s ARG 174 CO 0.93 -0.50 0.01 0.20 -0.68 0.00 0.00 175.30 175.26 3g3m s GLY 175 N -4.46 1.77 0.02 -3.53 0.00 -0.63 -4.68 107.32 95.83 3g3m s GLY 175 Ca 0.57 -1.89 0.02 0.00 0.00 0.00 0.00 44.72 43.42 3g3m s GLY 175 CO 0.35 -1.74 -0.06 0.00 0.00 0.00 0.00 173.10 171.65 3g3m s LEU 177 N -0.94 3.40 -0.12 0.00 1.43 0.27 -0.72 118.68 122.01 3g3m s LEU 177 Ca -0.05 0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3g3m s LEU 177 Cb -0.06 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3g3m s LEU 177 CO 0.00 0.33 0.17 -0.76 0.23 0.00 0.00 176.35 176.32 3g3m s LEU 178 N -1.14 4.37 -0.79 1.79 1.43 -0.39 -1.08 118.68 122.87 3g3m s LEU 178 Ca 0.15 0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 53.53 3g3m s LEU 178 Cb -0.11 -2.14 0.08 0.00 0.03 0.00 0.00 46.19 44.05 3g3m s LEU 178 CO 0.05 0.37 1.13 -0.63 0.23 0.00 0.00 176.35 177.50 3g3m s ILE 179 N -0.83 4.26 -0.06 -0.59 1.01 -0.14 -1.06 121.20 123.79 3g3m s ILE 179 Ca 0.15 -0.59 0.13 0.00 0.00 0.00 0.00 60.65 60.34 3g3m s ILE 179 Cb -0.12 -4.80 -0.13 0.00 0.01 0.00 0.00 42.46 37.41 3g3m s ILE 179 CO 0.04 -1.61 1.02 0.00 0.00 0.00 0.00 174.94 174.39 3g3m h ALA 180 N 9.50 0.63 -2.61 9.38 0.00 -1.44 -3.40 119.26 131.32 3g3m h ALA 180 Ca -0.10 -0.91 -0.12 0.00 0.00 0.00 0.00 54.91 53.77 3g3m h ALA 180 Cb 1.05 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 3g3m h ALA 180 CO 1.22 1.07 -0.42 -1.21 0.00 0.00 0.00 179.25 179.91 3g3m s GLU 181 N -2.82 0.63 0.25 0.00 2.02 -1.10 -4.17 118.70 113.51 3g3m s GLU 181 Ca -0.01 -0.55 0.11 0.00 0.02 0.00 0.00 54.97 54.54 3g3m s GLU 181 Cb 0.09 0.26 -0.05 0.00 0.10 0.00 0.00 34.13 34.53 3g3m s GLU 181 CO 0.80 -0.17 -0.16 -1.64 0.02 0.00 0.00 175.26 174.10 3g3m s MET 182 N -2.19 1.79 0.06 1.61 -1.94 -1.26 -4.13 119.30 113.24 3g3m s MET 182 Ca -0.08 -1.60 0.27 0.00 -1.71 0.00 0.00 55.69 52.56 3g3m s MET 182 Cb -0.03 -1.89 0.83 0.00 2.01 0.00 0.00 34.83 35.74 3g3m s MET 182 CO -0.02 0.36 1.67 -1.13 -0.01 0.00 0.00 175.02 175.90 3g3m n SER 183 N -0.40 0.41 -4.89 3.03 3.41 -1.26 -4.88 113.62 109.04 3g3m n SER 183 Ca -0.08 0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 3g3m n SER 183 Cb 0.58 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3g3m n SER 183 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3g3m s SER 184 N -3.52 6.48 0.19 4.04 1.04 -1.26 -3.29 113.70 117.38 3g3m s SER 184 Ca 0.11 1.01 -0.31 0.00 0.48 0.00 0.00 55.95 57.23 3g3m s SER 184 Cb 0.16 -2.27 -0.10 0.00 0.10 0.00 0.00 66.02 63.91 3g3m s SER 184 CO 0.62 -0.36 1.57 -0.89 0.98 0.00 0.00 173.24 175.16 3g3m s THR 185 N -2.32 2.53 0.00 2.02 2.01 0.66 -2.10 115.64 118.44 3g3m s THR 185 Ca 0.49 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.88 3g3m s THR 185 Cb -0.10 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3g3m s THR 185 CO 0.32 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 3g3m n GLY 186 N 3.52 0.69 3.53 4.40 0.00 -1.26 -4.99 105.19 111.07 3g3m n GLY 186 Ca 0.13 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.63 3g3m n GLY 186 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3g3m n SER 187 N 0.00 0.57 -0.78 1.61 2.88 -0.89 -4.87 113.62 112.14 3g3m n SER 187 Ca 0.00 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 3g3m n SER 187 Cb 0.00 -1.09 0.30 0.00 -0.75 0.00 0.00 64.21 62.67 3g3m n SER 187 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3g3m n LEU 188 N 1.92 2.39 -4.02 2.46 4.77 -1.26 -4.68 117.00 118.58 3g3m n LEU 188 Ca 0.17 -0.87 -0.43 0.00 -0.03 0.00 0.00 56.01 54.85 3g3m n LEU 188 Cb 0.19 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3g3m n LEU 188 CO 0.60 0.44 2.01 0.00 -1.33 0.00 0.00 177.39 179.10 3g3m n ALA 189 N 0.84 4.94 -2.16 -1.18 0.00 -1.26 -4.83 120.51 116.86 3g3m n ALA 189 Ca 0.17 -4.17 -0.10 0.00 0.00 0.00 0.00 53.44 49.34 3g3m n ALA 189 Cb 0.48 -3.17 -0.10 0.00 0.00 0.00 0.00 19.45 16.66 3g3m n ALA 189 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3g3m s THR 190 N 1.58 0.17 0.00 0.00 -4.23 -1.26 -4.32 115.64 107.57 3g3m s THR 190 Ca 0.43 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3g3m s THR 190 Cb 0.08 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.86 3g3m s THR 190 CO -0.01 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 3g3m n GLY 191 N -0.11 3.52 0.26 3.99 0.00 -1.26 -1.67 105.19 109.92 3g3m n GLY 191 Ca -0.05 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3g3m n GLY 191 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g3m h ASP 192 N 0.00 0.00 -0.10 1.61 3.32 -1.99 -1.90 116.42 117.36 3g3m h ASP 192 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3g3m h ASP 192 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g3m h ASP 192 CO 0.00 0.11 -0.02 0.22 -1.72 0.00 0.00 179.24 177.83 3g3m h TYR 193 N 0.00 0.22 -0.63 4.55 3.20 -1.64 -0.43 116.97 122.25 3g3m h TYR 193 Ca -0.00 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.86 3g3m h TYR 193 Cb 0.30 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 3g3m h TYR 193 CO 0.00 0.49 0.37 1.15 -1.64 0.00 0.00 178.16 178.53 3g3m h THR 194 N -0.12 1.03 -0.41 1.81 2.02 -1.32 -1.92 112.91 114.00 3g3m h THR 194 Ca 0.03 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3g3m h THR 194 Cb 0.42 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3g3m h THR 194 CO 0.01 0.13 0.14 0.03 0.37 0.00 0.00 175.52 176.20 3g3m h ARG 195 N 0.70 0.59 -0.45 6.66 3.08 -1.27 -2.18 114.38 121.52 3g3m h ARG 195 Ca 0.26 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 3g3m h ARG 195 Cb 0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3g3m h ARG 195 CO -0.14 0.51 -0.09 0.00 -1.07 0.00 0.00 179.97 179.19 3g3m h ALA 196 N 1.57 1.01 -0.61 0.04 0.00 -0.49 -1.69 119.26 119.09 3g3m h ALA 196 Ca 0.14 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3g3m h ALA 196 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3g3m h ALA 196 CO -0.01 0.60 0.17 0.00 0.00 0.00 0.00 179.25 180.01 3g3m h ALA 197 N 1.18 0.80 -0.12 0.00 0.00 -0.78 -0.47 119.26 119.87 3g3m h ALA 197 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3g3m h ALA 197 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3g3m h ALA 197 CO 0.03 0.49 0.06 0.28 0.00 0.00 0.00 179.25 180.11 3g3m h VAL 198 N 0.88 1.11 -0.52 0.00 2.07 -1.20 -0.91 116.25 117.68 3g3m h VAL 198 Ca 0.19 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3g3m h VAL 198 Cb 0.32 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3g3m h VAL 198 CO -0.00 0.10 0.32 -0.09 0.02 0.00 0.00 177.57 177.91 3g3m h ARG 199 N 0.07 0.61 -0.49 1.57 2.43 -1.20 -1.00 114.38 116.38 3g3m h ARG 199 Ca 0.04 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3g3m h ARG 199 Cb 0.11 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3g3m h ARG 199 CO -0.01 0.40 0.23 0.52 -1.51 0.00 0.00 179.97 179.61 3g3m h MET 200 N 0.63 0.43 -0.38 0.20 2.86 -0.91 -1.56 114.93 116.20 3g3m h MET 200 Ca 0.21 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3g3m h MET 200 Cb 0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3g3m h MET 200 CO -0.09 0.29 0.22 0.00 1.06 0.00 0.00 176.91 178.38 3g3m h ALA 201 N 1.28 0.48 0.00 6.32 0.00 -0.73 -2.41 119.26 124.20 3g3m h ALA 201 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3g3m h ALA 201 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3g3m h ALA 201 CO -0.17 -0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.34 3g3m n GLU 202 N -4.89 0.15 0.00 0.00 1.02 -0.42 -1.64 120.64 114.87 3g3m n GLU 202 Ca 0.01 0.23 0.11 0.00 -0.02 0.00 0.00 57.16 57.49 3g3m n GLU 202 Cb 0.07 -1.71 0.12 0.00 -0.02 0.00 0.00 31.44 29.90 3g3m n GLU 202 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3g3m n GLU 203 N -1.98 0.13 -2.45 3.49 1.02 -0.62 -4.35 120.64 115.88 3g3m n GLU 203 Ca 0.05 -0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 56.95 3g3m n GLU 203 Cb 0.32 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3g3m n GLU 203 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g3m n HIS 204 N -1.36 2.16 0.33 -0.32 8.25 -0.65 -4.89 115.22 118.74 3g3m n HIS 204 Ca 0.06 -2.44 0.11 0.00 -0.26 0.00 0.00 57.72 55.18 3g3m n HIS 204 Cb 0.34 -0.27 0.47 0.00 1.12 0.00 0.00 29.99 31.66 3g3m n HIS 204 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3g3m n SER 205 N -0.54 0.54 0.28 0.41 3.41 -1.03 -0.88 113.62 115.82 3g3m n SER 205 Ca 0.26 0.66 0.16 0.00 -0.26 0.00 0.00 58.87 59.70 3g3m n SER 205 Cb 0.84 -0.77 0.80 0.00 -0.26 0.00 0.00 64.21 64.82 3g3m n SER 205 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3g3m h GLU 206 N 0.00 0.00 0.00 4.33 9.09 -1.90 -3.37 114.58 122.73 3g3m h GLU 206 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3g3m h GLU 206 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3g3m h GLU 206 CO 0.00 0.06 -0.67 0.34 0.05 0.00 0.00 179.01 178.79 3g3m n PHE 207 N -3.28 0.00 -2.77 2.06 7.35 -0.70 -4.99 117.46 115.13 3g3m n PHE 207 Ca -0.01 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.26 3g3m n PHE 207 Cb 0.24 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.04 3g3m n PHE 207 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3g3m s VAL 208 N -1.67 4.76 -1.72 -2.13 1.01 -0.06 -1.22 120.40 119.37 3g3m s VAL 208 Ca 0.00 1.81 0.14 0.00 0.00 0.00 0.00 61.98 63.93 3g3m s VAL 208 Cb 0.00 -4.22 0.10 0.00 0.00 0.00 0.00 36.38 32.27 3g3m s VAL 208 CO 0.00 -0.12 0.93 1.33 0.00 0.00 0.00 175.10 177.24 3g3m n VAL 209 N 5.26 0.00 -3.93 2.92 0.24 0.11 -4.51 118.33 118.41 3g3m n VAL 209 Ca 0.09 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3g3m n VAL 209 Cb 0.47 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 3g3m n VAL 209 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g3m n GLY 210 N 0.80 -0.74 3.19 7.63 0.00 -1.24 -1.30 105.19 113.53 3g3m n GLY 210 Ca 0.08 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 3g3m n GLY 210 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g3m s PHE 211 N -3.00 1.24 -0.23 1.61 0.40 0.38 -1.27 117.98 117.12 3g3m s PHE 211 Ca 0.00 -0.52 -0.17 0.00 -0.60 0.00 0.00 56.93 55.65 3g3m s PHE 211 Cb 0.00 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 3g3m s PHE 211 CO 0.00 0.07 0.44 0.42 0.70 0.00 0.00 175.22 176.85 3g3m s ILE 212 N -1.71 5.15 0.24 0.64 -1.09 -0.22 -1.13 121.20 123.08 3g3m s ILE 212 Ca 0.02 0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 58.99 3g3m s ILE 212 Cb -0.07 -3.76 0.03 0.00 -1.58 0.00 0.00 42.46 37.08 3g3m s ILE 212 CO 0.02 0.18 0.67 -0.94 -1.23 0.00 0.00 174.94 173.64 3g3m s SER 213 N 1.31 -0.34 0.00 3.58 1.04 -0.59 -1.07 113.70 117.63 3g3m s SER 213 Ca 0.19 -0.45 0.26 0.00 0.48 0.00 0.00 55.95 56.44 3g3m s SER 213 Cb -0.15 0.68 0.78 0.00 0.10 0.00 0.00 66.02 67.43 3g3m s SER 213 CO 0.09 -1.22 1.59 0.61 0.98 0.00 0.00 173.24 175.28 3g3m n GLY 214 N -0.43 -0.94 3.83 7.32 0.00 -1.26 -3.87 105.19 109.83 3g3m n GLY 214 Ca -0.08 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 3g3m n GLY 214 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3m s SER 215 N -2.70 -0.00 -0.01 1.61 1.04 -1.26 -4.86 113.70 107.52 3g3m s SER 215 Ca 0.20 -1.00 -0.30 0.00 0.48 0.00 0.00 55.95 55.33 3g3m s SER 215 Cb 0.19 0.74 -0.06 0.00 0.10 0.00 0.00 66.02 66.99 3g3m s SER 215 CO 0.58 -1.48 1.54 -0.60 0.98 0.00 0.00 173.24 174.26 3g3m s ARG 216 N -2.29 4.22 -0.01 4.02 3.52 -0.01 -4.77 118.95 123.64 3g3m s ARG 216 Ca 0.17 2.11 0.05 0.00 -0.13 0.00 0.00 55.73 57.93 3g3m s ARG 216 Cb -0.04 -3.73 -0.07 0.00 -1.56 0.00 0.00 34.95 29.55 3g3m s ARG 216 CO 0.09 -0.71 0.10 1.33 -0.81 0.00 0.00 175.30 175.30 3g3m n VAL 217 N 4.99 0.02 -4.96 7.11 0.24 -1.26 -5.01 118.33 119.46 3g3m n VAL 217 Ca 0.15 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.34 62.02 3g3m n VAL 217 Cb 0.43 0.30 -0.14 0.00 -1.47 0.00 0.00 33.84 32.96 3g3m n VAL 217 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g3m s SER 218 N -2.63 3.75 -0.03 -1.34 0.15 -1.26 -4.99 113.70 107.35 3g3m s SER 218 Ca -0.02 -0.30 0.16 0.00 0.70 0.00 0.00 55.95 56.49 3g3m s SER 218 Cb 0.03 -0.68 0.51 0.00 -1.71 0.00 0.00 66.02 64.17 3g3m s SER 218 CO 0.20 0.33 1.41 0.23 1.20 0.00 0.00 173.24 176.61 3g3m n MET 219 N 2.22 2.55 -3.20 5.44 0.00 -1.26 -4.83 117.12 118.04 3g3m n MET 219 Ca -0.17 -2.06 -0.41 0.00 0.00 0.00 0.00 57.70 55.07 3g3m n MET 219 Cb 0.52 -1.54 -0.07 0.00 0.00 0.00 0.00 33.22 32.13 3g3m n MET 219 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3g3m s LYS 220 N -1.43 3.93 0.00 0.03 1.02 -1.26 -4.97 119.74 117.06 3g3m s LYS 220 Ca 0.38 0.22 0.16 0.00 0.02 0.00 0.00 55.97 56.74 3g3m s LYS 220 Cb 0.21 -3.71 0.69 0.00 -0.52 0.00 0.00 37.83 34.50 3g3m s LYS 220 CO 0.23 -0.48 1.50 -0.35 -0.92 0.00 0.00 175.35 175.33 3g3m n PRO 221 N 5.69 0.02 0.00 -1.68 -0.04 -1.26 -2.22 135.00 135.51 3g3m n PRO 221 Ca -0.03 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 3g3m n PRO 221 Cb 0.49 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 33.12 3g3m n PRO 221 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3g3m n GLU 222 N -1.48 0.35 -3.58 0.54 0.00 -1.26 -4.74 120.64 110.48 3g3m n GLU 222 Ca 0.04 0.04 -0.37 0.00 0.00 0.00 0.00 57.16 56.87 3g3m n GLU 222 Cb 0.18 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.05 3g3m n GLU 222 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3g3m s PHE 223 N -2.60 3.56 0.27 -1.84 0.08 -0.94 -4.72 117.98 111.79 3g3m s PHE 223 Ca 0.24 0.70 -0.21 0.00 0.12 0.00 0.00 56.93 57.79 3g3m s PHE 223 Cb 0.18 -2.27 -0.09 0.00 -0.57 0.00 0.00 43.02 40.27 3g3m s PHE 223 CO 0.41 0.43 0.79 -0.51 -0.10 0.00 0.00 175.22 176.24 3g3m s LEU 224 N -0.20 4.28 -0.20 -0.37 1.43 -0.42 -4.94 118.68 118.26 3g3m s LEU 224 Ca 0.19 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 3g3m s LEU 224 Cb -0.14 -3.81 0.02 0.00 0.03 0.00 0.00 46.19 42.29 3g3m s LEU 224 CO 0.07 -0.05 -0.15 -1.00 0.23 0.00 0.00 176.35 175.45 3g3m s HIS 225 N -1.65 2.90 -0.09 0.29 3.76 -1.26 -0.47 115.29 118.77 3g3m s HIS 225 Ca 0.47 -1.64 0.02 0.00 -0.15 0.00 0.00 55.06 53.76 3g3m s HIS 225 Cb -0.16 -1.96 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 3g3m s HIS 225 CO 0.21 -0.78 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.65 3g3m s LEU 226 N 1.29 2.61 -0.23 0.89 1.02 -0.28 -1.42 118.68 122.56 3g3m s LEU 226 Ca 0.03 -0.32 0.01 0.00 0.02 0.00 0.00 54.13 53.86 3g3m s LEU 226 Cb -0.15 -1.55 0.06 0.00 0.02 0.00 0.00 46.19 44.57 3g3m s LEU 226 CO -0.10 0.23 -0.07 -0.89 0.02 0.00 0.00 176.35 175.54 3g3m s THR 227 N -0.04 1.62 0.78 5.49 2.01 0.06 -1.54 115.64 124.01 3g3m s THR 227 Ca -0.04 -1.20 -0.08 0.00 0.31 0.00 0.00 61.69 60.69 3g3m s THR 227 Cb -0.14 -1.82 0.12 0.00 0.01 0.00 0.00 72.50 70.67 3g3m s THR 227 CO 0.04 -0.02 1.10 -2.16 -0.69 0.00 0.00 174.62 172.89 3g3m s PRO 228 N 1.37 1.62 -0.03 4.92 0.04 -1.26 -0.71 135.00 140.95 3g3m s PRO 228 Ca -0.05 -0.53 -0.00 0.00 0.04 0.00 0.00 61.00 60.46 3g3m s PRO 228 Cb -0.18 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3g3m s PRO 228 CO -0.07 -1.62 0.02 0.41 0.04 0.00 0.00 177.00 175.78 3g3m n GLY 229 N -3.13 0.45 3.05 0.56 0.00 -1.26 -4.78 105.19 100.08 3g3m n GLY 229 Ca 0.12 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3g3m n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3m s VAL 230 N -3.01 1.34 0.09 1.61 1.01 -1.26 -1.10 120.40 119.09 3g3m s VAL 230 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 3g3m s VAL 230 Cb -0.00 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3g3m s VAL 230 CO 0.02 0.40 0.27 0.00 0.00 0.00 0.00 175.10 175.79 3g3m s GLN 231 N 0.73 0.90 0.18 2.72 -2.07 -0.78 -4.72 119.66 116.62 3g3m s GLN 231 Ca -0.13 -0.79 -0.08 0.00 -1.82 0.00 0.00 55.36 52.54 3g3m s GLN 231 Cb -0.16 0.38 0.08 0.00 -1.09 0.00 0.00 33.01 32.23 3g3m s GLN 231 CO 0.03 -0.31 1.58 -0.07 -1.32 0.00 0.00 175.29 175.20 3g3m h LEU 232 N 2.73 0.93-10.03 2.60 3.38 -1.97 -3.28 115.31 109.68 3g3m h LEU 232 Ca -0.34 -0.34 -0.53 0.00 0.09 0.00 0.00 57.88 56.76 3g3m h LEU 232 Cb 1.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3g3m h LEU 232 CO 0.51 1.11 -0.14 -1.61 0.09 0.00 0.00 178.44 178.40 3g3m s GLU 233 N -4.65 3.72 0.56 1.13 0.41 -1.26 -4.77 118.70 113.84 3g3m s GLU 233 Ca -0.10 0.14 -0.21 0.00 -0.41 0.00 0.00 54.97 54.39 3g3m s GLU 233 Cb 0.13 -2.66 -0.05 0.00 -1.78 0.00 0.00 34.13 29.77 3g3m s GLU 233 CO 0.86 0.28 1.31 0.00 -0.49 0.00 0.00 175.26 177.22 3g3m n ALA 234 N -0.45 1.37 0.00 5.21 0.00 -1.26 -4.85 120.51 120.53 3g3m n ALA 234 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3g3m n ALA 234 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3g3m n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3m n GLY 235 N 0.83 0.01 0.00 0.00 0.00 -1.26 -5.06 105.19 99.72 3g3m n GLY 235 Ca 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3g3m n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3m n GLY 236 N 0.00 1.94 1.00 -0.02 0.00 -1.26 -1.75 105.19 105.10 3g3m n GLY 236 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 3g3m n GLY 236 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g3m n ASP 237 N -0.23 2.38 -1.22 1.61 5.68 -0.84 -4.97 116.55 118.96 3g3m n ASP 237 Ca 0.00 -1.61 0.06 0.00 -0.50 0.00 0.00 54.79 52.74 3g3m n ASP 237 Cb 0.00 0.10 0.25 0.00 -1.14 0.00 0.00 41.12 40.33 3g3m n ASP 237 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3g3m n ASN 238 N -1.09 3.56 -2.24 -1.12 3.02 -1.26 -3.95 115.26 112.18 3g3m n ASN 238 Ca -0.06 -2.37 0.02 0.00 -0.03 0.00 0.00 54.58 52.14 3g3m n ASN 238 Cb 0.18 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 38.88 3g3m n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3g3m n LEU 239 N 0.63 1.26 0.00 3.41 4.77 -1.26 -5.02 117.00 120.80 3g3m n LEU 239 Ca 0.18 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.59 3g3m n LEU 239 Cb 0.70 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 3g3m n LEU 239 CO 0.18 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3g3m n GLY 240 N -0.13 0.71 3.76 -0.72 0.00 -1.25 -4.95 105.19 102.61 3g3m n GLY 240 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3g3m n GLY 240 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3g3m s GLN 241 N -0.61 4.49 -0.01 1.61 2.00 -1.26 -0.25 119.66 125.63 3g3m s GLN 241 Ca 0.00 1.76 0.06 0.00 -2.00 0.00 0.00 55.36 55.19 3g3m s GLN 241 Cb 0.00 -3.01 -0.02 0.00 0.80 0.00 0.00 33.01 30.78 3g3m s GLN 241 CO 0.00 0.09 -0.20 -0.65 -0.50 0.00 0.00 175.29 174.02 3g3m s GLN 242 N -1.74 1.59 -0.02 1.67 -0.21 -1.21 -1.99 119.66 117.77 3g3m s GLN 242 Ca 0.48 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 55.13 3g3m s GLN 242 Cb -0.30 -1.57 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 3g3m s GLN 242 CO 0.39 0.43 -0.09 0.71 -2.12 0.00 0.00 175.29 174.60 3g3m s TYR 243 N -0.53 2.83 0.14 0.91 1.51 -0.72 -4.58 117.35 116.92 3g3m s TYR 243 Ca 0.08 -0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.11 3g3m s TYR 243 Cb -0.08 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 3g3m s TYR 243 CO -0.00 0.32 -0.11 -0.80 -1.11 0.00 0.00 175.55 173.85 3g3m s ASN 244 N -1.18 1.81 0.55 2.29 0.01 -0.25 -4.50 114.94 113.67 3g3m s ASN 244 Ca 0.15 -0.98 -0.09 0.00 -0.71 0.00 0.00 52.86 51.22 3g3m s ASN 244 Cb -0.11 -0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.49 3g3m s ASN 244 CO 0.05 -0.30 0.93 -0.94 -1.51 0.00 0.00 177.10 175.32 3g3m s SER 245 N -3.06 6.29 0.27 -1.22 1.04 -1.24 -1.87 113.70 113.92 3g3m s SER 245 Ca 0.15 1.25 -0.01 0.00 0.48 0.00 0.00 55.95 57.82 3g3m s SER 245 Cb 0.01 -2.39 0.48 0.00 0.10 0.00 0.00 66.02 64.23 3g3m s SER 245 CO 0.01 -0.72 1.84 -0.65 0.98 0.00 0.00 173.24 174.70 3g3m h PRO 246 N 0.07 0.97 -0.73 4.02 0.11 -1.92 -0.48 132.00 134.03 3g3m h PRO 246 Ca -0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3g3m h PRO 246 Cb 1.19 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 3g3m h PRO 246 CO 0.62 0.64 0.33 0.37 -0.21 0.00 0.00 178.00 179.75 3g3m h GLN 247 N 0.99 1.07 -0.21 1.05 4.15 -1.94 -0.01 115.11 120.22 3g3m h GLN 247 Ca 0.46 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 3g3m h GLN 247 Cb 0.38 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3g3m h GLN 247 CO -0.24 0.85 0.07 1.49 -1.93 0.00 0.00 178.83 179.08 3g3m h GLU 248 N 1.03 0.31 -0.11 1.69 4.57 -1.76 0.28 114.58 120.60 3g3m h GLU 248 Ca 0.25 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 3g3m h GLU 248 Cb 0.15 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3g3m h GLU 248 CO -0.03 0.39 -0.38 0.28 -1.18 0.00 0.00 179.01 178.09 3g3m h VAL 249 N 0.17 1.38 0.05 0.32 2.07 -0.89 0.12 116.25 119.47 3g3m h VAL 249 Ca 0.07 -1.72 -0.19 0.00 0.82 0.00 0.00 66.70 65.69 3g3m h VAL 249 Cb 0.20 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3g3m h VAL 249 CO -0.00 0.51 -0.96 0.40 0.02 0.00 0.00 177.57 177.53 3g3m h ILE 250 N 0.02 1.23 0.03 4.57 1.08 -1.09 -1.71 117.51 121.63 3g3m h ILE 250 Ca -0.02 -2.33 -0.00 0.00 -0.39 0.00 0.00 64.86 62.12 3g3m h ILE 250 Cb 1.01 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 3g3m h ILE 250 CO 0.08 0.57 -0.02 1.23 -0.69 0.00 0.00 178.15 179.32 3g3m h GLY 251 N -0.55 -0.05 0.82 5.37 0.00 -1.04 -3.06 103.07 104.56 3g3m h GLY 251 Ca -0.23 0.02 -0.34 0.00 0.00 0.00 0.00 47.33 46.78 3g3m h GLY 251 CO -0.03 -0.02 -1.84 0.50 0.00 0.00 0.00 176.54 175.16 3g3m h LYS 252 N -0.86 0.22 -0.00 4.80 1.79 -1.08 -3.39 116.57 118.04 3g3m h LYS 252 Ca -0.00 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 3g3m h LYS 252 Cb 0.71 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3g3m h LYS 252 CO 0.01 1.05 -0.53 0.54 -1.08 0.00 0.00 179.45 179.44 3g3m n ARG 253 N -3.39 0.32 -1.00 3.15 1.74 -0.02 -4.98 116.66 112.47 3g3m n ARG 253 Ca -0.25 -0.21 -0.00 0.00 -0.77 0.00 0.00 57.85 56.61 3g3m n ARG 253 Cb 1.05 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 31.00 3g3m n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3m n GLY 254 N 1.45 0.44 3.66 -0.13 0.00 -1.05 -0.83 105.19 108.74 3g3m n GLY 254 Ca 0.07 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 3g3m n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g3m s SER 255 N -2.58 2.41 -0.24 1.61 0.01 -0.67 -4.28 113.70 109.97 3g3m s SER 255 Ca 0.00 1.18 -0.02 0.00 1.31 0.00 0.00 55.95 58.42 3g3m s SER 255 Cb 0.00 -1.85 -0.14 0.00 0.21 0.00 0.00 66.02 64.24 3g3m s SER 255 CO 0.00 -3.26 -0.24 0.47 0.41 0.00 0.00 173.24 170.62 3g3m n ASP 256 N -4.26 2.07 -4.02 2.44 8.00 -0.51 -4.61 116.55 115.66 3g3m n ASP 256 Ca 0.05 -0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.35 3g3m n ASP 256 Cb 0.57 -0.47 -0.15 0.00 -0.02 0.00 0.00 41.12 41.05 3g3m n ASP 256 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3g3m s ILE 257 N -2.46 0.78 -0.10 0.53 1.01 -0.63 -4.83 121.20 115.50 3g3m s ILE 257 Ca -0.32 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 3g3m s ILE 257 Cb 0.10 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 3g3m s ILE 257 CO 0.50 0.23 0.20 0.27 0.00 0.00 0.00 174.94 176.15 3g3m s ILE 258 N -0.01 5.40 -0.23 2.92 -4.36 -0.67 -0.76 121.20 123.49 3g3m s ILE 258 Ca 0.00 0.35 -0.06 0.00 -0.26 0.00 0.00 60.65 60.68 3g3m s ILE 258 Cb -0.06 -3.48 -0.02 0.00 1.25 0.00 0.00 42.46 40.15 3g3m s ILE 258 CO 0.00 0.60 0.03 -0.63 0.24 0.00 0.00 174.94 175.18 3g3m s ILE 259 N -0.93 4.07 -0.08 8.37 1.01 0.11 -0.48 121.20 133.26 3g3m s ILE 259 Ca 0.17 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3g3m s ILE 259 Cb -0.13 -2.88 0.02 0.00 0.01 0.00 0.00 42.46 39.48 3g3m s ILE 259 CO 0.06 0.38 -0.09 -0.69 0.00 0.00 0.00 174.94 174.61 3g3m s VAL 260 N 1.35 0.97 0.00 2.92 1.01 -0.60 -4.10 120.40 121.95 3g3m s VAL 260 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3g3m s VAL 260 Cb -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3g3m s VAL 260 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3g3m n GLY 261 N 4.39 0.11 0.35 4.51 0.00 -1.26 -0.55 105.19 112.74 3g3m n GLY 261 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3g3m n GLY 261 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g3m h ARG 262 N 0.00 0.24 -0.46 1.61 3.08 -1.93 0.15 114.38 117.06 3g3m h ARG 262 Ca 0.00 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.17 3g3m h ARG 262 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3g3m h ARG 262 CO 0.00 0.16 0.35 0.78 -1.07 0.00 0.00 179.97 180.18 3g3m h GLY 263 N 0.25 0.00 0.00 0.04 0.00 -1.89 -1.50 103.07 99.97 3g3m h GLY 263 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.24 3g3m h GLY 263 CO -0.05 0.00 -2.05 1.39 0.00 0.00 0.00 176.54 175.84 3g3m n ILE 264 N -4.32 1.52 -0.06 2.60 5.41 0.04 -4.49 119.36 120.07 3g3m n ILE 264 Ca 0.08 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3g3m n ILE 264 Cb 0.55 -2.01 0.29 0.00 -0.71 0.00 0.00 39.64 37.76 3g3m n ILE 264 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3g3m h ILE 265 N -1.00 1.18 0.00 1.39 1.08 -0.65 -1.61 117.51 117.90 3g3m h ILE 265 Ca -0.50 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 3g3m h ILE 265 Cb 1.42 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 3g3m h ILE 265 CO -0.30 0.23 -0.11 -1.20 -0.69 0.00 0.00 178.15 176.08 3g3m n SER 266 N -4.34 0.14 -4.76 1.72 7.64 -0.58 -4.88 113.62 108.56 3g3m n SER 266 Ca 0.03 0.35 -0.33 0.00 1.01 0.00 0.00 58.87 59.93 3g3m n SER 266 Cb 0.18 -0.36 0.05 0.00 -1.01 0.00 0.00 64.21 63.07 3g3m n SER 266 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g3m s ALA 267 N -3.01 2.44 0.03 -0.43 0.00 -0.61 -4.98 121.76 115.21 3g3m s ALA 267 Ca 0.13 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.47 3g3m s ALA 267 Cb 0.18 -3.35 -0.17 0.00 0.00 0.00 0.00 23.12 19.78 3g3m s ALA 267 CO 0.57 -1.32 1.43 0.00 0.00 0.00 0.00 175.76 176.45 3g3m h ALA 268 N 0.12 -0.31 -2.13 0.00 0.00 -1.90 -3.37 119.26 111.68 3g3m h ALA 268 Ca -0.47 -0.15 -0.76 0.00 0.00 0.00 0.00 54.91 53.53 3g3m h ALA 268 Cb 1.26 0.12 -0.24 0.00 0.00 0.00 0.00 17.79 18.93 3g3m h ALA 268 CO 0.54 -0.56 -0.19 0.34 0.00 0.00 0.00 179.25 179.38 3g3m s ASP 269 N -5.11 6.22 0.35 0.00 -1.08 -1.26 -4.92 116.67 110.87 3g3m s ASP 269 Ca -0.15 -1.83 0.18 0.00 -0.52 0.00 0.00 52.55 50.23 3g3m s ASP 269 Cb 0.03 -2.21 0.55 0.00 -1.46 0.00 0.00 42.92 39.83 3g3m s ASP 269 CO 0.61 -0.85 1.67 0.03 0.52 0.00 0.00 175.17 177.15 3g3m h ARG 270 N 8.83 0.00 -0.05 4.34 -0.00 -1.82 -1.74 114.38 123.95 3g3m h ARG 270 Ca -0.28 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.19 3g3m h ARG 270 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.07 3g3m h ARG 270 CO 1.02 0.41 -0.03 1.25 0.00 0.00 0.00 179.97 182.62 3g3m h LEU 271 N 0.00 0.11 -0.33 3.04 5.85 -1.93 -1.07 115.31 120.99 3g3m h LEU 271 Ca -0.00 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.32 3g3m h LEU 271 Cb 1.01 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 3g3m h LEU 271 CO 0.05 0.54 0.02 -0.08 -0.34 0.00 0.00 178.44 178.63 3g3m h GLU 272 N -0.31 0.12 -0.46 1.25 4.81 -1.97 -0.89 114.58 117.13 3g3m h GLU 272 Ca 0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3g3m h GLU 272 Cb 0.50 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3g3m h GLU 272 CO 0.01 0.08 0.24 0.00 -0.73 0.00 0.00 179.01 178.61 3g3m h ALA 273 N 1.27 0.58 -0.69 2.92 0.00 -1.28 -0.03 119.26 122.02 3g3m h ALA 273 Ca 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3g3m h ALA 273 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3g3m h ALA 273 CO -0.25 -0.10 0.33 0.00 0.00 0.00 0.00 179.25 179.24 3g3m h ALA 274 N 1.23 0.88 -0.77 0.00 0.00 -0.80 -1.03 119.26 118.77 3g3m h ALA 274 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3g3m h ALA 274 Cb 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3g3m h ALA 274 CO -0.12 0.44 0.40 0.93 0.00 0.00 0.00 179.25 180.90 3g3m h GLU 275 N 0.95 1.07 -0.56 0.00 4.39 -0.41 0.16 114.58 120.18 3g3m h GLU 275 Ca 0.24 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3g3m h GLU 275 Cb 0.11 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3g3m h GLU 275 CO -0.03 0.80 0.07 0.52 -1.16 0.00 0.00 179.01 179.21 3g3m h MET 276 N 1.07 0.91 -0.25 2.33 2.86 -0.35 -0.28 114.93 121.23 3g3m h MET 276 Ca 0.27 -0.23 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 3g3m h MET 276 Cb 0.05 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3g3m h MET 276 CO -0.04 0.86 -0.52 1.88 1.06 0.00 0.00 176.91 180.15 3g3m h TYR 277 N 0.86 0.87 -0.18 -0.22 -1.99 -0.79 -2.25 116.97 113.27 3g3m h TYR 277 Ca 0.17 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 60.59 3g3m h TYR 277 Cb 0.40 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 3g3m h TYR 277 CO 0.02 1.07 0.06 -0.09 -0.00 0.00 0.00 178.16 179.22 3g3m h ARG 278 N 0.54 0.27 -0.63 4.88 2.43 -0.44 -1.17 114.38 120.26 3g3m h ARG 278 Ca 0.02 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3g3m h ARG 278 Cb 1.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 3g3m h ARG 278 CO 0.11 0.38 0.17 0.87 -1.51 0.00 0.00 179.97 179.99 3g3m h LYS 279 N 0.11 0.98 0.14 0.20 1.57 -1.11 -0.07 116.57 118.40 3g3m h LYS 279 Ca 0.06 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3g3m h LYS 279 Cb 0.22 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3g3m h LYS 279 CO -0.00 0.86 -0.07 0.00 -0.57 0.00 0.00 179.45 179.67 3g3m h ALA 280 N 1.25 -0.19 -0.35 3.86 0.00 -1.23 -1.52 119.26 121.07 3g3m h ALA 280 Ca 0.21 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3g3m h ALA 280 Cb 0.30 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3g3m h ALA 280 CO -0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 179.25 178.51 3g3m h ALA 281 N 0.56 1.04 -0.14 0.00 0.00 -1.05 -2.19 119.26 117.49 3g3m h ALA 281 Ca -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3g3m h ALA 281 Cb 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g3m h ALA 281 CO 0.03 0.58 -0.09 2.35 0.00 0.00 0.00 179.25 182.12 3g3m h TRP 282 N 0.58 0.36 -0.66 0.00 2.91 -0.95 -1.74 115.95 116.45 3g3m h TRP 282 Ca 0.09 -0.09 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 3g3m h TRP 282 Cb 0.62 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.16 3g3m h TRP 282 CO 0.03 0.66 0.18 1.49 -1.03 0.00 0.00 178.44 179.76 3g3m h GLU 283 N -0.05 1.03 -0.76 2.65 4.57 -1.29 -0.57 114.58 120.16 3g3m h GLU 283 Ca 0.03 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.02 3g3m h GLU 283 Cb 0.57 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.97 3g3m h GLU 283 CO 0.02 0.90 0.48 0.00 -1.18 0.00 0.00 179.01 179.23 3g3m h ALA 284 N 1.21 1.00 -0.02 2.92 0.00 -1.31 0.20 119.26 123.27 3g3m h ALA 284 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3g3m h ALA 284 Cb 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g3m h ALA 284 CO -0.00 0.28 0.01 -0.92 0.00 0.00 0.00 179.25 178.62 3g3m h TYR 285 N 0.94 0.02 -0.76 0.00 3.20 -0.89 -2.12 116.97 117.37 3g3m h TYR 285 Ca 0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3g3m h TYR 285 Cb 0.02 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3g3m h TYR 285 CO -0.03 0.04 0.48 -0.07 -1.64 0.00 0.00 178.16 176.94 3g3m h LEU 286 N -0.01 0.89 -0.70 2.82 3.38 -0.66 -1.28 115.31 119.76 3g3m h LEU 286 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3g3m h LEU 286 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3g3m h LEU 286 CO -0.00 0.67 0.40 -1.28 0.09 0.00 0.00 178.44 178.32 3g3m h SER 287 N 1.03 0.86 -0.05 -0.43 0.87 -0.92 -1.52 113.55 113.39 3g3m h SER 287 Ca 0.28 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 3g3m h SER 287 Cb -0.08 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3g3m h SER 287 CO -0.06 0.69 -0.22 -0.09 -0.53 0.00 0.00 176.83 176.63 3g3m h ARG 288 N 0.96 0.45 -0.24 2.24 2.43 -0.94 -2.33 114.38 116.95 3g3m h ARG 288 Ca 0.25 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3g3m h ARG 288 Cb 0.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3g3m h ARG 288 CO -0.04 0.65 -0.30 1.25 -1.51 0.00 0.00 179.97 180.02 3g3m h LEU 289 N 0.41 0.50 0.00 3.80 5.85 -0.76 -3.49 115.31 121.62 3g3m h LEU 289 Ca 0.07 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3g3m h LEU 289 Cb 0.61 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3g3m h LEU 289 CO 0.04 0.78 0.00 0.61 -0.34 0.00 0.00 178.44 179.53