#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdm s ALA 4 N 0.00 1.46 0.72 3.14 0.00 -1.26 -5.03 121.76 120.80 3gdm s ALA 4 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 3gdm s ALA 4 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 20.01 3gdm s ALA 4 CO 0.00 -2.43 1.07 0.95 0.00 0.00 0.00 175.76 175.35 3gdm s THR 5 N -3.01 3.77 0.26 0.00 -4.23 -1.26 -4.82 115.64 106.35 3gdm s THR 5 Ca 0.64 0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 61.68 3gdm s THR 5 Cb -0.17 -3.30 0.26 0.00 1.34 0.00 0.00 72.50 70.62 3gdm s THR 5 CO 0.56 -0.75 1.89 1.88 -0.54 0.00 0.00 174.62 177.66 3gdm h TYR 6 N -0.83 1.18 -0.67 3.99 0.05 -1.95 0.05 116.97 118.79 3gdm h TYR 6 Ca -0.45 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.34 3gdm h TYR 6 Cb 1.22 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 3gdm h TYR 6 CO 0.58 0.65 0.32 -0.22 -1.05 0.00 0.00 178.16 178.44 3gdm h LYS 7 N 1.19 0.96 -0.33 4.88 3.64 -1.92 -1.26 116.57 123.73 3gdm h LYS 7 Ca 0.41 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.51 3gdm h LYS 7 Cb 0.09 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3gdm h LYS 7 CO -0.15 0.77 -0.35 0.93 -2.27 0.00 0.00 179.45 178.37 3gdm h GLU 8 N 0.93 0.76 -0.12 1.90 5.08 -1.72 -2.93 114.58 118.48 3gdm h GLU 8 Ca 0.23 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 3gdm h GLU 8 Cb 0.12 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3gdm h GLU 8 CO -0.03 0.99 -0.39 0.00 -1.00 0.00 0.00 179.01 178.59 3gdm h ARG 9 N 0.63 0.25 -0.53 2.33 3.08 -0.75 -2.98 114.38 116.41 3gdm h ARG 9 Ca 0.06 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3gdm h ARG 9 Cb 0.89 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3gdm h ARG 9 CO 0.08 0.60 -0.10 0.00 -1.07 0.00 0.00 179.97 179.48 3gdm h ALA 10 N 1.39 0.83 0.00 0.04 0.00 -1.10 -1.07 119.26 119.35 3gdm h ALA 10 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3gdm h ALA 10 Cb 0.78 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gdm h ALA 10 CO 0.06 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.94 3gdm h ALA 11 N 1.00 1.01 -0.00 0.00 0.00 -1.37 -3.26 119.26 116.63 3gdm h ALA 11 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gdm h ALA 11 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gdm h ALA 11 CO 0.04 0.03 -0.07 0.25 0.00 0.00 0.00 179.25 179.51 3gdm n THR 12 N -3.13 0.00 -2.34 0.00 -2.24 -1.13 -5.04 114.28 100.41 3gdm n THR 12 Ca 0.01 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.91 3gdm n THR 12 Cb 0.32 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 3gdm n THR 12 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3gdm s HIS 13 N -0.76 3.38 -0.15 4.78 2.46 -0.42 -4.93 115.29 119.65 3gdm s HIS 13 Ca 0.05 1.32 0.30 0.00 0.47 0.00 0.00 55.06 57.20 3gdm s HIS 13 Cb 0.04 -3.48 1.11 0.00 -0.13 0.00 0.00 32.58 30.12 3gdm s HIS 13 CO 0.11 -1.44 1.86 -1.00 -2.47 0.00 0.00 174.74 171.80 3gdm h PRO 14 N 5.67 0.00 -4.84 2.88 0.13 -1.91 -3.43 132.00 130.51 3gdm h PRO 14 Ca -0.44 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 3gdm h PRO 14 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 3gdm h PRO 14 CO 0.77 0.00 -0.38 0.45 -0.23 0.00 0.00 178.00 178.62 3gdm s SER 15 N -5.37 6.12 0.26 1.44 0.15 -1.26 -4.70 113.70 110.35 3gdm s SER 15 Ca 0.03 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 3gdm s SER 15 Cb 0.09 -2.17 0.51 0.00 -1.71 0.00 0.00 66.02 62.74 3gdm s SER 15 CO 0.53 -0.29 1.77 -0.65 1.20 0.00 0.00 173.24 175.80 3gdm h PRO 16 N 8.48 0.62 -0.37 5.44 0.11 -1.82 -0.63 132.00 143.83 3gdm h PRO 16 Ca -0.30 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 3gdm h PRO 16 Cb 1.15 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3gdm h PRO 16 CO 0.67 0.41 -0.12 -0.24 -0.21 0.00 0.00 178.00 178.51 3gdm h VAL 17 N 0.64 1.25 -0.35 3.15 3.04 -1.87 -0.09 116.25 122.02 3gdm h VAL 17 Ca 0.45 -1.11 -0.10 0.00 -1.01 0.00 0.00 66.70 64.93 3gdm h VAL 17 Cb 0.61 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3gdm h VAL 17 CO -0.35 0.37 -0.17 0.00 -1.01 0.00 0.00 177.57 176.41 3gdm h ALA 18 N 1.28 0.49 -0.74 3.17 0.00 -1.64 -1.25 119.26 120.57 3gdm h ALA 18 Ca 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3gdm h ALA 18 Cb 0.55 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3gdm h ALA 18 CO 0.03 0.42 0.43 0.00 0.00 0.00 0.00 179.25 180.13 3gdm h ALA 19 N 0.78 0.95 -0.46 0.00 0.00 -0.90 -0.17 119.26 119.45 3gdm h ALA 19 Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gdm h ALA 19 Cb 0.71 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3gdm h ALA 19 CO 0.05 0.44 0.27 -0.22 0.00 0.00 0.00 179.25 179.80 3gdm h LYS 20 N 1.02 0.54 -0.28 0.00 3.64 -0.77 -0.71 116.57 120.00 3gdm h LYS 20 Ca 0.26 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3gdm h LYS 20 Cb 0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3gdm h LYS 20 CO -0.05 0.35 0.01 1.25 -2.27 0.00 0.00 179.45 178.75 3gdm h LEU 21 N 0.55 0.48 -1.09 5.20 5.85 -0.77 -1.97 115.31 123.56 3gdm h LEU 21 Ca 0.18 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3gdm h LEU 21 Cb 0.01 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3gdm h LEU 21 CO -0.08 0.66 0.61 -0.26 -0.34 0.00 0.00 178.44 179.03 3gdm h PHE 22 N 0.28 1.12 -0.42 1.25 0.05 -0.79 -0.68 116.94 117.75 3gdm h PHE 22 Ca 0.08 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.84 3gdm h PHE 22 Cb 0.41 -0.37 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 3gdm h PHE 22 CO 0.03 0.62 0.05 -0.91 -0.18 0.00 0.00 178.31 177.92 3gdm h ASN 23 N 1.13 0.69 -0.72 2.17 -0.26 -0.93 -1.54 115.58 116.11 3gdm h ASN 23 Ca 0.39 -0.27 0.02 0.00 -0.56 0.00 0.00 56.30 55.88 3gdm h ASN 23 Cb 0.10 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 3gdm h ASN 23 CO -0.14 0.79 0.46 0.40 -1.06 0.00 0.00 177.43 177.89 3gdm h ILE 24 N 0.56 1.13 -0.51 2.81 2.04 -0.57 0.39 117.51 123.36 3gdm h ILE 24 Ca 0.13 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3gdm h ILE 24 Cb 0.41 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3gdm h ILE 24 CO 0.01 0.17 0.26 0.24 0.00 0.00 0.00 178.15 178.83 3gdm h MET 25 N 0.92 0.72 -0.19 2.37 2.86 -0.92 -0.52 114.93 120.18 3gdm h MET 25 Ca 0.28 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3gdm h MET 25 Cb -0.03 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 3gdm h MET 25 CO -0.09 0.58 -0.09 1.25 1.06 0.00 0.00 176.91 179.62 3gdm h HIS 26 N 0.68 0.45 -0.55 -0.22 -0.00 -0.87 -0.82 115.15 113.83 3gdm h HIS 26 Ca 0.18 -0.11 -0.06 0.00 -0.00 0.00 0.00 60.37 60.37 3gdm h HIS 26 Cb 0.09 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 3gdm h HIS 26 CO -0.01 0.69 0.10 0.93 -0.00 0.00 0.00 177.93 179.64 3gdm h GLU 27 N 0.08 0.90 -0.13 5.26 4.39 -0.84 -3.13 114.58 121.11 3gdm h GLU 27 Ca 0.04 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3gdm h GLU 27 Cb 0.57 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3gdm h GLU 27 CO 0.03 0.87 0.00 1.63 -1.16 0.00 0.00 179.01 180.38 3gdm n LYS 28 N -4.37 2.03 -3.70 2.33 5.02 -0.21 -4.98 118.16 114.28 3gdm n LYS 28 Ca 0.02 -1.51 -0.26 0.00 -2.02 0.00 0.00 58.31 54.53 3gdm n LYS 28 Cb 0.26 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.84 3gdm n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gdm n GLN 29 N 0.79 -2.66 -3.71 1.97 6.02 -0.37 -4.99 117.38 114.43 3gdm n GLN 29 Ca 0.17 0.52 -0.14 0.00 -0.01 0.00 0.00 57.00 57.55 3gdm n GLN 29 Cb 0.47 -4.62 -0.09 0.00 1.02 0.00 0.00 30.24 27.02 3gdm n GLN 29 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gdm s THR 30 N -3.61 0.01 -0.07 5.09 -1.32 -0.85 -4.79 115.64 110.10 3gdm s THR 30 Ca 0.26 -0.12 0.14 0.00 -1.21 0.00 0.00 61.69 60.76 3gdm s THR 30 Cb -0.08 -0.66 0.28 0.00 -1.51 0.00 0.00 72.50 70.53 3gdm s THR 30 CO 0.84 -0.06 1.13 -0.46 -2.21 0.00 0.00 174.62 173.86 3gdm n ASN 31 N 2.27 1.15 -4.72 8.08 0.23 -1.26 -4.32 115.26 116.68 3gdm n ASN 31 Ca -0.16 -2.64 -0.37 0.00 -0.53 0.00 0.00 54.58 50.88 3gdm n ASN 31 Cb 0.57 -0.35 -0.06 0.00 -2.08 0.00 0.00 39.78 37.85 3gdm n ASN 31 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3gdm s LEU 32 N -1.29 4.26 -0.20 -4.53 2.96 -1.26 -1.11 118.68 117.50 3gdm s LEU 32 Ca 0.25 0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 54.81 3gdm s LEU 32 Cb 0.25 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.41 3gdm s LEU 32 CO -0.06 0.04 -0.12 0.00 -1.32 0.00 0.00 176.35 174.89 3gdm s ALA 34 N 1.35 3.56 -0.28 0.00 0.00 -0.29 -1.56 121.76 124.54 3gdm s ALA 34 Ca 0.05 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.08 3gdm s ALA 34 Cb -0.14 -2.67 0.08 0.00 0.00 0.00 0.00 23.12 20.39 3gdm s ALA 34 CO -0.08 0.35 -0.03 0.45 0.00 0.00 0.00 175.76 176.45 3gdm s SER 35 N -0.91 4.38 -0.79 0.00 0.15 -0.10 -0.41 113.70 116.01 3gdm s SER 35 Ca 0.30 -1.61 0.02 0.00 0.70 0.00 0.00 55.95 55.36 3gdm s SER 35 Cb -0.19 -1.44 0.22 0.00 -1.71 0.00 0.00 66.02 62.90 3gdm s SER 35 CO 0.19 -0.28 0.77 0.18 1.20 0.00 0.00 173.24 175.30 3gdm n LEU 36 N 4.46 3.98 -3.79 3.45 4.32 -1.25 -4.17 117.00 123.99 3gdm n LEU 36 Ca -0.07 -5.26 -0.42 0.00 -0.02 0.00 0.00 56.01 50.24 3gdm n LEU 36 Cb 0.42 -0.89 -0.02 0.00 -1.62 0.00 0.00 43.42 41.32 3gdm n LEU 36 CO 0.20 1.78 2.46 0.47 -1.22 0.00 0.00 177.39 181.08 3gdm n ASP 37 N 1.66 3.60 -4.98 -1.43 8.00 -1.26 -4.92 116.55 117.22 3gdm n ASP 37 Ca 0.24 -2.80 -0.19 0.00 0.71 0.00 0.00 54.79 52.75 3gdm n ASP 37 Cb 0.37 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 39.93 3gdm n ASP 37 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3gdm s VAL 38 N 3.94 3.91 -0.80 2.53 -7.23 -1.26 -5.05 120.40 116.44 3gdm s VAL 38 Ca 0.51 -1.04 0.23 0.00 -1.81 0.00 0.00 61.98 59.87 3gdm s VAL 38 Cb 0.13 -3.34 -0.09 0.00 0.56 0.00 0.00 36.38 33.63 3gdm s VAL 38 CO -0.02 -0.14 1.14 0.54 -0.31 0.00 0.00 175.10 176.30 3gdm n ARG 39 N -1.63 0.15 -4.78 4.82 5.12 -1.26 -4.63 116.66 114.45 3gdm n ARG 39 Ca 0.01 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.64 3gdm n ARG 39 Cb 0.58 -1.55 -0.14 0.00 -1.16 0.00 0.00 32.46 30.19 3gdm n ARG 39 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3gdm s THR 40 N -3.10 2.07 0.24 0.55 -4.23 -1.26 -0.62 115.64 109.29 3gdm s THR 40 Ca 0.07 -1.41 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 3gdm s THR 40 Cb 0.16 -1.78 0.23 0.00 1.34 0.00 0.00 72.50 72.44 3gdm s THR 40 CO 0.78 0.29 1.90 0.74 -0.54 0.00 0.00 174.62 177.79 3gdm h THR 41 N 4.20 1.25 -0.17 3.99 2.02 -1.92 -2.02 112.91 120.26 3gdm h THR 41 Ca -0.46 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.24 3gdm h THR 41 Cb 1.15 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 3gdm h THR 41 CO 0.43 0.26 -0.11 0.50 0.37 0.00 0.00 175.52 176.97 3gdm h LYS 42 N 1.29 -0.10 -0.57 6.66 3.64 -1.95 0.63 116.57 126.17 3gdm h LYS 42 Ca 0.34 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.62 3gdm h LYS 42 Cb -0.09 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3gdm h LYS 42 CO -0.07 -0.06 -0.06 1.49 -2.27 0.00 0.00 179.45 178.48 3gdm h GLU 43 N -0.10 1.05 0.02 1.90 4.81 -1.94 -1.79 114.58 118.52 3gdm h GLU 43 Ca 0.10 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 3gdm h GLU 43 Cb 0.25 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3gdm h GLU 43 CO -0.23 1.06 -0.09 1.25 -0.73 0.00 0.00 179.01 180.26 3gdm h LEU 44 N 0.94 -0.25 -1.04 1.64 5.85 -0.84 0.84 115.31 122.44 3gdm h LEU 44 Ca 0.16 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3gdm h LEU 44 Cb 0.62 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 3gdm h LEU 44 CO 0.04 -0.13 0.60 -0.07 -0.34 0.00 0.00 178.44 178.53 3gdm h LEU 45 N -0.16 1.09 -0.26 2.25 3.38 -0.79 0.11 115.31 120.93 3gdm h LEU 45 Ca 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gdm h LEU 45 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gdm h LEU 45 CO -0.08 0.81 0.08 -0.33 0.09 0.00 0.00 178.44 179.01 3gdm h GLU 46 N 1.27 0.41 -0.58 1.13 5.08 -0.87 -1.42 114.58 119.60 3gdm h GLU 46 Ca 0.34 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 3gdm h GLU 46 Cb -0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3gdm h GLU 46 CO -0.07 0.48 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.34 3gdm h LEU 47 N 0.26 1.00 -0.47 1.33 4.07 -0.45 -2.72 115.31 118.34 3gdm h LEU 47 Ca 0.09 -0.28 -0.05 0.00 0.08 0.00 0.00 57.88 57.71 3gdm h LEU 47 Cb 0.24 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 3gdm h LEU 47 CO -0.00 1.06 0.09 0.58 -1.08 0.00 0.00 178.44 179.08 3gdm h VAL 48 N 0.94 1.25 -0.91 1.22 2.07 -0.68 -1.97 116.25 118.17 3gdm h VAL 48 Ca 0.17 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3gdm h VAL 48 Cb 0.56 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3gdm h VAL 48 CO 0.03 0.32 0.60 -0.08 0.02 0.00 0.00 177.57 178.46 3gdm h GLU 49 N 0.65 1.11 -0.13 1.57 4.57 -1.16 0.47 114.58 121.67 3gdm h GLU 49 Ca 0.15 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 3gdm h GLU 49 Cb 0.38 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3gdm h GLU 49 CO 0.01 0.74 -0.64 0.00 -1.18 0.00 0.00 179.01 177.93 3gdm h ALA 50 N 1.47 0.65 0.00 2.92 0.00 -1.25 -3.29 119.26 119.76 3gdm h ALA 50 Ca 0.36 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gdm h ALA 50 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gdm h ALA 50 CO -0.11 0.72 -1.06 1.28 0.00 0.00 0.00 179.25 180.08 3gdm n LEU 51 N -3.90 0.63 -0.33 0.00 4.77 -0.76 -4.46 117.00 112.95 3gdm n LEU 51 Ca -0.04 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 3gdm n LEU 51 Cb 0.65 -0.09 0.11 0.00 -2.33 0.00 0.00 43.42 41.77 3gdm n LEU 51 CO 0.47 -0.04 0.67 1.23 -1.33 0.00 0.00 177.39 178.39 3gdm h GLY 52 N 4.33 0.57 2.00 -0.72 0.00 -0.13 0.74 103.07 109.86 3gdm h GLY 52 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 3gdm h GLY 52 CO 0.00 -0.33 -0.03 -2.55 0.00 0.00 0.00 176.54 173.63 3gdm h PRO 53 N -0.01 0.00 -0.11 4.80 0.11 -1.81 -3.09 132.00 131.89 3gdm h PRO 53 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3gdm h PRO 53 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3gdm h PRO 53 CO -0.94 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 178.51 3gdm n LYS 54 N -3.40 1.44 -4.37 1.05 5.02 0.22 -5.01 118.16 113.12 3gdm n LYS 54 Ca -0.02 -1.57 -0.26 0.00 -2.02 0.00 0.00 58.31 54.44 3gdm n LYS 54 Cb 0.14 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 3gdm n LYS 54 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3gdm s ILE 55 N -1.22 2.81 -0.22 -0.18 -4.36 -1.01 -4.61 121.20 112.41 3gdm s ILE 55 Ca 0.20 -1.99 0.13 0.00 -0.26 0.00 0.00 60.65 58.74 3gdm s ILE 55 Cb 0.13 -2.42 -0.18 0.00 1.25 0.00 0.00 42.46 41.25 3gdm s ILE 55 CO 0.20 -0.22 0.37 0.00 0.24 0.00 0.00 174.94 175.52 3gdm s LEU 57 N -3.44 0.34 -0.16 0.00 2.96 -1.21 -1.94 118.68 115.23 3gdm s LEU 57 Ca -0.01 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3gdm s LEU 57 Cb 0.09 1.65 0.03 0.00 0.50 0.00 0.00 46.19 48.45 3gdm s LEU 57 CO 0.53 -0.42 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.77 3gdm s LEU 58 N -0.93 1.89 -0.26 -0.68 2.96 -0.47 -1.14 118.68 120.05 3gdm s LEU 58 Ca -0.10 -0.60 -0.17 0.00 -0.22 0.00 0.00 54.13 53.04 3gdm s LEU 58 Cb -0.03 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3gdm s LEU 58 CO 0.05 -0.06 0.48 -0.75 -1.32 0.00 0.00 176.35 174.74 3gdm s LYS 59 N 1.43 4.07 0.31 1.98 2.20 0.45 -0.80 119.74 129.38 3gdm s LYS 59 Ca 0.04 0.26 0.10 0.00 -0.36 0.00 0.00 55.97 56.01 3gdm s LYS 59 Cb -0.14 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3gdm s LYS 59 CO -0.11 -0.31 -0.06 0.95 -0.36 0.00 0.00 175.35 175.46 3gdm s THR 60 N 2.18 2.73 -0.41 3.43 -4.23 0.11 -3.96 115.64 115.49 3gdm s THR 60 Ca 0.20 -2.11 0.05 0.00 -1.18 0.00 0.00 61.69 58.65 3gdm s THR 60 Cb -0.16 -2.65 0.19 0.00 1.34 0.00 0.00 72.50 71.22 3gdm s THR 60 CO 0.09 -0.30 0.38 1.41 -0.54 0.00 0.00 174.62 175.67 3gdm n HIS 61 N -0.83 -0.88 0.31 3.99 8.25 -1.26 -0.92 115.22 123.88 3gdm n HIS 61 Ca -0.05 -3.33 0.16 0.00 -0.26 0.00 0.00 57.72 54.24 3gdm n HIS 61 Cb 0.61 0.17 0.72 0.00 1.12 0.00 0.00 29.99 32.61 3gdm n HIS 61 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3gdm h VAL 62 N 4.13 0.00 0.00 1.59 -1.51 -1.98 -2.43 116.25 116.05 3gdm h VAL 62 Ca 0.23 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3gdm h VAL 62 Cb 0.91 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3gdm h VAL 62 CO 0.38 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.82 3gdm n ASP 63 N -2.71 0.00 -0.37 4.19 5.68 -1.26 -2.65 116.55 119.44 3gdm n ASP 63 Ca 0.00 -1.11 0.08 0.00 -0.50 0.00 0.00 54.79 53.26 3gdm n ASP 63 Cb 0.19 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.17 3gdm n ASP 63 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3gdm n ILE 64 N -0.89 0.00 -2.06 2.12 -5.35 -0.92 -4.99 119.36 107.27 3gdm n ILE 64 Ca 0.17 -0.34 -0.35 0.00 -0.27 0.00 0.00 62.75 61.97 3gdm n ILE 64 Cb 0.08 1.19 0.02 0.00 -1.74 0.00 0.00 39.64 39.19 3gdm n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gdm s LEU 65 N -2.02 3.63 0.03 7.28 1.02 -1.08 -4.73 118.68 122.80 3gdm s LEU 65 Ca 0.13 2.17 0.23 0.00 0.02 0.00 0.00 54.13 56.68 3gdm s LEU 65 Cb 0.13 -4.58 0.11 0.00 0.02 0.00 0.00 46.19 41.88 3gdm s LEU 65 CO 0.40 -1.42 1.10 0.35 0.02 0.00 0.00 176.35 176.81 3gdm n THR 66 N -1.68 0.09 -2.69 5.49 -2.24 0.21 -4.47 114.28 108.99 3gdm n THR 66 Ca 0.12 -0.13 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 3gdm n THR 66 Cb 0.51 0.37 0.03 0.00 -2.10 0.00 0.00 70.33 69.14 3gdm n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gdm n ASP 67 N -1.75 1.66 -4.76 3.42 3.85 -1.26 -5.10 116.55 112.60 3gdm n ASP 67 Ca 0.03 -2.59 -0.40 0.00 -0.71 0.00 0.00 54.79 51.12 3gdm n ASP 67 Cb 0.39 -0.51 -0.04 0.00 -1.35 0.00 0.00 41.12 39.61 3gdm n ASP 67 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 3gdm s PHE 68 N -3.32 3.39 -0.03 2.11 2.19 -1.26 -4.78 117.98 116.28 3gdm s PHE 68 Ca 0.28 1.62 -0.30 0.00 0.33 0.00 0.00 56.93 58.87 3gdm s PHE 68 Cb 0.42 -3.36 0.07 0.00 -1.31 0.00 0.00 43.02 38.84 3gdm s PHE 68 CO 0.01 -0.90 0.66 -1.54 1.83 0.00 0.00 175.22 175.28 3gdm s SER 69 N -0.89 -0.64 0.19 6.13 1.04 -1.26 -4.98 113.70 113.30 3gdm s SER 69 Ca 0.48 0.64 -0.10 0.00 0.48 0.00 0.00 55.95 57.45 3gdm s SER 69 Cb -0.33 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.44 3gdm s SER 69 CO 0.42 -0.64 1.74 -0.03 0.98 0.00 0.00 173.24 175.72 3gdm h MET 70 N 2.94 1.05 0.10 4.02 4.05 -1.96 0.66 114.93 125.78 3gdm h MET 70 Ca -0.28 -0.20 -0.28 0.00 -0.28 0.00 0.00 59.70 58.66 3gdm h MET 70 Cb 1.16 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.78 3gdm h MET 70 CO 0.39 0.88 -1.36 0.93 0.23 0.00 0.00 176.91 177.98 3gdm h GLU 71 N 0.99 0.21 0.00 0.39 4.39 -1.96 -1.39 114.58 117.21 3gdm h GLU 71 Ca 0.23 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 3gdm h GLU 71 Cb 0.25 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3gdm h GLU 71 CO -0.01 1.10 -1.21 0.41 -1.16 0.00 0.00 179.01 178.14 3gdm n GLY 72 N 1.57 -1.33 0.62 -3.84 0.00 -1.21 -4.27 105.19 96.72 3gdm n GLY 72 Ca -0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 3gdm n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gdm n THR 73 N -2.77 1.35 -0.06 2.61 -1.04 0.21 -4.66 114.28 109.92 3gdm n THR 73 Ca -0.05 0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 62.14 3gdm n THR 73 Cb 0.69 -1.93 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 3gdm n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3gdm h VAL 74 N -0.45 1.20 0.05 12.58 2.07 -1.45 -2.01 116.25 128.24 3gdm h VAL 74 Ca -0.00 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.91 3gdm h VAL 74 Cb 0.46 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3gdm h VAL 74 CO -0.00 0.20 -0.39 0.50 0.02 0.00 0.00 177.57 177.89 3gdm h LYS 75 N 0.12 -0.56 -0.34 1.57 3.64 -1.43 0.14 116.57 119.72 3gdm h LYS 75 Ca 0.06 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3gdm h LYS 75 Cb 0.26 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3gdm h LYS 75 CO -0.00 -0.37 0.03 -1.35 -2.27 0.00 0.00 179.45 175.49 3gdm h PRO 76 N -0.58 0.51 -0.49 1.90 0.11 -1.76 -1.93 132.00 129.75 3gdm h PRO 76 Ca 0.04 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 3gdm h PRO 76 Cb 0.64 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3gdm h PRO 76 CO -0.27 0.51 0.08 1.25 -0.21 0.00 0.00 178.00 179.35 3gdm h LEU 77 N 0.49 0.77 -0.82 2.35 6.46 -0.65 -1.42 115.31 122.49 3gdm h LEU 77 Ca 0.11 -0.26 -0.07 0.00 -0.12 0.00 0.00 57.88 57.54 3gdm h LEU 77 Cb 0.27 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 3gdm h LEU 77 CO 0.00 0.84 0.07 0.11 -0.62 0.00 0.00 178.44 178.84 3gdm h LYS 78 N 0.68 0.96 -0.61 1.25 1.79 -0.42 -1.22 116.57 119.00 3gdm h LYS 78 Ca 0.15 -0.25 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 3gdm h LYS 78 Cb 0.39 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 3gdm h LYS 78 CO 0.01 0.90 0.17 0.00 -1.08 0.00 0.00 179.45 179.45 3gdm h ALA 79 N 1.17 1.15 -0.39 3.86 0.00 -1.10 -1.13 119.26 122.83 3gdm h ALA 79 Ca 0.18 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3gdm h ALA 79 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gdm h ALA 79 CO 0.01 0.58 -0.35 -0.07 0.00 0.00 0.00 179.25 179.42 3gdm h LEU 80 N 0.90 0.95 -0.99 0.00 3.38 -0.80 0.35 115.31 119.10 3gdm h LEU 80 Ca 0.20 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3gdm h LEU 80 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3gdm h LEU 80 CO -0.00 1.20 -0.08 0.77 0.09 0.00 0.00 178.44 180.42 3gdm h SER 81 N 0.75 0.62 -0.02 -0.43 4.64 -0.85 -1.04 113.55 117.21 3gdm h SER 81 Ca 0.07 -0.16 -0.25 0.00 -0.47 0.00 0.00 61.79 60.98 3gdm h SER 81 Cb 0.93 -0.17 0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3gdm h SER 81 CO 0.09 0.74 -0.93 0.00 -0.87 0.00 0.00 176.83 175.86 3gdm h ALA 82 N 1.32 0.23 -0.43 5.18 0.00 -1.07 -0.19 119.26 124.30 3gdm h ALA 82 Ca 0.11 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 3gdm h ALA 82 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gdm h ALA 82 CO 0.03 0.70 -0.02 -0.22 0.00 0.00 0.00 179.25 179.73 3gdm h LYS 83 N 0.44 0.77 -0.02 0.00 3.64 -0.70 -3.25 116.57 117.46 3gdm h LYS 83 Ca -0.10 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3gdm h LYS 83 Cb 1.57 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 3gdm h LYS 83 CO 0.18 0.86 -0.21 0.66 -2.27 0.00 0.00 179.45 178.67 3gdm n TYR 84 N -4.38 0.00 -2.91 1.91 4.02 -0.42 -5.03 117.16 110.35 3gdm n TYR 84 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 3gdm n TYR 84 Cb 0.31 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.64 3gdm n TYR 84 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3gdm n ASN 85 N 0.69 -7.03 -3.87 7.72 4.05 -0.14 -4.69 115.26 111.99 3gdm n ASN 85 Ca 0.11 -0.14 -0.10 0.00 0.45 0.00 0.00 54.58 54.90 3gdm n ASN 85 Cb 0.52 -4.82 -0.09 0.00 1.23 0.00 0.00 39.78 36.62 3gdm n ASN 85 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 3gdm s PHE 86 N -3.05 0.09 0.43 1.20 -0.12 -0.84 -4.85 117.98 110.85 3gdm s PHE 86 Ca 0.05 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 56.64 3gdm s PHE 86 Cb -0.01 -0.06 -0.00 0.00 -0.63 0.00 0.00 43.02 42.32 3gdm s PHE 86 CO 0.67 -0.39 0.64 -0.51 -0.05 0.00 0.00 175.22 175.57 3gdm s LEU 87 N -2.00 3.70 -0.11 -1.99 1.43 -0.82 -4.65 118.68 114.24 3gdm s LEU 87 Ca -0.06 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3gdm s LEU 87 Cb -0.02 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 3gdm s LEU 87 CO -0.03 -0.67 -0.08 -0.76 0.23 0.00 0.00 176.35 175.04 3gdm s LEU 88 N -4.49 3.04 -0.24 1.79 1.43 -1.26 -1.37 118.68 117.58 3gdm s LEU 88 Ca 0.48 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3gdm s LEU 88 Cb -0.10 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.50 3gdm s LEU 88 CO 0.37 0.24 0.03 0.12 0.23 0.00 0.00 176.35 177.33 3gdm s PHE 89 N -0.09 1.67 -0.35 0.29 5.36 0.02 -1.32 117.98 123.56 3gdm s PHE 89 Ca 0.00 -1.40 -0.24 0.00 -0.96 0.00 0.00 56.93 54.34 3gdm s PHE 89 Cb -0.13 -1.41 0.01 0.00 -0.34 0.00 0.00 43.02 41.14 3gdm s PHE 89 CO 0.03 -0.74 0.80 -2.00 -1.46 0.00 0.00 175.22 171.86 3gdm s GLU 90 N 1.64 3.82 -1.42 10.12 2.56 -0.68 0.06 118.70 134.80 3gdm s GLU 90 Ca 0.01 0.41 -0.08 0.00 0.00 0.00 0.00 54.97 55.31 3gdm s GLU 90 Cb -0.18 -3.79 -0.04 0.00 2.00 0.00 0.00 34.13 32.13 3gdm s GLU 90 CO -0.12 -0.82 2.85 -3.47 -0.56 0.00 0.00 175.26 173.14 3gdm n ASP 91 N 6.40 8.33 0.21 -1.70 2.03 -0.10 -3.94 116.55 127.78 3gdm n ASP 91 Ca 0.04 -2.73 0.11 0.00 0.52 0.00 0.00 54.79 52.72 3gdm n ASP 91 Cb 0.48 -1.49 0.19 0.00 -0.72 0.00 0.00 41.12 39.58 3gdm n ASP 91 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3gdm h ARG 92 N 4.73 0.00 -6.28 -0.67 9.65 -1.85 -3.48 114.38 116.48 3gdm h ARG 92 Ca 0.78 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 59.23 3gdm h ARG 92 Cb 0.37 0.00 0.07 0.00 -1.39 0.00 0.00 29.97 29.02 3gdm h ARG 92 CO 1.59 0.08 -0.92 0.54 2.80 0.00 0.00 179.97 184.06 3gdm n ARG 93 N -3.12 -1.14 -1.73 0.20 1.74 -1.23 -4.87 116.66 106.50 3gdm n ARG 93 Ca 0.03 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 3gdm n ARG 93 Cb 0.54 -3.95 -0.00 0.00 -1.02 0.00 0.00 32.46 28.02 3gdm n ARG 93 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3gdm n PHE 94 N -4.11 2.63 -2.89 -1.55 3.01 -0.86 -4.65 117.46 109.03 3gdm n PHE 94 Ca -0.10 0.49 -0.12 0.00 1.01 0.00 0.00 57.45 58.72 3gdm n PHE 94 Cb 0.59 -2.48 0.03 0.00 -0.01 0.00 0.00 39.48 37.61 3gdm n PHE 94 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gdm n ALA 95 N 0.52 1.65 -3.19 4.37 0.00 -1.26 -1.49 120.51 121.11 3gdm n ALA 95 Ca 0.04 -2.62 -0.12 0.00 0.00 0.00 0.00 53.44 50.73 3gdm n ALA 95 Cb 0.37 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3gdm n ALA 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gdm s ASP 96 N -2.18 0.49 0.21 0.00 -1.08 -1.26 -4.97 116.67 107.89 3gdm s ASP 96 Ca 0.30 -1.29 0.05 0.00 -0.52 0.00 0.00 52.55 51.09 3gdm s ASP 96 Cb 0.37 0.70 -0.02 0.00 -1.46 0.00 0.00 42.92 42.51 3gdm s ASP 96 CO -0.04 -1.37 0.19 2.30 0.52 0.00 0.00 175.17 176.76 3gdm n ILE 97 N -0.52 0.00 -4.70 4.11 -6.64 -1.26 -4.73 119.36 105.62 3gdm n ILE 97 Ca -0.02 -1.56 0.00 0.00 -1.77 0.00 0.00 62.75 59.40 3gdm n ILE 97 Cb 0.61 0.78 0.00 0.00 -1.44 0.00 0.00 39.64 39.60 3gdm n ILE 97 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3gdm n GLY 98 N -0.41 0.25 0.23 3.28 0.00 -1.26 -3.03 105.19 104.26 3gdm n GLY 98 Ca 0.05 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.19 3gdm n GLY 98 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gdm h ASN 99 N 0.77 0.00 0.38 1.61 -1.24 -1.99 -2.42 115.58 112.69 3gdm h ASN 99 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3gdm h ASN 99 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 3gdm h ASN 99 CO 0.00 0.16 -0.23 0.74 -1.29 0.00 0.00 177.43 176.81 3gdm h THR 100 N 0.00 0.52 -0.28 -3.57 2.02 -1.99 -1.36 112.91 108.24 3gdm h THR 100 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3gdm h THR 100 Cb 0.31 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3gdm h THR 100 CO 0.02 0.00 -0.13 1.62 0.37 0.00 0.00 175.52 177.41 3gdm h VAL 101 N -0.58 1.23 -0.65 3.16 3.04 -1.42 -0.84 116.25 120.19 3gdm h VAL 101 Ca -0.04 -1.01 0.01 0.00 -1.01 0.00 0.00 66.70 64.65 3gdm h VAL 101 Cb 0.48 1.15 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 3gdm h VAL 101 CO 0.04 0.33 0.43 0.11 -1.01 0.00 0.00 177.57 177.47 3gdm h LYS 102 N 0.45 0.84 0.00 4.17 1.57 -1.14 -1.78 116.57 120.68 3gdm h LYS 102 Ca 0.08 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 3gdm h LYS 102 Cb 0.49 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3gdm h LYS 102 CO 0.03 0.56 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.70 3gdm h LEU 103 N 0.87 0.00 -1.43 2.94 3.38 -0.85 0.11 115.31 120.32 3gdm h LEU 103 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3gdm h LEU 103 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3gdm h LEU 103 CO -0.06 0.70 -0.10 1.56 0.09 0.00 0.00 178.44 180.63 3gdm h GLN 104 N 0.00 0.00 0.06 1.13 4.20 -0.72 0.25 115.11 120.03 3gdm h GLN 104 Ca -0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 3gdm h GLN 104 Cb 1.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 3gdm h GLN 104 CO 0.09 0.10 -1.90 0.98 -0.67 0.00 0.00 178.83 177.43 3gdm n TYR 105 N -3.27 0.89 0.02 2.96 9.36 -0.71 -4.61 117.16 121.80 3gdm n TYR 105 Ca 0.00 0.26 -0.03 0.00 3.32 0.00 0.00 57.90 61.45 3gdm n TYR 105 Cb 0.34 -1.11 -0.10 0.00 -0.63 0.00 0.00 39.34 37.84 3gdm n TYR 105 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3gdm h SER 106 N -0.37 0.00 0.00 2.98 4.64 -0.97 0.23 113.55 120.06 3gdm h SER 106 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3gdm h SER 106 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 3gdm h SER 106 CO -0.08 0.73 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 3gdm n ALA 107 N -2.44 0.00 -0.51 5.18 0.00 0.07 -4.54 120.51 118.28 3gdm n ALA 107 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3gdm n ALA 107 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 3gdm n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdm n GLY 108 N 2.44 -0.08 0.09 0.00 0.00 -1.25 -1.36 105.19 105.04 3gdm n GLY 108 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 3gdm n GLY 108 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gdm h VAL 109 N 0.00 1.53 0.00 1.61 -1.51 -1.97 -3.35 116.25 112.56 3gdm h VAL 109 Ca 0.00 -3.14 -0.02 0.00 -1.23 0.00 0.00 66.70 62.31 3gdm h VAL 109 Cb 0.00 2.91 -0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3gdm h VAL 109 CO 0.00 0.91 -0.35 1.88 -1.23 0.00 0.00 177.57 178.78 3gdm h TYR 110 N 0.05 0.00 -7.03 5.19 -1.99 -1.96 -3.46 116.97 107.78 3gdm h TYR 110 Ca -0.11 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.02 3gdm h TYR 110 Cb 1.92 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 40.43 3gdm h TYR 110 CO 0.05 0.08 -0.93 0.54 -0.00 0.00 0.00 178.16 177.90 3gdm n ARG 111 N -3.01 -0.92 -0.23 4.88 1.74 -0.46 -4.84 116.66 113.82 3gdm n ARG 111 Ca 0.02 0.09 -0.04 0.00 -0.77 0.00 0.00 57.85 57.16 3gdm n ARG 111 Cb 0.57 -3.58 0.02 0.00 -1.02 0.00 0.00 32.46 28.45 3gdm n ARG 111 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gdm h ILE 112 N -1.60 0.16 -0.05 0.55 2.04 -1.73 -1.65 117.51 115.22 3gdm h ILE 112 Ca -0.63 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3gdm h ILE 112 Cb 1.35 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3gdm h ILE 112 CO 0.71 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.96 3gdm h ALA 113 N 1.14 1.38 0.00 1.87 0.00 -0.79 0.41 119.26 123.26 3gdm h ALA 113 Ca 0.26 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3gdm h ALA 113 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3gdm h ALA 113 CO -0.73 -0.13 -0.25 0.93 0.00 0.00 0.00 179.25 179.07 3gdm h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.56 -3.38 114.58 114.72 3gdm h GLU 114 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3gdm h GLU 114 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3gdm h GLU 114 CO -0.00 0.25 -0.48 -2.67 -1.00 0.00 0.00 179.01 175.10 3gdm n TRP 115 N -3.49 0.00 -2.80 4.33 4.27 -0.79 -5.04 117.44 113.93 3gdm n TRP 115 Ca -0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.18 3gdm n TRP 115 Cb 0.41 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.33 3gdm n TRP 115 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gdm s ALA 116 N -1.33 3.50 0.25 -1.67 0.00 0.07 -4.79 121.76 117.78 3gdm s ALA 116 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 3gdm s ALA 116 Cb 0.00 -3.49 0.27 0.00 0.00 0.00 0.00 23.12 19.90 3gdm s ALA 116 CO 0.00 -1.38 1.86 -0.44 0.00 0.00 0.00 175.76 175.80 3gdm h ASP 117 N 8.16 1.05 -4.46 0.00 3.32 -1.56 -3.44 116.42 119.49 3gdm h ASP 117 Ca -0.22 -0.11 -0.36 0.00 0.02 0.00 0.00 57.03 56.36 3gdm h ASP 117 Cb 1.08 -0.27 -0.20 0.00 0.22 0.00 0.00 39.33 40.16 3gdm h ASP 117 CO 0.96 0.87 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.96 3gdm s ILE 118 N -5.71 0.98 0.22 0.35 1.01 -0.44 -1.10 121.20 116.51 3gdm s ILE 118 Ca -0.12 -1.41 -0.02 0.00 0.00 0.00 0.00 60.65 59.09 3gdm s ILE 118 Cb 0.17 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.52 3gdm s ILE 118 CO 0.82 -0.38 0.33 1.07 0.00 0.00 0.00 174.94 176.78 3gdm n THR 119 N 1.01 0.00 -4.16 2.92 5.66 -0.99 -1.68 114.28 117.05 3gdm n THR 119 Ca -0.19 -1.00 -0.11 0.00 -3.05 0.00 0.00 64.05 59.70 3gdm n THR 119 Cb 0.56 0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 69.89 3gdm n THR 119 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gdm s ASN 120 N -2.30 0.21 0.05 1.09 2.20 -1.25 -1.10 114.94 113.83 3gdm s ASN 120 Ca 0.16 -1.27 -0.18 0.00 -0.94 0.00 0.00 52.86 50.63 3gdm s ASN 120 Cb -0.01 0.35 0.04 0.00 -2.00 0.00 0.00 41.25 39.63 3gdm s ASN 120 CO 0.12 -0.80 0.42 0.00 -2.94 0.00 0.00 177.10 173.90 3gdm s ALA 121 N -4.10 -1.03 0.27 3.54 0.00 -0.66 -2.03 121.76 117.75 3gdm s ALA 121 Ca 0.31 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 3gdm s ALA 121 Cb 0.07 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 3gdm s ALA 121 CO 0.07 -0.47 0.77 -1.01 0.00 0.00 0.00 175.76 175.12 3gdm s HIS 122 N -2.52 3.57 -0.32 0.00 3.76 -0.56 -1.42 115.29 117.81 3gdm s HIS 122 Ca -0.05 1.42 0.25 0.00 -0.15 0.00 0.00 55.06 56.53 3gdm s HIS 122 Cb -0.01 -2.66 0.53 0.00 1.11 0.00 0.00 32.58 31.55 3gdm s HIS 122 CO -0.03 0.24 1.68 0.78 -0.85 0.00 0.00 174.74 176.55 3gdm h GLY 123 N 3.03 0.00 -0.19 -2.22 0.00 -1.91 -3.36 103.07 98.41 3gdm h GLY 123 Ca -0.48 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.13 3gdm h GLY 123 CO 0.65 0.00 0.69 -0.24 0.00 0.00 0.00 176.54 177.64 3gdm h VAL 124 N 0.00 0.50 0.00 4.60 3.04 -1.94 -1.01 116.25 121.43 3gdm h VAL 124 Ca -0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3gdm h VAL 124 Cb 0.92 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 3gdm h VAL 124 CO 0.00 0.06 0.00 1.33 -1.01 0.00 0.00 177.57 177.95 3gdm n VAL 125 N -4.59 0.40 0.00 1.51 0.24 -1.26 -5.02 118.33 109.61 3gdm n VAL 125 Ca 0.26 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.66 3gdm n VAL 125 Cb 0.94 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 3gdm n VAL 125 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gdm n GLY 126 N 0.75 0.42 0.29 7.63 0.00 -0.39 -4.58 105.19 109.31 3gdm n GLY 126 Ca 0.07 -1.95 0.18 0.00 0.00 0.00 0.00 46.02 44.33 3gdm n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdm h PRO 127 N 0.00 0.00 -0.01 1.61 0.13 -1.94 -2.92 132.00 128.87 3gdm h PRO 127 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gdm h PRO 127 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gdm h PRO 127 CO 0.00 0.00 0.02 0.78 -0.23 0.00 0.00 178.00 178.57 3gdm h GLY 128 N 0.00 0.00 1.66 1.56 0.00 -1.98 -1.79 103.07 102.51 3gdm h GLY 128 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3gdm h GLY 128 CO 0.00 0.00 -0.36 1.19 0.00 0.00 0.00 176.54 177.37 3gdm h ILE 129 N 0.00 1.29 0.27 2.60 6.09 -1.80 -0.98 117.51 124.98 3gdm h ILE 129 Ca 0.01 -1.45 -0.01 0.00 -1.37 0.00 0.00 64.86 62.03 3gdm h ILE 129 Cb 0.04 1.55 0.00 0.00 0.47 0.00 0.00 36.82 38.89 3gdm h ILE 129 CO -0.00 0.45 -0.13 0.58 -3.07 0.00 0.00 178.15 175.97 3gdm h VAL 130 N 0.33 0.66 -0.61 2.19 2.07 -1.56 -2.15 116.25 117.17 3gdm h VAL 130 Ca 0.04 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3gdm h VAL 130 Cb 0.79 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3gdm h VAL 130 CO 0.06 0.14 0.20 0.77 0.02 0.00 0.00 177.57 178.76 3gdm h SER 131 N -0.86 0.86 -0.01 0.57 4.64 -1.59 -0.83 113.55 116.34 3gdm h SER 131 Ca -0.04 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3gdm h SER 131 Cb 0.51 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3gdm h SER 131 CO 0.06 0.80 0.00 1.23 -0.87 0.00 0.00 176.83 178.05 3gdm h GLY 132 N 1.01 0.01 1.60 -0.77 0.00 -1.23 -1.92 103.07 101.77 3gdm h GLY 132 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 3gdm h GLY 132 CO -0.01 0.01 -0.21 1.41 0.00 0.00 0.00 176.54 177.73 3gdm h LEU 133 N -0.27 0.47 -0.16 3.11 3.38 -1.31 -1.75 115.31 118.78 3gdm h LEU 133 Ca 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gdm h LEU 133 Cb 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3gdm h LEU 133 CO 0.00 0.69 0.09 0.50 0.09 0.00 0.00 178.44 179.81 3gdm h LYS 134 N 0.42 0.22 -0.09 1.13 3.64 -1.06 -0.62 116.57 120.22 3gdm h LYS 134 Ca 0.07 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 3gdm h LYS 134 Cb 0.61 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3gdm h LYS 134 CO 0.04 0.23 -0.40 -0.56 -2.27 0.00 0.00 179.45 176.50 3gdm h GLN 135 N 0.15 0.18 -0.43 1.90 3.07 -1.21 -1.62 115.11 117.16 3gdm h GLN 135 Ca 0.06 -0.08 -0.05 0.00 0.09 0.00 0.00 58.65 58.66 3gdm h GLN 135 Cb 0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 3gdm h GLN 135 CO -0.01 0.56 0.07 0.00 0.09 0.00 0.00 178.83 179.54 3gdm h ALA 136 N 1.44 0.57 -0.39 0.06 0.00 -0.99 -1.87 119.26 118.08 3gdm h ALA 136 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3gdm h ALA 136 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3gdm h ALA 136 CO 0.06 0.29 0.13 0.00 0.00 0.00 0.00 179.25 179.73 3gdm h ALA 137 N 0.94 0.51 -0.55 0.00 0.00 -0.87 -2.49 119.26 116.79 3gdm h ALA 137 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gdm h ALA 137 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3gdm h ALA 137 CO 0.01 0.14 0.37 0.93 0.00 0.00 0.00 179.25 180.70 3gdm h GLU 138 N 0.48 0.68 -0.06 0.00 5.08 -1.16 -1.85 114.58 117.75 3gdm h GLU 138 Ca 0.13 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 3gdm h GLU 138 Cb 0.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3gdm h GLU 138 CO -0.01 0.45 -0.73 0.93 -1.00 0.00 0.00 179.01 178.66 3gdm h GLU 139 N 0.70 0.32 0.04 2.33 5.08 -1.06 -3.34 114.58 118.66 3gdm h GLU 139 Ca 0.21 -0.27 -0.27 0.00 -1.00 0.00 0.00 59.36 58.03 3gdm h GLU 139 Cb -0.02 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3gdm h GLU 139 CO -0.05 0.92 -1.47 -0.39 -1.00 0.00 0.00 179.01 177.02 3gdm h VAL 140 N 0.22 1.16 -3.34 3.13 -1.51 -1.12 -3.49 116.25 111.30 3gdm h VAL 140 Ca -0.03 -2.92 -0.04 0.00 -1.23 0.00 0.00 66.70 62.48 3gdm h VAL 140 Cb 1.30 2.63 -0.12 0.00 -2.13 0.00 0.00 31.29 32.97 3gdm h VAL 140 CO 0.12 0.73 -0.02 0.28 -1.23 0.00 0.00 177.57 177.45 3gdm s THR 141 N -2.63 0.05 -1.15 7.19 -1.32 -0.73 -4.98 115.64 112.07 3gdm s THR 141 Ca -0.05 -0.58 0.22 0.00 -1.21 0.00 0.00 61.69 60.07 3gdm s THR 141 Cb 0.08 -1.27 -0.14 0.00 -1.51 0.00 0.00 72.50 69.66 3gdm s THR 141 CO 0.83 -0.23 1.04 0.29 -2.21 0.00 0.00 174.62 174.34 3gdm n LYS 142 N -0.27 0.17 -2.08 7.08 4.01 -1.26 -4.35 118.16 121.46 3gdm n LYS 142 Ca -0.14 -0.13 -0.38 0.00 -0.51 0.00 0.00 58.31 57.15 3gdm n LYS 142 Cb 0.64 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.67 3gdm n LYS 142 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3gdm s GLU 143 N -2.92 3.59 0.21 1.97 0.41 -1.26 -4.93 118.70 115.77 3gdm s GLU 143 Ca 0.10 1.97 -0.32 0.00 -0.41 0.00 0.00 54.97 56.31 3gdm s GLU 143 Cb 0.17 -2.40 -0.13 0.00 -1.78 0.00 0.00 34.13 29.98 3gdm s GLU 143 CO 0.79 -0.75 1.52 -2.30 -0.49 0.00 0.00 175.26 174.04 3gdm n PRO 144 N -0.58 2.21 -4.15 0.39 -0.02 -1.26 -5.00 135.00 126.58 3gdm n PRO 144 Ca 0.08 0.79 -0.16 0.00 -2.02 0.00 0.00 63.50 62.18 3gdm n PRO 144 Cb 0.46 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.30 3gdm n PRO 144 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gdm s ARG 145 N 0.25 0.71 0.12 -0.52 1.81 -1.26 -4.76 118.95 115.30 3gdm s ARG 145 Ca 0.73 -0.83 -0.09 0.00 -1.72 0.00 0.00 55.73 53.82 3gdm s ARG 145 Cb -0.63 -0.63 -0.01 0.00 -0.45 0.00 0.00 34.95 33.23 3gdm s ARG 145 CO 0.43 0.14 0.22 0.20 -0.68 0.00 0.00 175.30 175.61 3gdm s GLY 146 N -1.55 0.26 -0.01 -3.53 0.00 -0.26 -4.68 107.32 97.56 3gdm s GLY 146 Ca -0.04 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 43.98 3gdm s GLY 146 CO 0.01 -0.83 -0.15 -2.27 0.00 0.00 0.00 173.10 169.86 3gdm s LEU 147 N -2.91 2.03 -0.12 0.66 2.96 -0.18 -2.34 118.68 118.79 3gdm s LEU 147 Ca 0.10 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3gdm s LEU 147 Cb 0.04 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 3gdm s LEU 147 CO -0.06 0.18 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.30 3gdm s LEU 148 N -0.38 2.95 0.24 -0.68 1.43 -0.26 -0.99 118.68 120.99 3gdm s LEU 148 Ca 0.06 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3gdm s LEU 148 Cb -0.06 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3gdm s LEU 148 CO -0.01 0.21 0.49 -0.04 0.23 0.00 0.00 176.35 177.24 3gdm s MET 149 N 0.08 3.64 -0.57 1.70 -1.94 -0.23 -1.66 119.30 120.33 3gdm s MET 149 Ca -0.03 -0.02 -0.05 0.00 -1.71 0.00 0.00 55.69 53.88 3gdm s MET 149 Cb -0.14 -2.71 0.15 0.00 2.01 0.00 0.00 34.83 34.13 3gdm s MET 149 CO 0.04 0.31 0.40 -0.51 -0.01 0.00 0.00 175.02 175.24 3gdm s LEU 150 N -3.22 5.45 0.03 -0.03 1.43 -0.50 -2.66 118.68 119.18 3gdm s LEU 150 Ca 0.43 -2.50 0.16 0.00 -1.03 0.00 0.00 54.13 51.20 3gdm s LEU 150 Cb -0.11 -1.90 -0.16 0.00 0.03 0.00 0.00 46.19 44.05 3gdm s LEU 150 CO 0.27 -0.48 0.77 0.00 0.23 0.00 0.00 176.35 177.15 3gdm n ALA 151 N 4.02 1.84 -3.70 4.21 0.00 -1.26 -3.78 120.51 121.83 3gdm n ALA 151 Ca 0.03 -0.60 -0.18 0.00 0.00 0.00 0.00 53.44 52.69 3gdm n ALA 151 Cb 0.40 -0.92 -0.17 0.00 0.00 0.00 0.00 19.45 18.75 3gdm n ALA 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gdm s GLU 152 N -2.85 -0.05 0.09 0.00 2.12 -1.26 -3.86 118.70 112.88 3gdm s GLU 152 Ca -0.03 0.34 -0.01 0.00 0.36 0.00 0.00 54.97 55.63 3gdm s GLU 152 Cb 0.09 -0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.02 3gdm s GLU 152 CO 0.82 -0.28 0.26 -0.51 -0.54 0.00 0.00 175.26 175.01 3gdm s LEU 153 N 1.85 4.33 0.00 2.70 1.43 -1.26 -4.90 118.68 122.82 3gdm s LEU 153 Ca 0.01 0.35 0.22 0.00 -1.03 0.00 0.00 54.13 53.67 3gdm s LEU 153 Cb -0.12 -3.06 0.13 0.00 0.03 0.00 0.00 46.19 43.17 3gdm s LEU 153 CO -0.03 0.13 1.15 -1.54 0.23 0.00 0.00 176.35 176.28 3gdm n SER 154 N 0.16 2.60 -4.79 2.29 3.41 -1.26 -4.90 113.62 111.13 3gdm n SER 154 Ca -0.04 -1.80 -0.35 0.00 -0.26 0.00 0.00 58.87 56.42 3gdm n SER 154 Cb 0.51 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 3gdm n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdm n LYS 156 N -0.83 2.33 -1.15 0.00 2.85 -1.26 -2.00 118.16 118.10 3gdm n LYS 156 Ca 0.09 0.84 -0.05 0.00 -1.05 0.00 0.00 58.31 58.14 3gdm n LYS 156 Cb 0.52 -2.62 -0.02 0.00 -0.65 0.00 0.00 35.03 32.25 3gdm n LYS 156 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gdm n GLY 157 N 3.44 0.71 3.69 2.58 0.00 -1.26 -4.99 105.19 109.37 3gdm n GLY 157 Ca 0.16 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3gdm n GLY 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gdm s SER 158 N -2.44 3.41 -0.21 1.61 1.04 -0.85 -4.92 113.70 111.34 3gdm s SER 158 Ca 0.00 2.34 0.15 0.00 0.48 0.00 0.00 55.95 58.92 3gdm s SER 158 Cb 0.00 -2.58 0.76 0.00 0.10 0.00 0.00 66.02 64.29 3gdm s SER 158 CO 0.00 -2.79 1.68 0.18 0.98 0.00 0.00 173.24 173.29 3gdm n LEU 159 N -3.52 5.29 -4.24 2.42 4.77 -1.26 -4.83 117.00 115.64 3gdm n LEU 159 Ca 0.13 -2.89 -0.42 0.00 -0.03 0.00 0.00 56.01 52.80 3gdm n LEU 159 Cb 0.51 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3gdm n LEU 159 CO 0.48 0.66 2.20 0.00 -1.33 0.00 0.00 177.39 179.41 3gdm n ALA 160 N 0.46 4.12 -1.40 -1.18 0.00 -1.26 -4.86 120.51 116.39 3gdm n ALA 160 Ca 0.26 -3.78 -0.30 0.00 0.00 0.00 0.00 53.44 49.62 3gdm n ALA 160 Cb 1.11 -3.58 0.22 0.00 0.00 0.00 0.00 19.45 17.20 3gdm n ALA 160 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gdm s THR 161 N 4.36 1.76 0.24 0.00 -4.23 -1.26 -4.72 115.64 111.78 3gdm s THR 161 Ca 0.53 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.97 3gdm s THR 161 Cb 0.08 -2.68 0.22 0.00 1.34 0.00 0.00 72.50 71.45 3gdm s THR 161 CO 0.03 0.00 1.88 1.23 -0.54 0.00 0.00 174.62 177.21 3gdm h GLY 162 N -2.20 1.35 1.01 3.99 0.00 -1.96 0.21 103.07 105.47 3gdm h GLY 162 Ca -0.45 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.23 3gdm h GLY 162 CO 0.37 0.56 0.02 -2.09 0.00 0.00 0.00 176.54 175.40 3gdm h GLU 163 N 1.28 0.88 -0.59 4.80 4.81 -1.98 -1.39 114.58 122.39 3gdm h GLU 163 Ca 0.33 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3gdm h GLU 163 Cb -0.03 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3gdm h GLU 163 CO -0.06 0.90 0.33 -0.92 -0.73 0.00 0.00 179.01 178.53 3gdm h TYR 164 N 0.75 0.81 -0.59 0.92 5.03 -1.74 -0.42 116.97 121.73 3gdm h TYR 164 Ca 0.15 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 3gdm h TYR 164 Cb 0.49 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 3gdm h TYR 164 CO 0.04 0.58 0.32 1.15 -1.32 0.00 0.00 178.16 178.93 3gdm h THR 165 N 0.80 1.19 -0.60 1.81 2.02 -0.74 -0.86 112.91 116.55 3gdm h THR 165 Ca 0.21 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3gdm h THR 165 Cb 0.03 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3gdm h THR 165 CO -0.04 0.21 0.32 0.11 0.37 0.00 0.00 175.52 176.49 3gdm h LYS 166 N 0.80 0.84 -0.81 6.66 1.57 -0.88 -0.66 116.57 124.08 3gdm h LYS 166 Ca 0.21 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gdm h LYS 166 Cb 0.05 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3gdm h LYS 166 CO -0.03 0.65 0.53 0.78 -0.57 0.00 0.00 179.45 180.80 3gdm h GLY 167 N 0.81 1.15 1.43 3.86 0.00 -0.59 -1.14 103.07 108.59 3gdm h GLY 167 Ca 0.21 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.91 3gdm h GLY 167 CO -0.03 0.43 -0.67 -0.84 0.00 0.00 0.00 176.54 175.43 3gdm h THR 168 N 1.11 1.33 -0.59 4.70 2.02 -0.70 -2.36 112.91 118.43 3gdm h THR 168 Ca 0.30 -1.97 -0.06 0.00 0.77 0.00 0.00 66.41 65.45 3gdm h THR 168 Cb -0.11 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3gdm h THR 168 CO -0.06 0.61 0.12 0.58 0.37 0.00 0.00 175.52 177.14 3gdm h VAL 169 N 0.41 1.24 -0.33 3.16 2.07 -0.64 -0.14 116.25 122.02 3gdm h VAL 169 Ca -0.02 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 3gdm h VAL 169 Cb 1.25 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3gdm h VAL 169 CO 0.13 0.34 -0.17 0.44 0.02 0.00 0.00 177.57 178.32 3gdm h ASP 170 N 0.88 0.60 -0.63 0.57 3.32 -1.10 -0.41 116.42 119.64 3gdm h ASP 170 Ca 0.19 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3gdm h ASP 170 Cb 0.35 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3gdm h ASP 170 CO 0.00 0.78 0.07 0.40 -1.72 0.00 0.00 179.24 178.77 3gdm h ILE 171 N 0.54 1.26 -0.78 0.35 2.04 -0.82 -2.32 117.51 117.78 3gdm h ILE 171 Ca 0.09 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 3gdm h ILE 171 Cb 0.60 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3gdm h ILE 171 CO 0.04 0.40 0.33 0.00 0.00 0.00 0.00 178.15 178.92 3gdm h ALA 172 N 1.06 1.10 0.00 1.87 0.00 -0.41 -2.23 119.26 120.65 3gdm h ALA 172 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gdm h ALA 172 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gdm h ALA 172 CO 0.02 0.65 0.00 1.63 0.00 0.00 0.00 179.25 181.55 3gdm n LYS 173 N -4.29 0.18 0.26 0.00 5.02 -0.22 -2.98 118.16 116.13 3gdm n LYS 173 Ca 0.07 0.44 0.13 0.00 -2.02 0.00 0.00 58.31 56.93 3gdm n LYS 173 Cb 0.17 -1.87 0.68 0.00 -0.02 0.00 0.00 35.03 33.99 3gdm n LYS 173 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3gdm h SER 174 N 0.00 0.00 -1.59 4.39 4.64 -0.94 -3.39 113.55 116.66 3gdm h SER 174 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3gdm h SER 174 Cb 0.32 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.15 3gdm h SER 174 CO 0.00 0.14 -0.58 -0.62 -0.87 0.00 0.00 176.83 174.90 3gdm s ASP 175 N -6.10 0.13 0.29 4.97 3.68 -1.16 -4.99 116.67 113.49 3gdm s ASP 175 Ca -0.02 -1.03 0.25 0.00 2.13 0.00 0.00 52.55 53.88 3gdm s ASP 175 Cb 0.12 1.13 1.01 0.00 -1.45 0.00 0.00 42.92 43.73 3gdm s ASP 175 CO 0.59 -0.26 1.75 0.07 0.13 0.00 0.00 175.17 177.45 3gdm h LYS 176 N 7.32 0.00 0.00 4.34 2.10 -1.77 -0.24 116.57 128.32 3gdm h LYS 176 Ca 0.02 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.54 3gdm h LYS 176 Cb 1.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 3gdm h LYS 176 CO 0.18 0.00 -0.58 -0.44 -2.00 0.00 0.00 179.45 176.61 3gdm h ASP 177 N 0.00 0.00 0.00 7.07 3.32 -1.94 -3.37 116.42 121.50 3gdm h ASP 177 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3gdm h ASP 177 Cb 0.41 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3gdm h ASP 177 CO 0.00 0.58 -1.54 0.33 -1.72 0.00 0.00 179.24 176.89 3gdm n PHE 178 N -3.31 0.00 -2.88 4.55 -0.00 -1.06 -4.34 117.46 110.42 3gdm n PHE 178 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.04 3gdm n PHE 178 Cb 0.74 -0.37 -0.05 0.00 -0.00 0.00 0.00 39.48 39.81 3gdm n PHE 178 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3gdm s VAL 179 N -2.19 4.60 -0.94 -2.13 1.01 -0.12 -1.01 120.40 119.61 3gdm s VAL 179 Ca -0.12 0.82 0.23 0.00 0.00 0.00 0.00 61.98 62.92 3gdm s VAL 179 Cb 0.03 -4.33 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 3gdm s VAL 179 CO 0.23 -0.64 1.16 2.30 0.00 0.00 0.00 175.10 178.15 3gdm n ILE 180 N 6.10 0.03 -1.11 2.22 -5.35 -0.16 -4.60 119.36 116.48 3gdm n ILE 180 Ca 0.05 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 3gdm n ILE 180 Cb 0.48 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 3gdm n ILE 180 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdm n GLY 181 N 1.48 -0.53 3.11 3.28 0.00 -1.25 -0.55 105.19 110.73 3gdm n GLY 181 Ca 0.04 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 3gdm n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdm s PHE 182 N -3.71 0.55 -0.42 1.61 0.08 -0.70 -1.07 117.98 114.33 3gdm s PHE 182 Ca 0.00 -1.06 -0.17 0.00 0.12 0.00 0.00 56.93 55.82 3gdm s PHE 182 Cb 0.00 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.09 3gdm s PHE 182 CO 0.00 -0.41 0.39 0.42 -0.10 0.00 0.00 175.22 175.52 3gdm s ILE 183 N -3.94 5.14 0.23 0.64 -1.09 -1.09 -2.07 121.20 119.03 3gdm s ILE 183 Ca 0.09 -0.45 -0.10 0.00 -2.23 0.00 0.00 60.65 57.96 3gdm s ILE 183 Cb 0.08 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 3gdm s ILE 183 CO -0.08 -0.39 0.40 0.00 -1.23 0.00 0.00 174.94 173.63 3gdm s ALA 184 N 1.99 0.08 -2.56 9.38 0.00 -0.62 -4.62 121.76 125.41 3gdm s ALA 184 Ca 0.10 -1.06 0.22 0.00 0.00 0.00 0.00 51.96 51.22 3gdm s ALA 184 Cb -0.18 1.14 0.12 0.00 0.00 0.00 0.00 23.12 24.20 3gdm s ALA 184 CO 0.12 -0.79 1.17 1.04 0.00 0.00 0.00 175.76 177.30 3gdm n GLN 185 N -0.35 1.89 -3.79 0.00 1.13 -1.26 -3.84 117.38 111.15 3gdm n GLN 185 Ca -0.01 -1.57 -0.08 0.00 -1.94 0.00 0.00 57.00 53.40 3gdm n GLN 185 Cb 0.63 -1.44 -0.02 0.00 0.11 0.00 0.00 30.24 29.51 3gdm n GLN 185 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3gdm s ARG 186 N -2.06 1.66 0.27 -1.09 1.04 -1.26 -4.94 118.95 112.57 3gdm s ARG 186 Ca 0.24 -0.92 -0.31 0.00 -1.04 0.00 0.00 55.73 53.70 3gdm s ARG 186 Cb 0.18 0.59 -0.12 0.00 -2.04 0.00 0.00 34.95 33.57 3gdm s ARG 186 CO 0.37 -0.75 1.62 -3.47 -0.04 0.00 0.00 175.30 173.03 3gdm n ASP 187 N -0.43 3.82 -1.09 -2.89 2.03 -1.26 -4.91 116.55 111.83 3gdm n ASP 187 Ca -0.06 1.13 0.09 0.00 0.52 0.00 0.00 54.79 56.47 3gdm n ASP 187 Cb 0.60 -1.58 0.26 0.00 -0.72 0.00 0.00 41.12 39.69 3gdm n ASP 187 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3gdm n MET 188 N 2.58 2.84 0.00 -0.67 2.81 -1.26 -5.07 117.12 118.36 3gdm n MET 188 Ca 0.11 -2.45 0.00 0.00 -1.81 0.00 0.00 57.70 53.55 3gdm n MET 188 Cb 0.36 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 3gdm n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdm n GLY 189 N 1.16 2.39 1.24 3.03 0.00 -1.26 -4.92 105.19 106.83 3gdm n GLY 189 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3gdm n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdm n GLY 190 N 0.00 2.18 0.23 -0.02 0.00 -1.26 -4.70 105.19 101.62 3gdm n GLY 190 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3gdm n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdm h ARG 191 N 2.79 0.00 0.00 1.61 3.08 -1.90 0.58 114.38 120.54 3gdm h ARG 191 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3gdm h ARG 191 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3gdm h ARG 191 CO 0.00 0.17 -0.17 -0.44 -1.07 0.00 0.00 179.97 178.46 3gdm h ASP 192 N 0.00 0.00 -0.44 7.04 3.45 -1.91 -2.98 116.42 121.58 3gdm h ASP 192 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gdm h ASP 192 Cb 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3gdm h ASP 192 CO 0.02 0.17 0.00 -0.62 -1.57 0.00 0.00 179.24 177.24 3gdm n GLU 193 N -3.29 2.46 -0.35 3.56 1.02 -0.88 -4.96 120.64 118.21 3gdm n GLU 193 Ca 0.01 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 3gdm n GLU 193 Cb 0.42 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3gdm n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gdm n GLY 194 N 1.28 0.81 3.78 0.62 0.00 -1.08 -5.08 105.19 105.52 3gdm n GLY 194 Ca 0.18 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3gdm n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdm s TYR 195 N -2.00 3.37 -0.55 1.61 1.51 0.14 -4.99 117.35 116.44 3gdm s TYR 195 Ca 0.00 0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.45 3gdm s TYR 195 Cb 0.00 -1.86 0.15 0.00 -0.11 0.00 0.00 41.96 40.14 3gdm s TYR 195 CO 0.00 0.60 0.33 0.34 -1.11 0.00 0.00 175.55 175.72 3gdm s ASP 196 N -0.96 4.10 0.11 2.29 2.15 -1.26 -3.14 116.67 119.96 3gdm s ASP 196 Ca 0.14 -3.19 -0.22 0.00 0.43 0.00 0.00 52.55 49.71 3gdm s ASP 196 Cb -0.12 -1.40 -0.07 0.00 -0.30 0.00 0.00 42.92 41.03 3gdm s ASP 196 CO 0.03 -0.19 0.66 0.26 -0.17 0.00 0.00 175.17 175.76 3gdm s TRP 197 N -0.48 3.85 -0.14 -5.34 0.51 -1.26 -4.90 118.94 111.18 3gdm s TRP 197 Ca 0.21 1.43 -0.25 0.00 -2.12 0.00 0.00 56.10 55.36 3gdm s TRP 197 Cb -0.17 -2.61 -0.02 0.00 -0.81 0.00 0.00 33.47 29.86 3gdm s TRP 197 CO -0.07 0.55 0.82 -0.51 -0.51 0.00 0.00 176.95 177.24 3gdm s LEU 198 N -1.11 4.21 -0.35 2.99 1.43 0.29 -4.95 118.68 121.20 3gdm s LEU 198 Ca 0.32 1.21 -0.09 0.00 -1.03 0.00 0.00 54.13 54.55 3gdm s LEU 198 Cb -0.21 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 42.81 3gdm s LEU 198 CO 0.22 -0.34 0.15 -0.63 0.23 0.00 0.00 176.35 175.98 3gdm s ILE 199 N 1.83 4.16 -0.22 -0.59 -1.09 -1.26 -1.71 121.20 122.32 3gdm s ILE 199 Ca 0.39 -0.97 -0.07 0.00 -2.23 0.00 0.00 60.65 57.78 3gdm s ILE 199 Cb -0.17 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3gdm s ILE 199 CO 0.15 -0.18 0.05 -0.04 -1.23 0.00 0.00 174.94 173.68 3gdm s MET 200 N 1.48 3.69 -0.19 2.79 -1.94 -0.88 -0.44 119.30 123.80 3gdm s MET 200 Ca 0.00 -0.47 -0.02 0.00 -1.71 0.00 0.00 55.69 53.49 3gdm s MET 200 Cb -0.19 -3.23 -0.00 0.00 2.01 0.00 0.00 34.83 33.42 3gdm s MET 200 CO 0.05 -0.06 -0.10 0.99 -0.01 0.00 0.00 175.02 175.89 3gdm s THR 201 N 1.24 2.96 0.71 2.05 2.01 0.00 -1.58 115.64 123.02 3gdm s THR 201 Ca 0.04 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.40 3gdm s THR 201 Cb -0.15 -2.30 0.12 0.00 0.01 0.00 0.00 72.50 70.19 3gdm s THR 201 CO 0.03 0.47 0.97 -2.16 -0.69 0.00 0.00 174.62 173.24 3gdm s PRO 202 N 1.21 1.73 -0.85 4.92 0.04 -1.26 -0.43 135.00 140.36 3gdm s PRO 202 Ca 0.02 -1.17 -0.01 0.00 0.04 0.00 0.00 61.00 59.88 3gdm s PRO 202 Cb -0.14 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3gdm s PRO 202 CO -0.04 -1.40 0.72 0.41 0.04 0.00 0.00 177.00 176.73 3gdm n GLY 203 N -2.78 -0.10 3.36 0.56 0.00 -1.25 -4.89 105.19 100.09 3gdm n GLY 203 Ca 0.15 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3gdm n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdm s VAL 204 N -3.24 2.49 0.33 1.61 1.01 -1.25 -2.94 120.40 118.40 3gdm s VAL 204 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3gdm s VAL 204 Cb -0.04 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3gdm s VAL 204 CO 0.50 0.58 0.39 -0.83 0.00 0.00 0.00 175.10 175.74 3gdm s GLY 205 N -0.43 1.73 -0.49 4.51 0.00 -1.26 -4.79 107.32 106.59 3gdm s GLY 205 Ca 0.05 -1.69 0.05 0.00 0.00 0.00 0.00 44.72 43.12 3gdm s GLY 205 CO 0.01 -1.16 1.15 1.04 0.00 0.00 0.00 173.10 174.14 3gdm n LEU 206 N -0.56 4.87 -2.18 0.66 4.77 -1.26 -2.65 117.00 120.66 3gdm n LEU 206 Ca 0.03 -5.27 -0.22 0.00 -0.03 0.00 0.00 56.01 50.52 3gdm n LEU 206 Cb 0.62 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3gdm n LEU 206 CO 0.30 2.23 -0.15 0.54 -1.33 0.00 0.00 177.39 178.98 3gdm n ARG 218 N -0.44 0.00 -1.68 3.23 1.74 -1.15 -4.97 116.66 113.39 3gdm n ARG 218 Ca 0.39 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.15 3gdm n ARG 218 Cb 0.59 -0.50 0.04 0.00 -1.02 0.00 0.00 32.46 31.57 3gdm n ARG 218 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gdm s THR 219 N -0.74 4.06 0.10 0.55 -4.23 -1.26 -4.31 115.64 109.81 3gdm s THR 219 Ca 0.31 0.72 -0.23 0.00 -1.18 0.00 0.00 61.69 61.30 3gdm s THR 219 Cb -0.37 -3.44 -0.13 0.00 1.34 0.00 0.00 72.50 69.90 3gdm s THR 219 CO 0.30 -0.83 1.73 0.58 -0.54 0.00 0.00 174.62 175.87 3gdm h VAL 220 N -0.49 0.95 -0.84 2.29 2.07 -1.88 -2.55 116.25 115.80 3gdm h VAL 220 Ca -0.44 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.15 3gdm h VAL 220 Cb 1.21 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 3gdm h VAL 220 CO 0.57 0.00 0.55 -0.78 0.02 0.00 0.00 177.57 177.93 3gdm h ASP 221 N -0.03 0.80 0.59 0.57 -0.00 -1.90 -1.71 116.42 114.74 3gdm h ASP 221 Ca 0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 57.03 57.02 3gdm h ASP 221 Cb 0.04 -0.16 0.01 0.00 -0.00 0.00 0.00 39.33 39.22 3gdm h ASP 221 CO -0.03 0.51 -0.28 -0.78 -0.00 0.00 0.00 179.24 178.66 3gdm h ASP 222 N 0.91 -0.67 -0.48 2.28 -0.00 -1.85 -2.08 116.42 114.53 3gdm h ASP 222 Ca 0.37 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.03 57.32 3gdm h ASP 222 Cb 0.26 0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.75 3gdm h ASP 222 CO -0.14 -0.41 0.04 -0.37 -0.00 0.00 0.00 179.24 178.37 3gdm h VAL 223 N -0.88 1.25 -0.43 2.25 -1.51 -1.30 -2.50 116.25 113.13 3gdm h VAL 223 Ca -0.08 -0.98 -0.06 0.00 -1.23 0.00 0.00 66.70 64.35 3gdm h VAL 223 Cb 0.64 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 3gdm h VAL 223 CO 0.13 0.34 0.01 0.58 -1.23 0.00 0.00 177.57 177.41 3gdm h VAL 224 N 0.68 1.22 0.00 7.19 2.07 -1.37 -1.46 116.25 124.57 3gdm h VAL 224 Ca 0.14 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3gdm h VAL 224 Cb 0.44 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3gdm h VAL 224 CO 0.02 0.32 0.00 -1.54 0.02 0.00 0.00 177.57 176.38 3gdm n SER 225 N -4.24 0.22 0.07 0.57 3.41 -0.78 -3.13 113.62 109.73 3gdm n SER 225 Ca 0.02 0.52 0.06 0.00 -0.26 0.00 0.00 58.87 59.22 3gdm n SER 225 Cb 0.27 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 3gdm n SER 225 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gdm n THR 226 N -1.71 0.84 0.00 6.66 -1.04 -0.69 -4.95 114.28 113.39 3gdm n THR 226 Ca 0.06 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 3gdm n THR 226 Cb 0.34 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 3gdm n THR 226 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gdm n GLY 227 N 1.28 -0.53 3.72 3.41 0.00 -0.96 -4.21 105.19 107.90 3gdm n GLY 227 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3gdm n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdm s SER 228 N -0.05 7.09 -0.08 1.61 0.01 -0.64 -4.63 113.70 117.01 3gdm s SER 228 Ca 0.00 2.09 0.10 0.00 1.31 0.00 0.00 55.95 59.45 3gdm s SER 228 Cb 0.00 -2.59 -0.24 0.00 0.21 0.00 0.00 66.02 63.40 3gdm s SER 228 CO 0.00 -0.42 0.51 0.47 0.41 0.00 0.00 173.24 174.21 3gdm n ASP 229 N 3.39 0.99 -3.99 2.44 8.00 0.41 -4.46 116.55 123.33 3gdm n ASP 229 Ca 0.07 0.31 -0.18 0.00 0.71 0.00 0.00 54.79 55.70 3gdm n ASP 229 Cb 0.46 -0.06 -0.15 0.00 -0.02 0.00 0.00 41.12 41.35 3gdm n ASP 229 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gdm s ILE 230 N -2.57 0.62 -0.19 0.53 1.01 -0.77 -4.79 121.20 115.05 3gdm s ILE 230 Ca -0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 3gdm s ILE 230 Cb 0.08 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 3gdm s ILE 230 CO 0.81 0.19 0.04 0.27 0.00 0.00 0.00 174.94 176.25 3gdm s ILE 231 N 0.03 4.57 -0.30 2.92 -4.36 -0.27 -0.82 121.20 122.97 3gdm s ILE 231 Ca -0.00 -0.11 -0.12 0.00 -0.26 0.00 0.00 60.65 60.16 3gdm s ILE 231 Cb -0.05 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.56 3gdm s ILE 231 CO -0.00 0.45 0.20 -0.63 0.24 0.00 0.00 174.94 175.20 3gdm s ILE 232 N 0.52 5.28 -0.06 8.37 1.01 0.43 -0.74 121.20 136.02 3gdm s ILE 232 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.76 3gdm s ILE 232 Cb -0.13 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 3gdm s ILE 232 CO 0.01 0.17 -0.22 -0.69 0.00 0.00 0.00 174.94 174.21 3gdm s VAL 233 N 1.74 1.83 0.00 2.92 1.01 -0.60 -3.75 120.40 123.56 3gdm s VAL 233 Ca 0.07 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3gdm s VAL 233 Cb -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3gdm s VAL 233 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3gdm n GLY 234 N 3.06 0.84 0.54 4.51 0.00 -1.26 -0.93 105.19 111.96 3gdm n GLY 234 Ca -0.18 0.00 0.37 0.00 0.00 0.00 0.00 46.02 46.21 3gdm n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdm h ARG 235 N 0.00 0.08 0.00 1.61 2.47 -2.00 0.11 114.38 116.65 3gdm h ARG 235 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3gdm h ARG 235 Cb 0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 3gdm h ARG 235 CO 0.00 0.05 0.01 0.41 0.56 0.00 0.00 179.97 181.00 3gdm n GLY 236 N -1.71 -0.44 0.00 0.04 0.00 -1.26 -0.95 105.19 100.87 3gdm n GLY 236 Ca 0.31 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.43 3gdm n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdm n LEU 237 N -1.44 0.50 0.00 0.99 4.77 0.38 -4.83 117.00 117.37 3gdm n LEU 237 Ca 0.00 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3gdm n LEU 237 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3gdm n LEU 237 CO 0.00 0.12 0.00 2.22 -1.33 0.00 0.00 177.39 178.40 3gdm n PHE 238 N -1.85 0.00 -1.05 -1.77 1.16 -0.70 -3.62 117.46 109.63 3gdm n PHE 238 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.30 3gdm n PHE 238 Cb 0.43 0.00 0.19 0.00 -1.61 0.00 0.00 39.48 38.50 3gdm n PHE 238 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdm s ALA 239 N -0.03 0.63 -1.90 1.98 0.00 -0.12 -3.41 121.76 118.90 3gdm s ALA 239 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3gdm s ALA 239 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3gdm s ALA 239 CO 0.00 -3.08 0.00 1.17 0.00 0.00 0.00 175.76 173.85 3gdm n LYS 240 N -4.35 -1.62 -1.18 0.00 4.81 -1.26 -1.75 118.16 112.82 3gdm n LYS 240 Ca 0.05 1.07 -0.06 0.00 -0.87 0.00 0.00 58.31 58.49 3gdm n LYS 240 Cb 0.57 -5.63 -0.03 0.00 0.02 0.00 0.00 35.03 29.96 3gdm n LYS 240 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gdm n GLY 241 N -0.77 0.80 3.77 3.14 0.00 -1.25 -5.00 105.19 105.88 3gdm n GLY 241 Ca -0.23 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 3gdm n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdm s ARG 242 N -2.11 2.36 -0.31 1.61 0.52 -0.72 -4.98 118.95 115.33 3gdm s ARG 242 Ca 0.00 1.23 -0.21 0.00 -0.52 0.00 0.00 55.73 56.23 3gdm s ARG 242 Cb 0.00 -1.91 -0.00 0.00 0.52 0.00 0.00 34.95 33.56 3gdm s ARG 242 CO 0.00 -1.57 0.69 0.34 0.02 0.00 0.00 175.30 174.78 3gdm s ASP 243 N -3.18 6.56 0.18 0.23 2.15 -1.26 -4.70 116.67 116.64 3gdm s ASP 243 Ca 0.63 0.51 -0.14 0.00 0.43 0.00 0.00 52.55 53.97 3gdm s ASP 243 Cb -0.18 -2.36 0.16 0.00 -0.30 0.00 0.00 42.92 40.24 3gdm s ASP 243 CO 0.53 -0.54 1.69 0.00 -0.17 0.00 0.00 175.17 176.68 3gdm h ALA 244 N 8.17 0.44 -0.19 3.66 0.00 -1.89 -0.52 119.26 128.94 3gdm h ALA 244 Ca -0.26 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3gdm h ALA 244 Cb 1.11 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3gdm h ALA 244 CO 0.83 -0.38 0.09 -0.22 0.00 0.00 0.00 179.25 179.57 3gdm h LYS 245 N 0.12 0.27 -0.32 0.00 3.64 -1.85 0.22 116.57 118.64 3gdm h LYS 245 Ca 0.23 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3gdm h LYS 245 Cb 0.33 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3gdm h LYS 245 CO -0.37 0.30 0.16 0.28 -2.27 0.00 0.00 179.45 177.54 3gdm h VAL 246 N 0.17 0.98 -0.09 2.00 2.07 -1.85 -2.02 116.25 117.52 3gdm h VAL 246 Ca 0.06 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 3gdm h VAL 246 Cb 0.12 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3gdm h VAL 246 CO -0.01 0.06 -0.52 -0.33 0.02 0.00 0.00 177.57 176.80 3gdm h GLU 247 N 0.33 0.24 -0.62 1.57 4.39 -0.99 -2.15 114.58 117.36 3gdm h GLU 247 Ca 0.14 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3gdm h GLU 247 Cb 0.05 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3gdm h GLU 247 CO -0.10 0.70 0.33 0.78 -1.16 0.00 0.00 179.01 179.56 3gdm h GLY 248 N 1.37 0.93 0.97 -3.84 0.00 -0.16 -1.51 103.07 100.82 3gdm h GLY 248 Ca 0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3gdm h GLY 248 CO 0.08 0.41 -0.13 -2.09 0.00 0.00 0.00 176.54 174.81 3gdm h GLU 249 N 0.84 0.74 -0.08 4.80 4.57 -1.26 -0.25 114.58 123.95 3gdm h GLU 249 Ca 0.22 -0.30 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3gdm h GLU 249 Cb 0.06 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 3gdm h GLU 249 CO -0.03 0.91 -0.31 0.00 -1.18 0.00 0.00 179.01 178.39 3gdm h ARG 250 N 0.54 -0.40 -0.39 1.92 3.08 -1.04 0.34 114.38 118.43 3gdm h ARG 250 Ca 0.09 0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 3gdm h ARG 250 Cb 0.66 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3gdm h ARG 250 CO 0.04 -0.27 -0.33 1.88 -1.07 0.00 0.00 179.97 180.23 3gdm h TYR 251 N -0.42 1.04 -0.18 3.04 -1.99 -1.27 -1.12 116.97 116.07 3gdm h TYR 251 Ca 0.08 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.53 3gdm h TYR 251 Cb 0.54 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 3gdm h TYR 251 CO -0.37 1.09 0.12 -0.09 -0.00 0.00 0.00 178.16 178.90 3gdm h ARG 252 N 0.74 0.24 -0.18 4.88 2.43 -0.66 0.26 114.38 122.09 3gdm h ARG 252 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3gdm h ARG 252 Cb 0.90 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3gdm h ARG 252 CO 0.08 0.18 0.11 -0.22 -1.51 0.00 0.00 179.97 178.61 3gdm h LYS 253 N 0.24 0.22 -0.54 0.20 1.63 -0.28 0.97 116.57 119.02 3gdm h LYS 253 Ca 0.07 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3gdm h LYS 253 Cb -0.01 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 3gdm h LYS 253 CO -0.01 0.15 0.35 0.00 -3.45 0.00 0.00 179.45 176.48 3gdm h ALA 254 N 1.07 0.68 -0.33 5.00 0.00 -0.87 -1.21 119.26 123.60 3gdm h ALA 254 Ca 0.07 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3gdm h ALA 254 Cb -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3gdm h ALA 254 CO -0.02 0.14 -0.39 0.78 0.00 0.00 0.00 179.25 179.76 3gdm h GLY 255 N 0.73 0.93 0.79 0.00 0.00 -0.23 -2.44 103.07 102.86 3gdm h GLY 255 Ca 0.20 -0.99 -0.05 0.00 0.00 0.00 0.00 47.33 46.49 3gdm h GLY 255 CO -0.04 0.89 -0.06 -0.25 0.00 0.00 0.00 176.54 177.08 3gdm h TRP 256 N 0.64 0.43 -0.62 5.60 2.91 -0.71 -1.90 115.95 122.31 3gdm h TRP 256 Ca 0.05 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 3gdm h TRP 256 Cb 0.99 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.50 3gdm h TRP 256 CO 0.07 0.64 0.32 0.93 -1.03 0.00 0.00 178.44 179.37 3gdm h GLU 257 N 0.09 0.85 -0.30 2.65 5.08 -1.28 0.39 114.58 122.06 3gdm h GLU 257 Ca 0.05 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3gdm h GLU 257 Cb 0.51 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3gdm h GLU 257 CO 0.02 0.64 -0.18 0.00 -1.00 0.00 0.00 179.01 178.49 3gdm h ALA 258 N 1.49 1.12 -0.31 3.43 0.00 -1.34 -1.63 119.26 122.03 3gdm h ALA 258 Ca 0.22 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3gdm h ALA 258 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gdm h ALA 258 CO -0.03 0.55 -0.09 -0.92 0.00 0.00 0.00 179.25 178.76 3gdm h TYR 259 N 0.50 0.68 -0.77 0.00 3.20 -0.37 -2.20 116.97 118.01 3gdm h TYR 259 Ca 0.08 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 3gdm h TYR 259 Cb 0.60 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3gdm h TYR 259 CO 0.02 0.79 0.38 -0.07 -1.64 0.00 0.00 178.16 177.64 3gdm h LEU 260 N 0.37 0.99 -1.37 2.82 3.38 -0.72 -1.64 115.31 119.14 3gdm h LEU 260 Ca 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gdm h LEU 260 Cb 0.58 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gdm h LEU 260 CO 0.03 0.83 -0.01 0.03 0.09 0.00 0.00 178.44 179.41 3gdm h ARG 261 N 1.09 0.00 0.00 1.13 3.08 -1.18 -3.51 114.38 114.99 3gdm h ARG 261 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3gdm h ARG 261 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3gdm h ARG 261 CO -0.04 0.01 0.00 -2.13 -1.07 0.00 0.00 179.97 176.75