#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdt s ALA 4 N 0.00 1.90 0.79 7.82 0.00 -1.26 -0.41 121.76 130.60 3gdt s ALA 4 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 3gdt s ALA 4 Cb 0.00 -3.01 0.07 0.00 0.00 0.00 0.00 23.12 20.17 3gdt s ALA 4 CO 0.00 -2.21 1.11 0.95 0.00 0.00 0.00 175.76 175.61 3gdt s THR 5 N -3.33 2.94 0.25 0.00 -4.23 -1.26 -4.81 115.64 105.19 3gdt s THR 5 Ca 0.64 0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 61.39 3gdt s THR 5 Cb -0.14 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 70.82 3gdt s THR 5 CO 0.53 -0.40 1.91 1.88 -0.54 0.00 0.00 174.62 178.00 3gdt h TYR 6 N -1.03 1.24 -0.49 3.99 0.05 -1.96 -0.01 116.97 118.76 3gdt h TYR 6 Ca -0.47 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3gdt h TYR 6 Cb 1.28 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 3gdt h TYR 6 CO 0.44 0.80 0.31 -0.22 -1.05 0.00 0.00 178.16 178.44 3gdt h LYS 7 N 1.32 0.65 -0.50 4.88 3.64 -1.93 -0.78 116.57 123.86 3gdt h LYS 7 Ca 0.35 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 3gdt h LYS 7 Cb -0.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 3gdt h LYS 7 CO -0.07 0.45 0.07 0.93 -2.27 0.00 0.00 179.45 178.55 3gdt h GLU 8 N 0.65 0.83 -0.19 1.90 5.08 -1.79 -2.88 114.58 118.19 3gdt h GLU 8 Ca 0.18 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3gdt h GLU 8 Cb -0.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3gdt h GLU 8 CO -0.04 0.84 -0.18 0.00 -1.00 0.00 0.00 179.01 178.64 3gdt h ARG 9 N 0.71 0.32 -0.19 2.33 3.08 -0.73 -2.14 114.38 117.76 3gdt h ARG 9 Ca 0.15 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3gdt h ARG 9 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3gdt h ARG 9 CO 0.01 0.49 -0.18 0.00 -1.07 0.00 0.00 179.97 179.22 3gdt h ALA 10 N 1.53 1.34 0.00 0.04 0.00 -0.94 0.24 119.26 121.47 3gdt h ALA 10 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gdt h ALA 10 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gdt h ALA 10 CO 0.03 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3gdt h ALA 11 N 1.51 1.00 0.00 0.00 0.00 -1.19 -3.37 119.26 117.22 3gdt h ALA 11 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gdt h ALA 11 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gdt h ALA 11 CO 0.03 0.00 -1.23 0.25 0.00 0.00 0.00 179.25 178.30 3gdt n THR 12 N -3.02 0.00 -1.72 0.00 -2.24 -1.04 -5.05 114.28 101.21 3gdt n THR 12 Ca 0.03 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3gdt n THR 12 Cb 0.47 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 3gdt n THR 12 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3gdt n HIS 13 N -1.68 2.55 0.23 4.78 -0.00 0.05 -4.90 115.22 116.26 3gdt n HIS 13 Ca -0.01 0.43 0.12 0.00 0.46 0.00 0.00 57.72 58.71 3gdt n HIS 13 Cb 0.14 -2.50 0.49 0.00 -0.12 0.00 0.00 29.99 28.01 3gdt n HIS 13 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3gdt h PRO 14 N 3.58 0.00 -5.30 1.57 0.13 -1.90 -3.44 132.00 126.64 3gdt h PRO 14 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 3gdt h PRO 14 Cb 1.26 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 3gdt h PRO 14 CO 0.70 0.17 -0.17 0.45 -0.23 0.00 0.00 178.00 178.92 3gdt s SER 15 N -6.08 6.36 0.42 1.44 0.15 -1.26 -4.87 113.70 109.86 3gdt s SER 15 Ca 0.01 0.43 0.08 0.00 0.70 0.00 0.00 55.95 57.17 3gdt s SER 15 Cb 0.10 -2.24 0.89 0.00 -1.71 0.00 0.00 66.02 63.06 3gdt s SER 15 CO 0.62 -0.17 2.06 -0.65 1.20 0.00 0.00 173.24 176.29 3gdt h PRO 16 N 7.86 0.51 -0.32 5.44 0.11 -1.85 -0.60 132.00 143.15 3gdt h PRO 16 Ca -0.32 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.58 3gdt h PRO 16 Cb 1.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gdt h PRO 16 CO 0.69 0.34 -0.49 0.28 -0.21 0.00 0.00 178.00 178.60 3gdt h VAL 17 N 0.53 1.27 -0.43 3.15 2.07 -1.88 -1.01 116.25 119.94 3gdt h VAL 17 Ca 0.16 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 3gdt h VAL 17 Cb -0.00 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3gdt h VAL 17 CO -0.04 0.55 0.03 0.00 0.02 0.00 0.00 177.57 178.13 3gdt h ALA 18 N 0.74 0.58 -0.83 1.67 0.00 -1.81 -0.75 119.26 118.86 3gdt h ALA 18 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3gdt h ALA 18 Cb 1.09 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3gdt h ALA 18 CO 0.11 0.35 0.39 0.00 0.00 0.00 0.00 179.25 180.10 3gdt h ALA 19 N 0.92 1.13 -0.68 0.00 0.00 -1.05 0.90 119.26 120.48 3gdt h ALA 19 Ca 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gdt h ALA 19 Cb 0.45 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3gdt h ALA 19 CO 0.02 0.65 0.26 -0.22 0.00 0.00 0.00 179.25 179.96 3gdt h LYS 20 N 1.18 1.03 -0.19 0.00 3.64 -0.89 -1.23 116.57 120.10 3gdt h LYS 20 Ca 0.28 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3gdt h LYS 20 Cb 0.12 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3gdt h LYS 20 CO -0.04 0.87 -0.08 1.25 -2.27 0.00 0.00 179.45 179.18 3gdt h LEU 21 N 0.98 0.40 -1.25 5.20 5.85 -0.57 -2.08 115.31 123.84 3gdt h LEU 21 Ca 0.23 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.58 3gdt h LEU 21 Cb 0.23 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3gdt h LEU 21 CO -0.02 0.71 0.52 -0.26 -0.34 0.00 0.00 178.44 179.06 3gdt h PHE 22 N 0.09 0.94 -0.43 1.25 0.04 -0.71 -1.41 116.94 116.73 3gdt h PHE 22 Ca 0.05 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 3gdt h PHE 22 Cb 0.55 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3gdt h PHE 22 CO 0.06 0.55 -0.06 -0.97 -0.60 0.00 0.00 178.31 177.29 3gdt h ASN 23 N 0.98 0.79 -0.61 2.17 -1.24 -1.08 -1.57 115.58 115.03 3gdt h ASN 23 Ca 0.31 -0.34 0.02 0.00 0.71 0.00 0.00 56.30 57.00 3gdt h ASN 23 Cb 0.03 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 38.83 3gdt h ASN 23 CO -0.09 0.94 0.38 0.40 -1.29 0.00 0.00 177.43 177.77 3gdt h ILE 24 N 0.62 1.09 -0.32 2.57 2.04 -0.77 0.15 117.51 122.89 3gdt h ILE 24 Ca 0.11 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3gdt h ILE 24 Cb 0.57 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3gdt h ILE 24 CO 0.03 0.14 0.19 0.24 0.00 0.00 0.00 178.15 178.75 3gdt h MET 25 N 0.75 0.44 -0.05 2.37 2.86 -1.09 -0.07 114.93 120.14 3gdt h MET 25 Ca 0.24 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3gdt h MET 25 Cb -0.01 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3gdt h MET 25 CO -0.09 0.36 0.02 1.25 1.06 0.00 0.00 176.91 179.51 3gdt h HIS 26 N 0.41 0.07 -0.59 -0.22 -0.00 -0.93 -1.20 115.15 112.69 3gdt h HIS 26 Ca 0.11 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.40 3gdt h HIS 26 Cb 0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3gdt h HIS 26 CO -0.04 0.20 0.07 0.93 -0.00 0.00 0.00 177.93 179.10 3gdt h GLU 27 N -0.07 0.99 -0.10 5.26 5.08 -0.83 -3.13 114.58 121.78 3gdt h GLU 27 Ca 0.02 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3gdt h GLU 27 Cb 0.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3gdt h GLU 27 CO -0.00 0.95 0.00 1.63 -1.00 0.00 0.00 179.01 180.59 3gdt n LYS 28 N -4.29 1.93 -3.78 2.33 5.02 -0.05 -4.96 118.16 114.36 3gdt n LYS 28 Ca 0.03 -1.37 -0.25 0.00 -2.02 0.00 0.00 58.31 54.70 3gdt n LYS 28 Cb 0.29 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 3gdt n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gdt n GLN 29 N 0.63 -3.52 -3.78 1.97 6.02 -0.50 -4.99 117.38 113.21 3gdt n GLN 29 Ca 0.17 0.51 -0.13 0.00 -0.01 0.00 0.00 57.00 57.55 3gdt n GLN 29 Cb 0.43 -4.75 -0.11 0.00 1.02 0.00 0.00 30.24 26.83 3gdt n GLN 29 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gdt s THR 30 N -3.74 0.00 -0.11 5.09 -1.32 -0.94 -4.78 115.64 109.85 3gdt s THR 30 Ca 0.10 -0.01 0.14 0.00 -1.21 0.00 0.00 61.69 60.71 3gdt s THR 30 Cb -0.03 -0.40 0.28 0.00 -1.51 0.00 0.00 72.50 70.84 3gdt s THR 30 CO 0.85 -0.01 1.14 -0.46 -2.21 0.00 0.00 174.62 173.93 3gdt n ASN 31 N 2.90 1.53 -4.74 8.08 0.23 -1.26 -4.31 115.26 117.69 3gdt n ASN 31 Ca -0.13 -2.93 -0.38 0.00 -0.53 0.00 0.00 54.58 50.61 3gdt n ASN 31 Cb 0.58 -0.39 -0.06 0.00 -2.08 0.00 0.00 39.78 37.83 3gdt n ASN 31 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3gdt s LEU 32 N -2.01 4.31 -0.16 -4.53 2.96 -1.26 -1.27 118.68 116.71 3gdt s LEU 32 Ca 0.27 0.84 -0.00 0.00 -0.22 0.00 0.00 54.13 55.02 3gdt s LEU 32 Cb 0.26 -2.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 3gdt s LEU 32 CO -0.03 0.05 -0.14 0.00 -1.32 0.00 0.00 176.35 174.91 3gdt s ALA 34 N 0.85 3.57 -0.45 0.00 0.00 -0.72 -1.36 121.76 123.64 3gdt s ALA 34 Ca -0.04 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 3gdt s ALA 34 Cb -0.15 -2.72 0.06 0.00 0.00 0.00 0.00 23.12 20.31 3gdt s ALA 34 CO -0.00 -0.57 0.35 0.45 0.00 0.00 0.00 175.76 175.99 3gdt s SER 35 N 1.44 6.06 -0.28 0.00 0.15 0.26 -0.83 113.70 120.50 3gdt s SER 35 Ca 0.17 -1.27 -0.07 0.00 0.70 0.00 0.00 55.95 55.48 3gdt s SER 35 Cb -0.15 -2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 3gdt s SER 35 CO 0.09 -0.59 0.09 -0.76 1.20 0.00 0.00 173.24 173.27 3gdt s LEU 36 N 1.62 3.71 -0.57 3.45 1.43 -0.77 -4.26 118.68 123.28 3gdt s LEU 36 Ca 0.04 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3gdt s LEU 36 Cb -0.23 -1.91 0.14 0.00 0.03 0.00 0.00 46.19 44.22 3gdt s LEU 36 CO 0.07 -0.13 0.34 1.51 0.23 0.00 0.00 176.35 178.37 3gdt s ASP 37 N 1.56 4.67 0.25 2.29 -4.77 -1.26 -3.77 116.67 115.64 3gdt s ASP 37 Ca 0.05 -3.00 0.10 0.00 -3.30 0.00 0.00 52.55 46.39 3gdt s ASP 37 Cb -0.16 -1.72 -0.05 0.00 -1.09 0.00 0.00 42.92 39.90 3gdt s ASP 37 CO 0.03 -0.27 -0.17 0.68 0.70 0.00 0.00 175.17 176.14 3gdt s VAL 38 N -0.28 2.13 0.11 2.11 -7.23 -1.26 -5.07 120.40 110.91 3gdt s VAL 38 Ca 0.17 -2.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 3gdt s VAL 38 Cb -0.23 -2.19 -0.22 0.00 0.56 0.00 0.00 36.38 34.30 3gdt s VAL 38 CO -0.02 -0.49 1.26 -0.09 -0.31 0.00 0.00 175.10 175.46 3gdt h ARG 39 N 2.40 0.07 -6.84 4.82 2.43 -1.97 -3.38 114.38 111.91 3gdt h ARG 39 Ca -0.39 -0.12 -0.68 0.00 -0.81 0.00 0.00 59.98 57.98 3gdt h ARG 39 Cb 1.24 0.04 -0.22 0.00 -0.42 0.00 0.00 29.97 30.62 3gdt h ARG 39 CO 0.61 1.04 -0.86 0.95 -1.51 0.00 0.00 179.97 180.20 3gdt s THR 40 N -2.74 2.24 0.26 0.20 -4.23 -1.26 -0.74 115.64 109.37 3gdt s THR 40 Ca -0.00 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 3gdt s THR 40 Cb 0.09 -1.99 0.26 0.00 1.34 0.00 0.00 72.50 72.21 3gdt s THR 40 CO 0.83 0.06 1.92 0.74 -0.54 0.00 0.00 174.62 177.64 3gdt h THR 41 N 3.81 1.21 -0.28 3.99 2.02 -1.91 -1.72 112.91 120.04 3gdt h THR 41 Ca -0.50 -0.44 0.05 0.00 0.77 0.00 0.00 66.41 66.28 3gdt h THR 41 Cb 1.17 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 3gdt h THR 41 CO 0.40 0.24 -0.01 0.50 0.37 0.00 0.00 175.52 177.02 3gdt h LYS 42 N 1.30 0.07 -0.47 6.66 3.64 -1.95 0.13 116.57 125.95 3gdt h LYS 42 Ca 0.38 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.68 3gdt h LYS 42 Cb -0.07 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3gdt h LYS 42 CO -0.10 0.05 -0.03 0.93 -2.27 0.00 0.00 179.45 178.02 3gdt h GLU 43 N 0.07 0.80 0.06 1.90 5.08 -1.88 -1.87 114.58 118.74 3gdt h GLU 43 Ca 0.13 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3gdt h GLU 43 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3gdt h GLU 43 CO -0.23 0.83 -0.03 1.25 -1.00 0.00 0.00 179.01 179.83 3gdt h LEU 44 N 0.74 -0.07 -1.29 1.33 5.85 -0.50 -1.92 115.31 119.46 3gdt h LEU 44 Ca 0.14 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3gdt h LEU 44 Cb 0.50 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3gdt h LEU 44 CO 0.03 0.09 0.05 -0.07 -0.34 0.00 0.00 178.44 178.20 3gdt h LEU 45 N -0.23 0.49 -0.02 2.25 3.38 -0.69 -0.54 115.31 119.96 3gdt h LEU 45 Ca -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3gdt h LEU 45 Cb 0.20 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3gdt h LEU 45 CO 0.01 0.53 0.01 -0.08 0.09 0.00 0.00 178.44 179.00 3gdt h GLU 46 N 0.52 0.03 -0.56 1.13 4.81 -1.16 -1.43 114.58 117.91 3gdt h GLU 46 Ca 0.12 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3gdt h GLU 46 Cb 0.26 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3gdt h GLU 46 CO 0.00 0.11 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.31 3gdt h LEU 47 N -0.06 0.95 -0.60 1.64 3.38 -0.96 -2.74 115.31 116.91 3gdt h LEU 47 Ca 0.01 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3gdt h LEU 47 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3gdt h LEU 47 CO -0.00 1.01 0.07 0.58 0.09 0.00 0.00 178.44 180.19 3gdt h VAL 48 N 0.89 1.26 -0.74 1.22 2.07 -1.00 -0.51 116.25 119.43 3gdt h VAL 48 Ca 0.16 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3gdt h VAL 48 Cb 0.54 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3gdt h VAL 48 CO 0.03 0.38 0.47 -0.08 0.02 0.00 0.00 177.57 178.39 3gdt h GLU 49 N 0.91 0.87 -0.08 1.57 4.57 -1.14 0.45 114.58 121.73 3gdt h GLU 49 Ca 0.18 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.14 3gdt h GLU 49 Cb 0.46 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3gdt h GLU 49 CO 0.02 0.58 -0.65 0.00 -1.18 0.00 0.00 179.01 177.77 3gdt h ALA 50 N 1.32 0.73 0.00 2.92 0.00 -1.18 -3.30 119.26 119.75 3gdt h ALA 50 Ca 0.30 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gdt h ALA 50 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gdt h ALA 50 CO -0.12 0.75 -1.29 1.28 0.00 0.00 0.00 179.25 179.87 3gdt n LEU 51 N -3.86 0.60 -0.36 0.00 4.77 -0.23 -4.44 117.00 113.47 3gdt n LEU 51 Ca -0.03 0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 3gdt n LEU 51 Cb 0.66 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3gdt n LEU 51 CO 0.46 -0.12 0.50 0.61 -1.33 0.00 0.00 177.39 177.51 3gdt n GLY 52 N 1.21 -2.05 0.32 -0.72 0.00 0.15 -0.72 105.19 103.39 3gdt n GLY 52 Ca -0.01 1.05 0.16 0.00 0.00 0.00 0.00 46.02 47.21 3gdt n GLY 52 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gdt h PRO 53 N 0.00 0.00 -0.03 1.61 0.11 -1.82 -3.06 132.00 128.81 3gdt h PRO 53 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3gdt h PRO 53 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3gdt h PRO 53 CO -0.89 0.00 -0.01 1.63 -0.21 0.00 0.00 178.00 178.52 3gdt n LYS 54 N -3.98 1.90 -4.40 1.05 4.76 0.11 -5.00 118.16 112.59 3gdt n LYS 54 Ca 0.01 -1.73 -0.24 0.00 -2.87 0.00 0.00 58.31 53.47 3gdt n LYS 54 Cb 0.27 -1.40 -0.09 0.00 -1.84 0.00 0.00 35.03 31.96 3gdt n LYS 54 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3gdt s ILE 55 N -1.75 2.81 -0.14 -0.18 -4.36 -1.09 -4.60 121.20 111.88 3gdt s ILE 55 Ca 0.24 -2.16 0.15 0.00 -0.26 0.00 0.00 60.65 58.62 3gdt s ILE 55 Cb 0.17 -2.47 -0.22 0.00 1.25 0.00 0.00 42.46 41.20 3gdt s ILE 55 CO 0.27 -0.34 0.37 0.00 0.24 0.00 0.00 174.94 175.48 3gdt s LEU 57 N -3.78 0.24 -0.18 0.00 2.96 -1.23 -1.70 118.68 114.99 3gdt s LEU 57 Ca -0.03 0.91 -0.01 0.00 -0.22 0.00 0.00 54.13 54.77 3gdt s LEU 57 Cb 0.10 1.59 -0.00 0.00 0.50 0.00 0.00 46.19 48.37 3gdt s LEU 57 CO 0.61 -0.17 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.14 3gdt s LEU 58 N 0.20 2.64 -0.37 -0.68 2.96 -0.11 -1.76 118.68 121.56 3gdt s LEU 58 Ca -0.00 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 53.32 3gdt s LEU 58 Cb -0.03 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 3gdt s LEU 58 CO 0.01 0.04 0.32 -0.75 -1.32 0.00 0.00 176.35 174.64 3gdt s LYS 59 N 1.12 3.34 0.48 1.98 2.20 -0.01 -0.61 119.74 128.24 3gdt s LYS 59 Ca 0.01 -0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 3gdt s LYS 59 Cb -0.14 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.30 3gdt s LYS 59 CO -0.03 -0.59 0.74 0.95 -0.36 0.00 0.00 175.35 176.05 3gdt s THR 60 N 1.86 4.19 -0.42 3.43 -4.23 0.05 -1.85 115.64 118.66 3gdt s THR 60 Ca 0.08 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 3gdt s THR 60 Cb -0.17 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.33 3gdt s THR 60 CO 0.11 -0.48 0.53 1.41 -0.54 0.00 0.00 174.62 175.65 3gdt n HIS 61 N -2.21 0.03 0.27 3.99 8.25 -1.25 -0.92 115.22 123.39 3gdt n HIS 61 Ca 0.01 -3.61 0.12 0.00 -0.26 0.00 0.00 57.72 53.98 3gdt n HIS 61 Cb 0.57 -0.33 0.76 0.00 1.12 0.00 0.00 29.99 32.11 3gdt n HIS 61 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3gdt h VAL 62 N 2.32 0.70 0.00 1.59 -1.51 -1.96 -2.91 116.25 114.48 3gdt h VAL 62 Ca 0.10 -0.25 -0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3gdt h VAL 62 Cb 0.86 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3gdt h VAL 62 CO 0.49 0.06 -0.00 0.44 -1.23 0.00 0.00 177.57 177.34 3gdt h ASP 63 N 0.00 0.00 -0.02 4.19 3.32 -1.98 -2.49 116.42 119.44 3gdt h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gdt h ASP 63 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3gdt h ASP 63 CO 0.01 0.00 -0.23 2.30 -1.72 0.00 0.00 179.24 179.60 3gdt n ILE 64 N -3.09 0.00 -2.33 0.35 -5.35 -1.10 -4.93 119.36 102.91 3gdt n ILE 64 Ca -0.01 -0.38 -0.40 0.00 -0.27 0.00 0.00 62.75 61.69 3gdt n ILE 64 Cb 0.22 1.37 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 3gdt n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gdt s LEU 65 N -2.23 4.46 0.10 7.28 1.43 -0.94 -4.58 118.68 124.21 3gdt s LEU 65 Ca 0.24 2.42 0.23 0.00 -1.03 0.00 0.00 54.13 55.98 3gdt s LEU 65 Cb 0.19 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 3gdt s LEU 65 CO 0.43 -0.34 0.93 0.35 0.23 0.00 0.00 176.35 177.95 3gdt n THR 66 N 0.91 0.33 -2.49 5.49 -2.24 0.08 -4.45 114.28 111.91 3gdt n THR 66 Ca -0.00 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 3gdt n THR 66 Cb 0.44 -0.07 0.03 0.00 -2.10 0.00 0.00 70.33 68.63 3gdt n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gdt n ASP 67 N -2.32 3.06 -4.77 3.42 5.68 -1.26 -5.09 116.55 115.28 3gdt n ASP 67 Ca -0.00 -2.88 -0.40 0.00 -0.50 0.00 0.00 54.79 51.00 3gdt n ASP 67 Cb 0.51 -0.43 -0.02 0.00 -1.14 0.00 0.00 41.12 40.03 3gdt n ASP 67 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3gdt s PHE 68 N -3.63 3.12 -0.02 2.11 5.36 -1.26 -4.74 117.98 118.92 3gdt s PHE 68 Ca 0.38 1.48 -0.30 0.00 -0.96 0.00 0.00 56.93 57.53 3gdt s PHE 68 Cb 0.38 -3.59 0.07 0.00 -0.34 0.00 0.00 43.02 39.54 3gdt s PHE 68 CO -0.02 -1.60 0.68 -1.54 -1.46 0.00 0.00 175.22 171.28 3gdt s SER 69 N -0.63 -0.63 0.13 6.13 1.04 -1.26 -4.97 113.70 113.51 3gdt s SER 69 Ca 0.50 0.58 -0.15 0.00 0.48 0.00 0.00 55.95 57.36 3gdt s SER 69 Cb -0.37 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 3gdt s SER 69 CO 0.49 -0.66 1.62 0.24 0.98 0.00 0.00 173.24 175.92 3gdt h MET 70 N 2.81 0.70 -0.19 4.02 2.86 -1.96 0.15 114.93 123.33 3gdt h MET 70 Ca -0.28 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.04 3gdt h MET 70 Cb 1.17 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3gdt h MET 70 CO 0.38 0.73 -0.43 0.93 1.06 0.00 0.00 176.91 179.58 3gdt h GLU 71 N 0.57 0.62 0.00 1.72 4.39 -1.97 -0.18 114.58 119.73 3gdt h GLU 71 Ca 0.13 -0.42 -0.16 0.00 0.34 0.00 0.00 59.36 59.25 3gdt h GLU 71 Cb 0.36 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 3gdt h GLU 71 CO 0.01 1.04 -1.23 0.78 -1.16 0.00 0.00 179.01 178.44 3gdt h GLY 72 N 0.29 0.00 0.00 -3.84 0.00 -1.94 -3.38 103.07 94.21 3gdt h GLY 72 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gdt h GLY 72 CO 0.09 0.00 -0.44 2.41 0.00 0.00 0.00 176.54 178.61 3gdt n THR 73 N -2.98 1.02 -0.13 4.70 -1.04 0.50 -4.61 114.28 111.73 3gdt n THR 73 Ca -0.07 0.26 -0.08 0.00 -2.04 0.00 0.00 64.05 62.12 3gdt n THR 73 Cb 0.84 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 3gdt n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3gdt h VAL 74 N -0.44 1.12 0.28 12.58 2.07 -1.34 -1.95 116.25 128.57 3gdt h VAL 74 Ca 0.00 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3gdt h VAL 74 Cb 0.44 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3gdt h VAL 74 CO 0.00 0.12 -0.38 0.50 0.02 0.00 0.00 177.57 177.83 3gdt h LYS 75 N 0.56 -0.68 0.00 1.57 3.64 -1.20 0.13 116.57 120.57 3gdt h LYS 75 Ca 0.15 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3gdt h LYS 75 Cb -0.03 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3gdt h LYS 75 CO -0.03 -0.46 -0.27 -1.00 -2.27 0.00 0.00 179.45 175.42 3gdt h PRO 76 N -0.71 0.00 -0.32 1.90 0.13 -1.76 -1.89 132.00 129.34 3gdt h PRO 76 Ca -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3gdt h PRO 76 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 3gdt h PRO 76 CO -0.12 0.27 -0.10 1.25 -0.23 0.00 0.00 178.00 179.07 3gdt h LEU 77 N 0.00 0.65 -0.99 1.56 5.85 -0.81 -1.21 115.31 120.35 3gdt h LEU 77 Ca -0.00 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 3gdt h LEU 77 Cb 0.51 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3gdt h LEU 77 CO 0.04 0.87 0.13 0.50 -0.34 0.00 0.00 178.44 179.64 3gdt h LYS 78 N 0.41 0.86 -0.71 1.25 1.63 -0.49 -0.36 116.57 119.16 3gdt h LYS 78 Ca 0.08 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.66 3gdt h LYS 78 Cb 0.60 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 3gdt h LYS 78 CO 0.04 0.77 0.29 0.00 -3.45 0.00 0.00 179.45 177.10 3gdt h ALA 79 N 1.32 0.92 -0.32 5.00 0.00 -1.09 -1.17 119.26 123.92 3gdt h ALA 79 Ca 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3gdt h ALA 79 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gdt h ALA 79 CO -0.00 0.53 -0.30 -0.07 0.00 0.00 0.00 179.25 179.42 3gdt h LEU 80 N 1.01 0.70 -0.68 0.00 3.38 -0.72 0.68 115.31 119.68 3gdt h LEU 80 Ca 0.24 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gdt h LEU 80 Cb 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3gdt h LEU 80 CO -0.02 0.95 0.42 -1.28 0.09 0.00 0.00 178.44 178.61 3gdt h SER 81 N 0.58 0.80 -0.16 -0.43 0.87 -0.63 -0.24 113.55 114.34 3gdt h SER 81 Ca 0.07 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.43 3gdt h SER 81 Cb 0.80 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3gdt h SER 81 CO 0.07 0.61 -0.51 0.00 -0.53 0.00 0.00 176.83 176.47 3gdt h ALA 82 N 1.22 0.28 -0.06 6.23 0.00 -0.97 0.02 119.26 125.97 3gdt h ALA 82 Ca 0.25 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gdt h ALA 82 Cb -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gdt h ALA 82 CO -0.05 0.46 0.03 -0.22 0.00 0.00 0.00 179.25 179.47 3gdt h LYS 83 N 0.29 0.09 -0.01 0.00 3.64 -0.64 -3.26 116.57 116.68 3gdt h LYS 83 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3gdt h LYS 83 Cb 1.13 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3gdt h LYS 83 CO 0.11 0.22 -0.34 0.66 -2.27 0.00 0.00 179.45 177.83 3gdt n TYR 84 N -4.96 0.00 -2.92 1.91 4.01 -0.12 -5.03 117.16 110.05 3gdt n TYR 84 Ca -0.06 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.63 3gdt n TYR 84 Cb 0.11 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.09 3gdt n TYR 84 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3gdt n ASN 85 N -0.22 -7.83 -3.72 7.72 5.15 -0.03 -4.64 115.26 111.69 3gdt n ASN 85 Ca 0.11 0.27 -0.10 0.00 -0.60 0.00 0.00 54.58 54.27 3gdt n ASN 85 Cb 0.42 -5.32 -0.06 0.00 -0.53 0.00 0.00 39.78 34.29 3gdt n ASN 85 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3gdt s PHE 86 N -2.77 -0.06 0.31 1.20 -0.12 -1.04 -4.83 117.98 110.67 3gdt s PHE 86 Ca 0.14 -0.30 0.06 0.00 -0.05 0.00 0.00 56.93 56.78 3gdt s PHE 86 Cb -0.04 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.47 3gdt s PHE 86 CO 0.75 -0.64 0.45 -0.51 -0.05 0.00 0.00 175.22 175.23 3gdt s LEU 87 N -2.82 4.05 -0.15 -1.99 1.43 -0.69 -4.71 118.68 113.80 3gdt s LEU 87 Ca 0.04 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 3gdt s LEU 87 Cb 0.03 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3gdt s LEU 87 CO -0.12 -0.34 0.00 -0.76 0.23 0.00 0.00 176.35 175.36 3gdt s LEU 88 N -4.14 3.50 -0.22 1.79 1.43 -1.26 -0.93 118.68 118.84 3gdt s LEU 88 Ca 0.42 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 3gdt s LEU 88 Cb -0.09 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.34 3gdt s LEU 88 CO 0.31 0.21 -0.01 0.12 0.23 0.00 0.00 176.35 177.21 3gdt s PHE 89 N 0.15 1.79 0.06 0.29 5.36 0.22 -1.42 117.98 124.43 3gdt s PHE 89 Ca 0.01 -1.38 -0.23 0.00 -0.96 0.00 0.00 56.93 54.37 3gdt s PHE 89 Cb -0.13 -1.36 -0.06 0.00 -0.34 0.00 0.00 43.02 41.13 3gdt s PHE 89 CO 0.02 -0.71 0.68 -2.00 -1.46 0.00 0.00 175.22 171.75 3gdt s GLU 90 N 1.60 4.41 0.24 10.12 2.56 -1.03 -0.77 118.70 135.82 3gdt s GLU 90 Ca -0.03 0.93 -0.06 0.00 0.00 0.00 0.00 54.97 55.81 3gdt s GLU 90 Cb -0.18 -3.32 0.32 0.00 2.00 0.00 0.00 34.13 32.95 3gdt s GLU 90 CO -0.08 0.42 1.86 -0.97 -0.56 0.00 0.00 175.26 175.93 3gdt h ASN 91 N 5.22 0.85 -0.03 -1.70 -1.24 -1.38 -3.39 115.58 113.89 3gdt h ASN 91 Ca -0.46 0.01 -0.35 0.00 0.71 0.00 0.00 56.30 56.22 3gdt h ASN 91 Cb 1.21 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 40.07 3gdt h ASN 91 CO 0.68 0.55 0.57 -1.14 -1.29 0.00 0.00 177.43 176.80 3gdt n ARG 92 N -4.61 0.00 -2.88 6.67 3.00 -1.26 -4.79 116.66 112.79 3gdt n ARG 92 Ca 0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.53 3gdt n ARG 92 Cb 0.16 -0.67 -0.02 0.00 0.00 0.00 0.00 32.46 31.93 3gdt n ARG 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3gdt s LYS 93 N 2.58 3.65 0.37 -0.14 1.02 -1.26 -4.34 119.74 121.62 3gdt s LYS 93 Ca 0.53 -1.76 -0.28 0.00 0.02 0.00 0.00 55.97 54.48 3gdt s LYS 93 Cb -0.67 -5.00 -0.11 0.00 -0.52 0.00 0.00 37.83 31.53 3gdt s LYS 93 CO 0.30 -1.84 1.44 1.19 -0.92 0.00 0.00 175.35 175.53 3gdt n PHE 94 N 6.79 2.84 -2.70 3.18 3.72 -1.09 -4.74 117.46 125.46 3gdt n PHE 94 Ca 0.27 0.47 -0.08 0.00 -0.05 0.00 0.00 57.45 58.06 3gdt n PHE 94 Cb 0.49 -2.51 0.09 0.00 -0.94 0.00 0.00 39.48 36.61 3gdt n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gdt n ALA 95 N 0.41 1.76 -3.85 4.37 0.00 -1.26 -0.85 120.51 121.09 3gdt n ALA 95 Ca 0.02 -1.86 -0.08 0.00 0.00 0.00 0.00 53.44 51.52 3gdt n ALA 95 Cb 0.38 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 3gdt n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gdt n ASP 96 N -0.38 -1.57 -2.72 0.00 -0.08 -1.26 -4.94 116.55 105.60 3gdt n ASP 96 Ca 0.01 -2.61 -0.15 0.00 -1.51 0.00 0.00 54.79 50.53 3gdt n ASP 96 Cb 0.83 2.76 -0.05 0.00 2.34 0.00 0.00 41.12 47.00 3gdt n ASP 96 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3gdt n ILE 97 N -0.51 0.00 -4.89 5.18 -5.35 -1.26 -4.46 119.36 108.07 3gdt n ILE 97 Ca -0.03 -1.69 0.00 0.00 -0.27 0.00 0.00 62.75 60.76 3gdt n ILE 97 Cb 0.53 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 3gdt n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdt n GLY 98 N -0.29 0.74 0.26 3.28 0.00 -1.26 -2.83 105.19 105.09 3gdt n GLY 98 Ca 0.03 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.33 3gdt n GLY 98 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gdt h ASN 99 N 2.49 0.00 0.36 1.61 2.35 -1.98 -2.21 115.58 118.19 3gdt h ASN 99 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3gdt h ASN 99 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gdt h ASN 99 CO 0.00 0.08 -0.17 0.74 -1.65 0.00 0.00 177.43 176.43 3gdt h THR 100 N 0.00 0.65 -0.14 2.81 2.02 -1.97 -1.20 112.91 115.09 3gdt h THR 100 Ca -0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 3gdt h THR 100 Cb 0.17 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3gdt h THR 100 CO 0.01 0.00 -0.42 1.62 0.37 0.00 0.00 175.52 177.11 3gdt h VAL 101 N -0.48 1.31 -0.58 3.16 3.04 -1.32 -1.61 116.25 119.77 3gdt h VAL 101 Ca -0.05 -1.55 -0.01 0.00 -1.01 0.00 0.00 66.70 64.08 3gdt h VAL 101 Cb 0.37 1.67 -0.03 0.00 -2.01 0.00 0.00 31.29 31.29 3gdt h VAL 101 CO 0.08 0.47 0.33 0.11 -1.01 0.00 0.00 177.57 177.55 3gdt h LYS 102 N 0.26 0.80 -0.00 4.17 1.57 -1.24 -2.23 116.57 119.90 3gdt h LYS 102 Ca 0.02 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.55 3gdt h LYS 102 Cb 0.85 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3gdt h LYS 102 CO 0.07 0.60 -0.78 -0.07 -0.57 0.00 0.00 179.45 178.70 3gdt h LEU 103 N 0.78 0.02 -1.45 2.94 3.38 -1.07 0.66 115.31 120.58 3gdt h LEU 103 Ca 0.21 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3gdt h LEU 103 Cb 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3gdt h LEU 103 CO -0.03 0.80 -0.27 1.56 0.09 0.00 0.00 178.44 180.58 3gdt h GLN 104 N 0.01 0.00 0.13 1.13 4.20 -1.08 -0.28 115.11 119.22 3gdt h GLN 104 Ca -0.01 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.34 3gdt h GLN 104 Cb 1.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 3gdt h GLN 104 CO 0.10 0.27 -1.92 -0.92 -0.67 0.00 0.00 178.83 175.70 3gdt h TYR 105 N 0.00 0.49 0.03 2.96 3.20 -1.22 -3.42 116.97 119.01 3gdt h TYR 105 Ca -0.00 -0.36 -0.33 0.00 3.14 0.00 0.00 58.73 61.18 3gdt h TYR 105 Cb 0.55 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 3gdt h TYR 105 CO 0.00 1.70 -1.98 -1.13 -1.64 0.00 0.00 178.16 175.11 3gdt n SER 106 N -3.47 1.09 0.00 -2.11 3.41 0.21 -0.54 113.62 112.21 3gdt n SER 106 Ca -0.29 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3gdt n SER 106 Cb 1.05 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 3gdt n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdt n ALA 107 N -2.76 0.00 -0.39 7.33 0.00 -0.12 -4.38 120.51 120.19 3gdt n ALA 107 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3gdt n ALA 107 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 3gdt n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdt n GLY 108 N 5.00 -1.37 0.12 0.00 0.00 -1.26 -1.49 105.19 106.19 3gdt n GLY 108 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 3gdt n GLY 108 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gdt h VAL 109 N 0.00 1.29 0.01 1.61 -1.51 -1.97 -3.32 116.25 112.35 3gdt h VAL 109 Ca 0.00 -2.46 -0.21 0.00 -1.23 0.00 0.00 66.70 62.80 3gdt h VAL 109 Cb 0.00 2.40 -0.03 0.00 -2.13 0.00 0.00 31.29 31.54 3gdt h VAL 109 CO 0.00 0.66 -0.99 1.88 -1.23 0.00 0.00 177.57 177.89 3gdt h TYR 110 N 0.00 0.05 -7.07 5.19 0.05 -1.96 -3.45 116.97 109.77 3gdt h TYR 110 Ca -0.01 -0.04 -0.62 0.00 0.05 0.00 0.00 58.73 58.12 3gdt h TYR 110 Cb 1.35 -0.00 -0.20 0.00 1.01 0.00 0.00 36.73 38.88 3gdt h TYR 110 CO 0.00 0.99 -0.96 0.54 -1.05 0.00 0.00 178.16 177.68 3gdt n ARG 111 N -3.41 -0.92 -0.27 4.88 1.74 -0.56 -4.81 116.66 113.31 3gdt n ARG 111 Ca -0.01 0.09 0.08 0.00 -0.77 0.00 0.00 57.85 57.24 3gdt n ARG 111 Cb 0.92 -3.53 0.22 0.00 -1.02 0.00 0.00 32.46 29.05 3gdt n ARG 111 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gdt h ILE 112 N -1.79 0.48 -0.05 0.55 2.04 -1.73 -1.04 117.51 115.97 3gdt h ILE 112 Ca -0.66 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.11 3gdt h ILE 112 Cb 1.39 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3gdt h ILE 112 CO 0.70 0.06 0.06 0.00 0.00 0.00 0.00 178.15 178.97 3gdt h ALA 113 N 1.66 1.57 0.00 1.87 0.00 -1.08 0.42 119.26 123.70 3gdt h ALA 113 Ca 0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 3gdt h ALA 113 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3gdt h ALA 113 CO -0.53 -0.09 -0.21 0.93 0.00 0.00 0.00 179.25 179.35 3gdt h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.46 -3.39 114.58 114.82 3gdt h GLU 114 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3gdt h GLU 114 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3gdt h GLU 114 CO -0.00 0.21 -0.40 -2.67 -1.00 0.00 0.00 179.01 175.15 3gdt n TRP 115 N -3.42 0.00 -2.66 4.33 4.27 -0.82 -5.03 117.44 114.10 3gdt n TRP 115 Ca -0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 3gdt n TRP 115 Cb 0.40 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.32 3gdt n TRP 115 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gdt s ALA 116 N -0.98 3.28 0.25 -1.67 0.00 0.08 -4.79 121.76 117.92 3gdt s ALA 116 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 3gdt s ALA 116 Cb 0.00 -3.77 0.26 0.00 0.00 0.00 0.00 23.12 19.61 3gdt s ALA 116 CO 0.00 -1.97 1.92 -0.44 0.00 0.00 0.00 175.76 175.28 3gdt h ASP 117 N 8.84 1.15 -4.30 0.00 3.32 -1.56 -3.44 116.42 120.44 3gdt h ASP 117 Ca -0.23 -0.04 -0.46 0.00 0.02 0.00 0.00 57.03 56.33 3gdt h ASP 117 Cb 1.06 -0.29 -0.26 0.00 0.22 0.00 0.00 39.33 40.07 3gdt h ASP 117 CO 1.07 0.84 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.01 3gdt s ILE 118 N -6.09 1.13 0.28 0.35 1.01 -0.51 -1.45 121.20 115.92 3gdt s ILE 118 Ca -0.13 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.62 3gdt s ILE 118 Cb 0.18 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3gdt s ILE 118 CO 0.82 0.07 0.18 0.42 0.00 0.00 0.00 174.94 176.42 3gdt s THR 119 N -0.75 0.18 0.06 2.92 -4.23 -0.86 -2.46 115.64 110.49 3gdt s THR 119 Ca 0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3gdt s THR 119 Cb -0.07 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 3gdt s THR 119 CO 0.01 0.00 -0.07 0.54 -0.54 0.00 0.00 174.62 174.56 3gdt s ASN 120 N -3.32 0.92 0.02 3.99 2.20 -1.26 -0.61 114.94 116.88 3gdt s ASN 120 Ca 0.38 -0.77 0.00 0.00 -0.94 0.00 0.00 52.86 51.53 3gdt s ASN 120 Cb 0.05 0.08 -0.02 0.00 -2.00 0.00 0.00 41.25 39.36 3gdt s ASN 120 CO 0.18 -0.35 -0.03 0.00 -2.94 0.00 0.00 177.10 173.97 3gdt s ALA 121 N -2.51 0.12 0.09 3.54 0.00 -0.18 -2.68 121.76 120.14 3gdt s ALA 121 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.12 3gdt s ALA 121 Cb -0.02 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 3gdt s ALA 121 CO -0.03 -0.15 0.88 -1.01 0.00 0.00 0.00 175.76 175.45 3gdt s HIS 122 N -1.40 3.78 -0.82 0.00 3.76 -0.03 -1.04 115.29 119.54 3gdt s HIS 122 Ca -0.15 1.66 0.27 0.00 -0.15 0.00 0.00 55.06 56.69 3gdt s HIS 122 Cb -0.10 -2.95 0.88 0.00 1.11 0.00 0.00 32.58 31.53 3gdt s HIS 122 CO -0.01 0.24 1.77 0.41 -0.85 0.00 0.00 174.74 176.30 3gdt n GLY 123 N 2.29 -1.60 0.45 -2.22 0.00 -1.26 -4.15 105.19 98.70 3gdt n GLY 123 Ca 0.00 -0.08 0.27 0.00 0.00 0.00 0.00 46.02 46.21 3gdt n GLY 123 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gdt h VAL 124 N 0.00 0.55 -0.00 1.61 3.04 -1.94 -0.32 116.25 119.19 3gdt h VAL 124 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3gdt h VAL 124 Cb 0.66 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 3gdt h VAL 124 CO 0.00 0.03 -0.00 1.33 -1.01 0.00 0.00 177.57 177.91 3gdt n VAL 125 N -4.36 0.00 0.00 1.51 0.24 -1.26 -5.03 118.33 109.44 3gdt n VAL 125 Ca 0.21 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 3gdt n VAL 125 Cb 0.94 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 3gdt n VAL 125 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gdt n GLY 126 N 1.12 0.22 0.22 7.63 0.00 -0.13 -4.54 105.19 109.70 3gdt n GLY 126 Ca 0.20 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.48 3gdt n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdt h PRO 127 N 0.00 0.00 -0.03 1.61 0.13 -1.94 -2.38 132.00 129.39 3gdt h PRO 127 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3gdt h PRO 127 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gdt h PRO 127 CO 0.00 0.00 0.04 0.78 -0.23 0.00 0.00 178.00 178.59 3gdt h GLY 128 N 0.00 0.00 1.87 1.56 0.00 -1.96 -0.06 103.07 104.48 3gdt h GLY 128 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3gdt h GLY 128 CO 0.00 0.00 -0.69 1.19 0.00 0.00 0.00 176.54 177.04 3gdt h ILE 129 N 0.00 1.45 0.02 2.60 2.10 -1.64 -0.77 117.51 121.26 3gdt h ILE 129 Ca 0.01 -2.24 -0.00 0.00 1.08 0.00 0.00 64.86 63.71 3gdt h ILE 129 Cb 0.09 2.20 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 3gdt h ILE 129 CO -0.00 0.65 -0.01 0.58 -1.08 0.00 0.00 178.15 178.29 3gdt h VAL 130 N 0.09 1.44 -0.32 2.19 2.07 -1.24 -2.15 116.25 118.32 3gdt h VAL 130 Ca -0.01 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 3gdt h VAL 130 Cb 1.22 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 33.38 3gdt h VAL 130 CO 0.10 0.37 -0.15 0.77 0.02 0.00 0.00 177.57 178.68 3gdt h SER 131 N -0.65 0.56 -0.02 0.57 4.64 -1.43 -0.87 113.55 116.35 3gdt h SER 131 Ca -0.00 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3gdt h SER 131 Cb 0.62 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3gdt h SER 131 CO 0.00 0.74 -0.01 1.23 -0.87 0.00 0.00 176.83 177.92 3gdt h GLY 132 N 0.96 0.04 1.53 -0.77 0.00 -1.20 -1.77 103.07 101.88 3gdt h GLY 132 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3gdt h GLY 132 CO 0.04 0.03 -0.05 1.41 0.00 0.00 0.00 176.54 177.97 3gdt h LEU 133 N -0.35 0.55 -0.41 3.11 3.38 -1.33 -1.49 115.31 118.77 3gdt h LEU 133 Ca 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3gdt h LEU 133 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3gdt h LEU 133 CO 0.00 0.65 0.16 0.50 0.09 0.00 0.00 178.44 179.84 3gdt h LYS 134 N 0.54 0.62 -0.57 1.13 3.64 -1.10 -0.46 116.57 120.37 3gdt h LYS 134 Ca 0.11 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3gdt h LYS 134 Cb 0.42 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3gdt h LYS 134 CO 0.02 0.59 -0.00 0.37 -2.27 0.00 0.00 179.45 178.15 3gdt h GLN 135 N 0.52 0.98 -0.55 1.90 4.15 -1.04 -2.17 115.11 118.90 3gdt h GLN 135 Ca 0.14 -0.30 -0.06 0.00 0.77 0.00 0.00 58.65 59.20 3gdt h GLN 135 Cb 0.21 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3gdt h GLN 135 CO -0.01 0.96 0.10 0.00 -1.93 0.00 0.00 178.83 177.96 3gdt h ALA 136 N 1.09 0.73 -0.65 3.38 0.00 -1.00 -2.25 119.26 120.56 3gdt h ALA 136 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gdt h ALA 136 Cb 0.53 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3gdt h ALA 136 CO 0.03 0.46 0.41 0.00 0.00 0.00 0.00 179.25 180.15 3gdt h ALA 137 N 1.00 0.83 -0.22 0.00 0.00 -0.89 -1.66 119.26 118.32 3gdt h ALA 137 Ca 0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3gdt h ALA 137 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gdt h ALA 137 CO 0.01 0.28 -0.15 0.93 0.00 0.00 0.00 179.25 180.32 3gdt h GLU 138 N 0.89 0.36 0.00 0.00 5.08 -1.19 -1.78 114.58 117.94 3gdt h GLU 138 Ca 0.24 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3gdt h GLU 138 Cb -0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3gdt h GLU 138 CO -0.05 0.52 -0.61 0.93 -1.00 0.00 0.00 179.01 178.80 3gdt h GLU 139 N 0.34 0.00 0.21 2.33 5.08 -1.06 -3.35 114.58 118.13 3gdt h GLU 139 Ca 0.06 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.08 3gdt h GLU 139 Cb 0.47 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 3gdt h GLU 139 CO 0.03 0.60 -1.63 0.28 -1.00 0.00 0.00 179.01 177.29 3gdt h VAL 140 N 0.00 1.07 -3.10 3.13 2.07 -1.05 -3.49 116.25 114.88 3gdt h VAL 140 Ca -0.01 -2.57 -0.04 0.00 0.82 0.00 0.00 66.70 64.90 3gdt h VAL 140 Cb 1.46 2.87 -0.13 0.00 -1.52 0.00 0.00 31.29 33.97 3gdt h VAL 140 CO 0.08 0.83 0.06 0.28 0.02 0.00 0.00 177.57 178.84 3gdt s THR 141 N -2.58 0.03 -1.08 2.57 -1.32 -0.69 -4.96 115.64 107.61 3gdt s THR 141 Ca -0.14 -0.29 0.23 0.00 -1.21 0.00 0.00 61.69 60.29 3gdt s THR 141 Cb 0.05 -1.06 -0.07 0.00 -1.51 0.00 0.00 72.50 69.91 3gdt s THR 141 CO 0.88 -0.16 1.22 2.29 -2.21 0.00 0.00 174.62 176.64 3gdt n LYS 142 N -0.13 0.09 -2.07 7.08 2.85 -1.26 -4.38 118.16 120.34 3gdt n LYS 142 Ca -0.17 -0.06 -0.39 0.00 -1.05 0.00 0.00 58.31 56.63 3gdt n LYS 142 Cb 0.63 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.51 3gdt n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3gdt s GLU 143 N -2.95 3.94 0.25 -1.58 0.41 -1.26 -4.92 118.70 112.58 3gdt s GLU 143 Ca 0.11 2.12 -0.31 0.00 -0.41 0.00 0.00 54.97 56.48 3gdt s GLU 143 Cb 0.17 -2.72 -0.13 0.00 -1.78 0.00 0.00 34.13 29.67 3gdt s GLU 143 CO 0.75 -0.51 1.44 -0.35 -0.49 0.00 0.00 175.26 176.10 3gdt n PRO 144 N 0.06 2.17 -4.19 0.39 -0.04 -1.26 -5.00 135.00 127.13 3gdt n PRO 144 Ca 0.04 0.77 -0.16 0.00 -0.04 0.00 0.00 63.50 64.11 3gdt n PRO 144 Cb 0.44 -2.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.31 3gdt n PRO 144 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gdt s ARG 145 N -0.45 0.57 0.06 0.54 1.81 -1.26 -4.81 118.95 115.41 3gdt s ARG 145 Ca 0.67 -0.46 0.00 0.00 -1.72 0.00 0.00 55.73 54.23 3gdt s ARG 145 Cb -0.62 -0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 33.35 3gdt s ARG 145 CO 0.50 0.12 -0.05 0.20 -0.68 0.00 0.00 175.30 175.39 3gdt s GLY 146 N -0.71 0.55 -0.02 -3.53 0.00 -0.53 -4.81 107.32 98.26 3gdt s GLY 146 Ca -0.01 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.60 3gdt s GLY 146 CO 0.00 -1.26 -0.17 -2.27 0.00 0.00 0.00 173.10 169.41 3gdt s LEU 147 N -2.70 1.98 -0.08 0.66 2.96 0.01 -2.04 118.68 119.48 3gdt s LEU 147 Ca 0.05 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3gdt s LEU 147 Cb 0.04 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 3gdt s LEU 147 CO -0.06 0.19 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.32 3gdt s LEU 148 N -0.23 3.14 -0.05 -0.68 1.43 0.22 -1.17 118.68 121.34 3gdt s LEU 148 Ca 0.03 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3gdt s LEU 148 Cb -0.08 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 3gdt s LEU 148 CO 0.00 0.34 0.29 -0.04 0.23 0.00 0.00 176.35 177.17 3gdt s MET 149 N -0.65 3.70 -1.25 1.70 -1.94 -0.52 -1.01 119.30 119.33 3gdt s MET 149 Ca 0.10 0.16 -0.17 0.00 -1.71 0.00 0.00 55.69 54.07 3gdt s MET 149 Cb -0.11 -3.20 0.10 0.00 2.01 0.00 0.00 34.83 33.62 3gdt s MET 149 CO 0.02 0.73 1.63 -0.51 -0.01 0.00 0.00 175.02 176.87 3gdt s LEU 150 N -1.08 4.18 0.12 -0.03 1.43 -0.21 -1.44 118.68 121.65 3gdt s LEU 150 Ca 0.20 -2.54 -0.09 0.00 -1.03 0.00 0.00 54.13 50.68 3gdt s LEU 150 Cb -0.15 -2.53 -0.11 0.00 0.03 0.00 0.00 46.19 43.44 3gdt s LEU 150 CO 0.09 -1.07 1.31 0.00 0.23 0.00 0.00 176.35 176.92 3gdt h ALA 151 N 7.61 0.35 -3.24 4.21 0.00 -1.78 -3.42 119.26 123.00 3gdt h ALA 151 Ca 0.39 -0.64 -0.45 0.00 0.00 0.00 0.00 54.91 54.22 3gdt h ALA 151 Cb 0.88 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.27 3gdt h ALA 151 CO 1.39 0.72 -0.76 -1.21 0.00 0.00 0.00 179.25 179.39 3gdt s GLU 152 N -3.57 0.42 0.41 0.00 2.02 -1.04 -4.36 118.70 112.57 3gdt s GLU 152 Ca -0.08 0.01 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 3gdt s GLU 152 Cb 0.09 -1.28 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 3gdt s GLU 152 CO 0.89 -0.44 0.64 -0.51 0.02 0.00 0.00 175.26 175.86 3gdt s LEU 153 N 2.01 3.83 0.00 1.80 1.43 -1.26 -4.32 118.68 122.16 3gdt s LEU 153 Ca 0.03 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3gdt s LEU 153 Cb -0.14 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3gdt s LEU 153 CO -0.06 -0.46 0.69 -1.54 0.23 0.00 0.00 176.35 175.21 3gdt n SER 154 N -1.98 1.38 -4.81 2.29 3.41 -1.26 -4.93 113.62 107.72 3gdt n SER 154 Ca -0.02 -1.38 -0.33 0.00 -0.26 0.00 0.00 58.87 56.88 3gdt n SER 154 Cb 0.56 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3gdt n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdt n LYS 156 N -1.15 2.68 -1.01 0.00 4.81 -1.26 -2.13 118.16 120.11 3gdt n LYS 156 Ca 0.09 0.97 -0.00 0.00 -0.87 0.00 0.00 58.31 58.49 3gdt n LYS 156 Cb 0.53 -2.80 -0.00 0.00 0.02 0.00 0.00 35.03 32.78 3gdt n LYS 156 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gdt n GLY 157 N 3.73 0.38 3.64 3.14 0.00 -1.26 -5.00 105.19 109.83 3gdt n GLY 157 Ca 0.15 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3gdt n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gdt n SER 158 N -0.21 0.73 -1.37 1.61 3.41 -0.91 -4.93 113.62 111.96 3gdt n SER 158 Ca -0.00 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 3gdt n SER 158 Cb 0.14 -1.45 0.32 0.00 -0.26 0.00 0.00 64.21 62.96 3gdt n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gdt n LEU 159 N -2.23 4.62 -3.65 1.04 4.77 -1.26 -4.81 117.00 115.48 3gdt n LEU 159 Ca 0.13 -2.74 -0.42 0.00 -0.03 0.00 0.00 56.01 52.95 3gdt n LEU 159 Cb 0.50 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3gdt n LEU 159 CO 0.48 0.70 2.57 0.00 -1.33 0.00 0.00 177.39 179.82 3gdt n ALA 160 N 0.38 5.06 -1.47 -1.18 0.00 -1.26 -4.78 120.51 117.26 3gdt n ALA 160 Ca 0.24 -3.64 -0.16 0.00 0.00 0.00 0.00 53.44 49.87 3gdt n ALA 160 Cb 0.95 -3.54 0.17 0.00 0.00 0.00 0.00 19.45 17.02 3gdt n ALA 160 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gdt n THR 161 N 5.21 0.00 -0.20 0.00 -2.24 -1.26 -4.70 114.28 111.09 3gdt n THR 161 Ca 0.53 -0.61 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 3gdt n THR 161 Cb 0.37 -1.47 0.03 0.00 -2.10 0.00 0.00 70.33 67.16 3gdt n THR 161 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gdt h GLY 162 N -1.62 0.83 0.95 3.38 0.00 -1.97 0.48 103.07 105.12 3gdt h GLY 162 Ca -0.32 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 3gdt h GLY 162 CO 0.22 0.32 0.11 -2.09 0.00 0.00 0.00 176.54 175.10 3gdt h GLU 163 N 0.78 0.69 -0.59 4.80 4.57 -1.96 0.47 114.58 123.35 3gdt h GLU 163 Ca 0.21 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3gdt h GLU 163 Cb -0.05 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 3gdt h GLU 163 CO -0.04 0.69 0.27 -0.92 -1.18 0.00 0.00 179.01 177.83 3gdt h TYR 164 N 0.57 0.86 -0.57 0.92 3.20 -1.80 -0.35 116.97 119.80 3gdt h TYR 164 Ca 0.14 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3gdt h TYR 164 Cb 0.30 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3gdt h TYR 164 CO 0.02 0.67 0.11 1.15 -1.64 0.00 0.00 178.16 178.47 3gdt h THR 165 N 0.80 1.25 -0.70 1.81 2.02 -0.69 -0.34 112.91 117.05 3gdt h THR 165 Ca 0.20 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.45 3gdt h THR 165 Cb 0.14 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3gdt h THR 165 CO -0.02 0.35 0.47 0.11 0.37 0.00 0.00 175.52 176.79 3gdt h LYS 166 N 0.83 0.93 -0.48 6.66 1.79 -0.53 0.04 116.57 125.82 3gdt h LYS 166 Ca 0.18 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3gdt h LYS 166 Cb 0.39 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 3gdt h LYS 166 CO 0.01 0.61 0.07 0.78 -1.08 0.00 0.00 179.45 179.84 3gdt h GLY 167 N 0.96 0.80 1.06 3.86 0.00 -0.66 -1.54 103.07 107.55 3gdt h GLY 167 Ca 0.26 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 3gdt h GLY 167 CO -0.06 0.45 -0.27 -0.84 0.00 0.00 0.00 176.54 175.82 3gdt h THR 168 N 0.72 1.28 -0.79 4.70 2.02 -0.29 -2.24 112.91 118.31 3gdt h THR 168 Ca 0.15 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 3gdt h THR 168 Cb 0.34 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 3gdt h THR 168 CO 0.01 0.48 0.32 0.58 0.37 0.00 0.00 175.52 177.28 3gdt h VAL 169 N 0.69 1.26 -0.65 3.16 2.07 -0.76 -1.33 116.25 120.69 3gdt h VAL 169 Ca 0.08 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3gdt h VAL 169 Cb 0.85 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3gdt h VAL 169 CO 0.07 0.33 0.28 0.44 0.02 0.00 0.00 177.57 178.71 3gdt h ASP 170 N 1.15 0.86 -0.59 0.57 3.32 -1.11 -1.90 116.42 118.71 3gdt h ASP 170 Ca 0.26 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3gdt h ASP 170 Cb 0.20 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3gdt h ASP 170 CO -0.02 0.76 -0.02 0.40 -1.72 0.00 0.00 179.24 178.63 3gdt h ILE 171 N 0.93 1.27 -0.67 0.35 2.04 -0.82 -2.76 117.51 117.86 3gdt h ILE 171 Ca 0.22 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.93 3gdt h ILE 171 Cb 0.15 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3gdt h ILE 171 CO -0.02 0.42 0.44 0.00 0.00 0.00 0.00 178.15 178.99 3gdt h ALA 172 N 0.97 1.58 0.00 1.87 0.00 -0.54 -1.46 119.26 121.68 3gdt h ALA 172 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gdt h ALA 172 Cb 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gdt h ALA 172 CO 0.03 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.28 3gdt n LYS 173 N -4.45 0.17 0.16 0.00 5.02 -0.78 -2.13 118.16 116.14 3gdt n LYS 173 Ca 0.08 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 57.05 3gdt n LYS 173 Cb 0.09 -1.93 0.51 0.00 -0.02 0.00 0.00 35.03 33.67 3gdt n LYS 173 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3gdt h SER 174 N 0.00 0.00 -1.24 4.39 4.64 -1.31 -3.39 113.55 116.63 3gdt h SER 174 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3gdt h SER 174 Cb 0.15 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.02 3gdt h SER 174 CO 0.00 0.00 -0.52 -0.62 -0.87 0.00 0.00 176.83 174.82 3gdt s ASP 175 N -4.63 -0.87 0.04 4.97 -1.08 -0.91 -4.98 116.67 109.22 3gdt s ASP 175 Ca 0.05 -1.10 0.22 0.00 -0.52 0.00 0.00 52.55 51.20 3gdt s ASP 175 Cb 0.09 1.60 0.93 0.00 -1.46 0.00 0.00 42.92 44.08 3gdt s ASP 175 CO 0.46 -0.18 1.71 2.29 0.52 0.00 0.00 175.17 179.97 3gdt n LYS 176 N 4.21 0.04 0.11 4.34 2.85 -1.26 -1.01 118.16 127.44 3gdt n LYS 176 Ca 0.12 0.16 -0.18 0.00 -1.05 0.00 0.00 58.31 57.36 3gdt n LYS 176 Cb 0.54 -1.56 -0.13 0.00 -0.65 0.00 0.00 35.03 33.23 3gdt n LYS 176 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gdt h ASP 177 N 0.00 0.59 0.00 -5.58 3.45 -1.93 -3.40 116.42 109.55 3gdt h ASP 177 Ca 0.00 -0.59 -0.31 0.00 0.43 0.00 0.00 57.03 56.56 3gdt h ASP 177 Cb 0.41 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 38.93 3gdt h ASP 177 CO 0.00 1.44 -2.19 0.33 -1.57 0.00 0.00 179.24 177.25 3gdt n PHE 178 N -3.64 0.00 -2.86 4.55 7.35 -1.16 -4.40 117.46 117.30 3gdt n PHE 178 Ca -0.11 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.16 3gdt n PHE 178 Cb 1.00 -0.81 -0.04 0.00 0.35 0.00 0.00 39.48 39.98 3gdt n PHE 178 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gdt s VAL 179 N -2.42 4.42 -1.21 -2.13 1.01 -0.18 -0.80 120.40 119.09 3gdt s VAL 179 Ca -0.26 0.20 0.25 0.00 0.00 0.00 0.00 61.98 62.17 3gdt s VAL 179 Cb 0.07 -4.53 0.09 0.00 0.00 0.00 0.00 36.38 32.01 3gdt s VAL 179 CO 0.51 -1.10 1.47 2.30 0.00 0.00 0.00 175.10 178.28 3gdt n ILE 180 N 6.14 0.00 -2.29 2.22 -5.35 -0.31 -4.60 119.36 115.16 3gdt n ILE 180 Ca 0.01 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 3gdt n ILE 180 Cb 0.47 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 3gdt n ILE 180 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdt n GLY 181 N 1.45 -0.53 3.10 3.28 0.00 -1.24 -0.78 105.19 110.47 3gdt n GLY 181 Ca 0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 3gdt n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdt s PHE 182 N -3.39 0.52 -0.34 1.61 0.08 0.15 -1.43 117.98 115.17 3gdt s PHE 182 Ca 0.00 -1.05 -0.13 0.00 0.12 0.00 0.00 56.93 55.87 3gdt s PHE 182 Cb 0.00 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 42.06 3gdt s PHE 182 CO 0.00 -0.40 0.25 0.42 -0.10 0.00 0.00 175.22 175.39 3gdt s ILE 183 N -3.93 5.28 0.29 0.64 -1.09 -0.52 -1.33 121.20 120.54 3gdt s ILE 183 Ca 0.08 -0.21 -0.18 0.00 -2.23 0.00 0.00 60.65 58.11 3gdt s ILE 183 Cb 0.08 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 3gdt s ILE 183 CO -0.09 -0.02 0.68 0.00 -1.23 0.00 0.00 174.94 174.27 3gdt s ALA 184 N 1.74 -0.91 -1.77 9.38 0.00 -0.76 -2.31 121.76 127.12 3gdt s ALA 184 Ca 0.06 -0.51 0.18 0.00 0.00 0.00 0.00 51.96 51.69 3gdt s ALA 184 Cb -0.17 0.88 0.04 0.00 0.00 0.00 0.00 23.12 23.86 3gdt s ALA 184 CO 0.11 -0.99 0.95 1.04 0.00 0.00 0.00 175.76 176.86 3gdt n GLN 185 N -0.46 1.58 -3.97 0.00 1.13 -1.26 -3.90 117.38 110.51 3gdt n GLN 185 Ca -0.04 -1.05 -0.09 0.00 -1.94 0.00 0.00 57.00 53.89 3gdt n GLN 185 Cb 0.60 -1.32 -0.04 0.00 0.11 0.00 0.00 30.24 29.58 3gdt n GLN 185 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3gdt s ARG 186 N -1.87 1.61 0.52 -1.09 1.70 -1.26 -4.94 118.95 113.60 3gdt s ARG 186 Ca 0.16 -1.19 -0.22 0.00 -0.47 0.00 0.00 55.73 54.01 3gdt s ARG 186 Cb 0.14 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.97 3gdt s ARG 186 CO 0.38 -0.69 1.34 0.34 -1.08 0.00 0.00 175.30 175.59 3gdt s ASP 187 N -2.99 5.51 -0.05 -2.89 2.15 -1.23 -4.93 116.67 112.23 3gdt s ASP 187 Ca 0.20 2.71 0.11 0.00 0.43 0.00 0.00 52.55 56.00 3gdt s ASP 187 Cb -0.02 -2.63 0.33 0.00 -0.30 0.00 0.00 42.92 40.30 3gdt s ASP 187 CO 0.09 -1.40 1.27 0.23 -0.17 0.00 0.00 175.17 175.18 3gdt n MET 188 N -0.80 2.85 0.00 4.34 2.81 -1.26 -5.09 117.12 119.96 3gdt n MET 188 Ca 0.09 -2.22 0.00 0.00 -1.81 0.00 0.00 57.70 53.76 3gdt n MET 188 Cb 0.45 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 3gdt n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdt n GLY 189 N 0.08 1.38 0.59 3.03 0.00 -1.26 -4.94 105.19 104.07 3gdt n GLY 189 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3gdt n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdt n GLY 190 N 0.00 3.25 0.20 -0.02 0.00 -1.26 -4.74 105.19 102.62 3gdt n GLY 190 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3gdt n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdt h ARG 191 N 1.73 0.41 0.00 1.61 3.08 -1.91 -0.65 114.38 118.65 3gdt h ARG 191 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gdt h ARG 191 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3gdt h ARG 191 CO 0.00 0.27 0.00 -0.44 -1.07 0.00 0.00 179.97 178.73 3gdt h ASP 192 N 0.42 0.00 -0.25 7.04 3.45 -1.92 -1.75 116.42 123.41 3gdt h ASP 192 Ca 0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.69 3gdt h ASP 192 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 3gdt h ASP 192 CO -0.20 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 176.85 3gdt n GLU 193 N -2.79 2.18 -0.54 3.56 4.71 -0.40 -4.97 120.64 122.40 3gdt n GLU 193 Ca -0.02 -2.01 0.00 0.00 -0.01 0.00 0.00 57.16 55.12 3gdt n GLU 193 Cb 0.11 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 3gdt n GLU 193 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gdt n GLY 194 N 1.23 0.69 3.69 0.62 0.00 -0.66 -5.07 105.19 105.69 3gdt n GLY 194 Ca 0.15 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3gdt n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdt s TYR 195 N -2.00 3.12 -0.48 1.61 2.02 -0.39 -5.00 117.35 116.23 3gdt s TYR 195 Ca 0.00 0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 3gdt s TYR 195 Cb 0.00 -1.71 0.15 0.00 -0.40 0.00 0.00 41.96 40.00 3gdt s TYR 195 CO 0.00 0.47 0.30 0.34 -1.57 0.00 0.00 175.55 175.09 3gdt s ASP 196 N -1.37 3.44 -0.04 2.29 2.15 -1.26 -3.16 116.67 118.72 3gdt s ASP 196 Ca 0.18 -2.90 -0.18 0.00 0.43 0.00 0.00 52.55 50.07 3gdt s ASP 196 Cb -0.11 -1.02 -0.05 0.00 -0.30 0.00 0.00 42.92 41.44 3gdt s ASP 196 CO 0.08 -0.22 0.50 0.26 -0.17 0.00 0.00 175.17 175.63 3gdt s TRP 197 N 0.01 3.64 0.02 -5.34 0.51 -1.26 -4.87 118.94 111.64 3gdt s TRP 197 Ca 0.22 1.03 -0.30 0.00 -2.12 0.00 0.00 56.10 54.93 3gdt s TRP 197 Cb -0.16 -2.50 -0.05 0.00 -0.81 0.00 0.00 33.47 29.95 3gdt s TRP 197 CO -0.06 0.36 1.17 -0.51 -0.51 0.00 0.00 176.95 177.40 3gdt s LEU 198 N -0.14 4.35 -0.33 2.99 1.43 0.04 -4.90 118.68 122.11 3gdt s LEU 198 Ca 0.27 1.91 -0.06 0.00 -1.03 0.00 0.00 54.13 55.22 3gdt s LEU 198 Cb -0.17 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3gdt s LEU 198 CO 0.14 -0.47 0.10 -0.63 0.23 0.00 0.00 176.35 175.71 3gdt s ILE 199 N 1.36 3.78 -0.20 -0.59 -1.09 -1.26 -0.67 121.20 122.52 3gdt s ILE 199 Ca 0.57 -1.08 -0.05 0.00 -2.23 0.00 0.00 60.65 57.87 3gdt s ILE 199 Cb -0.27 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 3gdt s ILE 199 CO 0.27 -0.14 -0.01 -0.04 -1.23 0.00 0.00 174.94 173.79 3gdt s MET 200 N 1.41 3.56 -0.18 2.79 -1.94 -0.44 -0.57 119.30 123.93 3gdt s MET 200 Ca -0.01 -0.54 -0.00 0.00 -1.71 0.00 0.00 55.69 53.42 3gdt s MET 200 Cb -0.19 -3.06 0.01 0.00 2.01 0.00 0.00 34.83 33.60 3gdt s MET 200 CO 0.03 -0.03 -0.16 0.99 -0.01 0.00 0.00 175.02 175.84 3gdt s THR 201 N 1.08 2.45 0.69 2.05 2.01 -0.33 -1.83 115.64 121.77 3gdt s THR 201 Ca 0.02 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 3gdt s THR 201 Cb -0.14 -2.05 0.11 0.00 0.01 0.00 0.00 72.50 70.42 3gdt s THR 201 CO 0.01 0.51 0.96 -2.16 -0.69 0.00 0.00 174.62 173.25 3gdt s PRO 202 N 1.22 1.85 -0.62 4.92 0.04 -1.26 -0.42 135.00 140.73 3gdt s PRO 202 Ca 0.03 -0.96 -0.04 0.00 0.04 0.00 0.00 61.00 60.07 3gdt s PRO 202 Cb -0.14 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3gdt s PRO 202 CO -0.08 -1.32 0.52 0.41 0.04 0.00 0.00 177.00 176.57 3gdt n GLY 203 N -2.78 0.27 3.64 0.56 0.00 -1.23 -4.89 105.19 100.76 3gdt n GLY 203 Ca 0.13 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3gdt n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdt s VAL 204 N -3.12 4.36 0.00 1.61 1.01 -1.25 -2.48 120.40 120.52 3gdt s VAL 204 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3gdt s VAL 204 Cb -0.11 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3gdt s VAL 204 CO 0.32 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.58 3gdt n GLY 205 N 2.76 -0.02 0.00 4.51 0.00 -1.26 -4.74 105.19 106.44 3gdt n GLY 205 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3gdt n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdt n ARG 218 N -1.83 0.00 -1.65 1.61 1.74 -1.04 -4.68 116.66 110.81 3gdt n ARG 218 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3gdt n ARG 218 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 3gdt n ARG 218 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gdt s THR 219 N 0.00 4.06 0.11 0.55 -4.23 -1.26 -4.89 115.64 109.98 3gdt s THR 219 Ca 0.00 0.67 -0.21 0.00 -1.18 0.00 0.00 61.69 60.97 3gdt s THR 219 Cb 0.00 -3.48 -0.09 0.00 1.34 0.00 0.00 72.50 70.27 3gdt s THR 219 CO 0.00 -0.87 1.73 0.58 -0.54 0.00 0.00 174.62 175.51 3gdt h VAL 220 N -0.66 0.92 -1.00 2.29 2.07 -1.94 -2.03 116.25 115.90 3gdt h VAL 220 Ca -0.44 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.14 3gdt h VAL 220 Cb 1.21 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 3gdt h VAL 220 CO 0.59 0.01 0.64 0.44 0.02 0.00 0.00 177.57 179.27 3gdt h ASP 221 N 0.03 1.02 0.69 0.57 3.32 -1.93 -1.14 116.42 118.98 3gdt h ASP 221 Ca 0.05 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3gdt h ASP 221 Cb 0.06 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.42 3gdt h ASP 221 CO -0.09 0.63 -0.33 -0.78 -1.72 0.00 0.00 179.24 176.95 3gdt h ASP 222 N 1.14 -0.79 -0.45 6.45 3.58 -1.82 -1.80 116.42 122.75 3gdt h ASP 222 Ca 0.44 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.87 3gdt h ASP 222 Cb 0.22 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 3gdt h ASP 222 CO -0.19 -0.52 0.16 -0.37 -2.88 0.00 0.00 179.24 175.44 3gdt h VAL 223 N -0.99 1.21 -0.37 2.25 -1.51 -1.16 -2.30 116.25 113.37 3gdt h VAL 223 Ca -0.09 -0.69 -0.06 0.00 -1.23 0.00 0.00 66.70 64.63 3gdt h VAL 223 Cb 0.73 0.82 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 3gdt h VAL 223 CO 0.16 0.25 0.00 0.58 -1.23 0.00 0.00 177.57 177.33 3gdt h VAL 224 N 0.58 1.21 -0.03 7.19 2.07 -1.27 -1.49 116.25 124.52 3gdt h VAL 224 Ca 0.15 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 3gdt h VAL 224 Cb 0.23 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3gdt h VAL 224 CO -0.01 0.29 -0.48 0.28 0.02 0.00 0.00 177.57 177.67 3gdt h SER 225 N 0.56 0.08 0.28 0.57 0.02 -1.11 -2.88 113.55 111.07 3gdt h SER 225 Ca 0.12 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3gdt h SER 225 Cb 0.36 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3gdt h SER 225 CO 0.01 0.55 -0.06 0.35 -1.14 0.00 0.00 176.83 176.55 3gdt n THR 226 N -3.97 0.00 0.00 -2.27 -2.24 -0.88 -4.89 114.28 100.03 3gdt n THR 226 Ca -0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3gdt n THR 226 Cb 0.51 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3gdt n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdt n GLY 227 N 1.21 1.27 3.73 3.38 0.00 -1.09 -3.51 105.19 110.18 3gdt n GLY 227 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3gdt n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdt s SER 228 N -1.28 7.25 -0.10 1.61 0.01 -0.60 -4.60 113.70 116.00 3gdt s SER 228 Ca 0.00 1.99 0.07 0.00 1.31 0.00 0.00 55.95 59.33 3gdt s SER 228 Cb 0.00 -2.59 -0.24 0.00 0.21 0.00 0.00 66.02 63.40 3gdt s SER 228 CO 0.00 -0.27 0.44 0.47 0.41 0.00 0.00 173.24 174.29 3gdt n ASP 229 N 2.96 1.18 -4.00 2.44 8.00 0.26 -4.53 116.55 122.87 3gdt n ASP 229 Ca 0.05 0.27 -0.20 0.00 0.71 0.00 0.00 54.79 55.61 3gdt n ASP 229 Cb 0.47 -0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.24 3gdt n ASP 229 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gdt s ILE 230 N -2.57 0.76 -0.22 0.53 1.01 -0.61 -4.81 121.20 115.29 3gdt s ILE 230 Ca -0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 3gdt s ILE 230 Cb 0.07 -0.68 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 3gdt s ILE 230 CO 0.80 0.24 0.14 0.27 0.00 0.00 0.00 174.94 176.38 3gdt s ILE 231 N 0.15 5.26 -0.38 2.92 -4.36 -0.40 -1.18 121.20 123.21 3gdt s ILE 231 Ca -0.02 0.14 -0.13 0.00 -0.26 0.00 0.00 60.65 60.38 3gdt s ILE 231 Cb -0.08 -3.43 0.01 0.00 1.25 0.00 0.00 42.46 40.22 3gdt s ILE 231 CO 0.00 0.39 0.25 -0.63 0.24 0.00 0.00 174.94 175.19 3gdt s ILE 232 N 0.80 5.01 -0.09 8.37 1.01 0.44 -0.74 121.20 135.99 3gdt s ILE 232 Ca 0.07 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3gdt s ILE 232 Cb -0.13 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 3gdt s ILE 232 CO 0.02 -0.20 -0.13 -0.69 0.00 0.00 0.00 174.94 173.94 3gdt s VAL 233 N 1.65 3.08 0.00 2.92 1.01 -0.47 -3.47 120.40 125.12 3gdt s VAL 233 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3gdt s VAL 233 Cb -0.19 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.94 3gdt s VAL 233 CO 0.09 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3gdt n GLY 234 N 2.98 0.72 0.37 4.51 0.00 -1.26 -0.57 105.19 111.93 3gdt n GLY 234 Ca -0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.03 3gdt n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdt h ARG 235 N 0.00 0.00 0.00 1.61 3.08 -1.99 -0.21 114.38 116.87 3gdt h ARG 235 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gdt h ARG 235 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gdt h ARG 235 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3gdt n GLY 236 N -1.39 -0.88 0.08 0.04 0.00 -1.26 -0.68 105.19 101.09 3gdt n GLY 236 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.19 3gdt n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdt n LEU 237 N -2.03 0.49 0.00 0.99 4.77 -0.09 -4.80 117.00 116.33 3gdt n LEU 237 Ca -0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3gdt n LEU 237 Cb 0.08 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3gdt n LEU 237 CO 0.10 0.14 0.00 2.22 -1.33 0.00 0.00 177.39 178.52 3gdt n PHE 238 N -2.69 0.00 -1.55 -1.77 1.16 -0.80 -3.49 117.46 108.32 3gdt n PHE 238 Ca -0.12 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.17 3gdt n PHE 238 Cb 0.81 0.00 0.16 0.00 -1.61 0.00 0.00 39.48 38.84 3gdt n PHE 238 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdt s ALA 239 N 0.00 1.70 -1.51 1.98 0.00 0.14 -3.83 121.76 120.24 3gdt s ALA 239 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 3gdt s ALA 239 Cb 0.00 -2.95 0.08 0.00 0.00 0.00 0.00 23.12 20.25 3gdt s ALA 239 CO 0.00 -2.52 0.92 1.63 0.00 0.00 0.00 175.76 175.79 3gdt n LYS 240 N -3.92 -5.33 -1.02 0.00 5.02 -1.26 -1.64 118.16 110.01 3gdt n LYS 240 Ca 0.09 0.61 -0.01 0.00 -2.02 0.00 0.00 58.31 56.99 3gdt n LYS 240 Cb 0.59 -5.49 -0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3gdt n LYS 240 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdt n GLY 241 N -1.64 0.35 3.75 0.72 0.00 -1.26 -5.00 105.19 102.12 3gdt n GLY 241 Ca 0.03 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3gdt n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdt s ARG 242 N -0.97 2.55 -0.47 1.61 0.52 -0.65 -4.98 118.95 116.57 3gdt s ARG 242 Ca 0.00 1.53 -0.17 0.00 -0.52 0.00 0.00 55.73 56.57 3gdt s ARG 242 Cb 0.00 -1.91 0.05 0.00 0.52 0.00 0.00 34.95 33.61 3gdt s ARG 242 CO 0.00 -1.47 0.49 0.34 0.02 0.00 0.00 175.30 174.69 3gdt s ASP 243 N -2.36 6.19 0.37 0.23 3.68 -1.26 -4.77 116.67 118.74 3gdt s ASP 243 Ca 0.70 -0.94 0.09 0.00 2.13 0.00 0.00 52.55 54.54 3gdt s ASP 243 Cb -0.24 -2.24 0.84 0.00 -1.45 0.00 0.00 42.92 39.84 3gdt s ASP 243 CO 0.43 -0.71 1.89 0.00 0.13 0.00 0.00 175.17 176.91 3gdt h ALA 244 N 8.83 1.86 -0.48 3.66 0.00 -1.89 0.58 119.26 131.82 3gdt h ALA 244 Ca -0.27 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3gdt h ALA 244 Cb 1.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3gdt h ALA 244 CO 0.88 -0.07 -0.07 -0.22 0.00 0.00 0.00 179.25 179.77 3gdt h LYS 245 N 0.66 0.89 -0.27 0.00 3.64 -1.87 0.12 116.57 119.74 3gdt h LYS 245 Ca 0.41 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3gdt h LYS 245 Cb 0.66 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3gdt h LYS 245 CO -0.17 0.96 -0.11 0.28 -2.27 0.00 0.00 179.45 178.14 3gdt h VAL 246 N 0.74 1.29 -0.25 2.00 2.07 -1.67 -2.85 116.25 117.58 3gdt h VAL 246 Ca 0.13 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 3gdt h VAL 246 Cb 0.61 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3gdt h VAL 246 CO 0.04 0.37 -0.27 -0.33 0.02 0.00 0.00 177.57 177.41 3gdt h GLU 247 N 0.30 0.48 -0.75 1.57 4.39 -0.86 -1.49 114.58 118.22 3gdt h GLU 247 Ca 0.06 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3gdt h GLU 247 Cb 0.61 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 3gdt h GLU 247 CO 0.04 0.71 0.50 0.78 -1.16 0.00 0.00 179.01 179.87 3gdt h GLY 248 N 1.03 1.06 1.05 -3.84 0.00 -0.68 -0.94 103.07 100.75 3gdt h GLY 248 Ca 0.06 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 3gdt h GLY 248 CO 0.05 0.39 -0.37 -2.09 0.00 0.00 0.00 176.54 174.52 3gdt h GLU 249 N 1.02 0.81 0.05 4.80 4.57 -1.26 -1.12 114.58 123.45 3gdt h GLU 249 Ca 0.28 -0.45 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 3gdt h GLU 249 Cb -0.12 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3gdt h GLU 249 CO -0.06 1.08 -0.16 0.00 -1.18 0.00 0.00 179.01 178.70 3gdt h ARG 250 N 0.58 -0.28 -0.15 1.92 3.08 -0.90 0.48 114.38 119.12 3gdt h ARG 250 Ca 0.04 0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 3gdt h ARG 250 Cb 0.96 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3gdt h ARG 250 CO 0.09 -0.18 -0.49 1.88 -1.07 0.00 0.00 179.97 180.20 3gdt h TYR 251 N -0.29 0.47 -0.03 3.04 -1.99 -1.22 -1.84 116.97 115.11 3gdt h TYR 251 Ca 0.04 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.61 3gdt h TYR 251 Cb 0.33 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 38.96 3gdt h TYR 251 CO -0.19 0.80 0.01 -0.09 -0.00 0.00 0.00 178.16 178.70 3gdt h ARG 252 N 0.31 0.05 -0.52 4.88 2.43 -0.91 -0.21 114.38 120.40 3gdt h ARG 252 Ca 0.02 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3gdt h ARG 252 Cb 0.97 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 3gdt h ARG 252 CO 0.08 0.19 0.31 -0.22 -1.51 0.00 0.00 179.97 178.82 3gdt h LYS 253 N -0.10 0.59 -0.11 0.20 3.64 -0.86 0.50 116.57 120.43 3gdt h LYS 253 Ca 0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3gdt h LYS 253 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3gdt h LYS 253 CO -0.00 0.39 0.07 0.00 -2.27 0.00 0.00 179.45 177.64 3gdt h ALA 254 N 1.23 0.14 -0.56 5.00 0.00 -1.17 -0.80 119.26 123.10 3gdt h ALA 254 Ca 0.21 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3gdt h ALA 254 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gdt h ALA 254 CO -0.10 -0.34 -0.03 0.78 0.00 0.00 0.00 179.25 179.55 3gdt h GLY 255 N 0.11 1.10 0.86 0.00 0.00 -0.79 -1.99 103.07 102.37 3gdt h GLY 255 Ca 0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 3gdt h GLY 255 CO -0.01 0.77 -0.05 -0.25 0.00 0.00 0.00 176.54 177.00 3gdt h TRP 256 N 0.91 0.56 -0.60 5.60 2.91 -0.80 -1.63 115.95 122.89 3gdt h TRP 256 Ca 0.16 -0.12 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 3gdt h TRP 256 Cb 0.59 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.07 3gdt h TRP 256 CO 0.04 0.70 0.28 0.93 -1.03 0.00 0.00 178.44 179.36 3gdt h GLU 257 N 0.25 0.85 -0.51 2.65 5.08 -1.12 0.06 114.58 121.85 3gdt h GLU 257 Ca 0.07 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3gdt h GLU 257 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3gdt h GLU 257 CO 0.02 0.67 -0.02 0.00 -1.00 0.00 0.00 179.01 178.68 3gdt h ALA 258 N 1.45 0.99 -0.39 3.43 0.00 -1.20 -2.19 119.26 121.36 3gdt h ALA 258 Ca 0.21 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3gdt h ALA 258 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3gdt h ALA 258 CO -0.03 0.61 0.02 -0.92 0.00 0.00 0.00 179.25 178.93 3gdt h TYR 259 N 0.81 0.73 -0.11 0.00 3.20 -0.35 -2.65 116.97 118.61 3gdt h TYR 259 Ca 0.15 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3gdt h TYR 259 Cb 0.52 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3gdt h TYR 259 CO 0.03 0.75 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.11 3gdt h LEU 260 N 0.50 0.15 -0.42 2.82 3.38 -0.81 -2.47 115.31 118.47 3gdt h LEU 260 Ca 0.11 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3gdt h LEU 260 Cb 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3gdt h LEU 260 CO 0.02 0.29 -0.33 0.08 0.09 0.00 0.00 178.44 178.59 3gdt h ARG 261 N 0.16 0.00 -6.88 1.13 0.11 -1.17 -3.45 114.38 104.28 3gdt h ARG 261 Ca 0.03 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.59 3gdt h ARG 261 Cb 0.30 0.00 0.07 0.00 1.11 0.00 0.00 29.97 31.46 3gdt h ARG 261 CO 0.02 0.33 0.68 0.50 0.10 0.00 0.00 179.97 181.59 3gdt s ARG 262 N -3.26 4.30 -0.15 0.08 3.52 -0.93 -4.94 118.95 117.58 3gdt s ARG 262 Ca 0.03 2.29 -0.29 0.00 -0.13 0.00 0.00 55.73 57.62 3gdt s ARG 262 Cb 0.08 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 3gdt s ARG 262 CO 0.69 -0.27 1.25 0.00 -0.81 0.00 0.00 175.30 176.16 3gdt s GLY 264 N 1.89 1.60 -0.19 0.00 0.00 -1.26 -4.19 107.32 105.16 3gdt s GLY 264 Ca 0.55 -0.71 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 3gdt s GLY 264 CO 0.16 -0.43 1.38 1.62 0.00 0.00 0.00 173.10 175.83 3gdt s GLN 265 N -4.96 4.08 0.00 2.90 2.00 0.45 -4.80 119.66 119.32 3gdt s GLN 265 Ca 0.53 1.63 0.24 0.00 -2.00 0.00 0.00 55.36 55.77 3gdt s GLN 265 Cb -0.10 -3.87 0.19 0.00 0.80 0.00 0.00 33.01 30.02 3gdt s GLN 265 CO 0.45 -0.92 1.25 1.04 -0.50 0.00 0.00 175.29 176.60