#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2t s GLU 8 N 0.00 2.22 0.87 0.54 0.41 -1.26 -5.13 118.70 116.36 3g2t s GLU 8 Ca 0.00 -1.88 -0.12 0.00 -0.41 0.00 0.00 54.97 52.56 3g2t s GLU 8 Cb 0.00 -1.96 0.11 0.00 -1.78 0.00 0.00 34.13 30.50 3g2t s GLU 8 CO 0.00 -0.15 1.10 0.95 -0.49 0.00 0.00 175.26 176.67 3g2t s THR 9 N -2.62 2.68 0.25 3.63 -4.23 -1.26 -4.87 115.64 109.21 3g2t s THR 9 Ca 0.39 0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 61.07 3g2t s THR 9 Cb 0.04 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.29 3g2t s THR 9 CO 0.22 -0.29 1.90 -0.07 -0.54 0.00 0.00 174.62 175.84 3g2t h LEU 10 N -1.41 1.03 0.16 4.79 4.07 -1.98 -2.13 115.31 119.85 3g2t h LEU 10 Ca -0.49 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.47 3g2t h LEU 10 Cb 1.29 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 3g2t h LEU 10 CO 0.57 0.71 -0.48 -0.33 -1.08 0.00 0.00 178.44 177.84 3g2t h GLU 11 N 1.21 -0.70 -0.73 1.13 3.07 -1.98 0.40 114.58 116.98 3g2t h GLU 11 Ca 0.38 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.33 3g2t h GLU 11 Cb -0.01 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 3g2t h GLU 11 CO -0.12 -0.46 0.48 0.00 -1.40 0.00 0.00 179.01 177.51 3g2t h ALA 12 N -0.69 1.62 -0.18 3.43 0.00 -1.89 -1.46 119.26 120.09 3g2t h ALA 12 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3g2t h ALA 12 Cb 0.71 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3g2t h ALA 12 CO -0.23 0.29 -0.21 0.00 0.00 0.00 0.00 179.25 179.10 3g2t h ARG 13 N 0.84 0.45 -0.33 0.00 3.08 -0.97 -2.10 114.38 115.36 3g2t h ARG 13 Ca 0.30 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3g2t h ARG 13 Cb 0.13 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3g2t h ARG 13 CO -0.09 0.83 0.02 0.97 -1.07 0.00 0.00 179.97 180.64 3g2t h ILE 14 N 0.10 1.18 -0.17 2.04 6.09 -0.69 -0.39 117.51 125.67 3g2t h ILE 14 Ca 0.02 -0.70 -0.11 0.00 -1.37 0.00 0.00 64.86 62.70 3g2t h ILE 14 Cb 0.77 0.91 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 3g2t h ILE 14 CO 0.05 0.24 -0.37 0.78 -3.07 0.00 0.00 178.15 175.78 3g2t h ASN 15 N 0.48 0.37 0.25 2.19 2.35 -1.10 -1.72 115.58 118.40 3g2t h ASN 15 Ca 0.11 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3g2t h ASN 15 Cb 0.28 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3g2t h ASN 15 CO 0.01 0.72 -0.12 0.03 -1.65 0.00 0.00 177.43 176.42 3g2t h ARG 16 N 0.31 -0.32 0.00 0.81 3.08 -1.14 -2.82 114.38 114.30 3g2t h ARG 16 Ca 0.03 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3g2t h ARG 16 Cb 0.80 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3g2t h ARG 16 CO 0.06 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.98 3g2t h ALA 17 N -0.10 1.00 0.00 0.04 0.00 -0.93 -2.89 119.26 116.38 3g2t h ALA 17 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g2t h ALA 17 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3g2t h ALA 17 CO 0.06 0.00 -0.04 0.25 0.00 0.00 0.00 179.25 179.51 3g2t n THR 18 N -2.44 0.74 -1.67 0.00 -2.24 -0.66 -4.71 114.28 103.30 3g2t n THR 18 Ca 0.00 -0.79 -0.48 0.00 -2.27 0.00 0.00 64.05 60.51 3g2t n THR 18 Cb 0.15 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 3g2t n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3g2t n ASN 19 N -0.44 3.18 0.12 3.42 2.85 -1.06 -4.43 115.26 118.89 3g2t n ASN 19 Ca 0.02 1.03 0.20 0.00 -0.11 0.00 0.00 54.58 55.71 3g2t n ASN 19 Cb 0.41 -1.37 0.76 0.00 1.24 0.00 0.00 39.78 40.82 3g2t n ASN 19 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3g2t h PRO 20 N 7.66 0.00 0.00 1.20 0.11 -1.90 -2.25 132.00 136.82 3g2t h PRO 20 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3g2t h PRO 20 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3g2t h PRO 20 CO 0.92 0.00 -0.02 1.28 -0.21 0.00 0.00 178.00 179.97 3g2t n LEU 21 N -3.72 0.62 -4.71 2.35 4.77 -1.26 -4.89 117.00 110.17 3g2t n LEU 21 Ca 0.06 0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 56.15 3g2t n LEU 21 Cb 0.56 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3g2t n LEU 21 CO 0.27 -0.13 1.23 0.59 -1.33 0.00 0.00 177.39 178.01 3g2t n ASN 22 N -2.08 3.52 0.16 -1.43 3.02 -0.85 -4.89 115.26 112.72 3g2t n ASN 22 Ca 0.06 1.11 0.07 0.00 -0.03 0.00 0.00 54.58 55.79 3g2t n ASN 22 Cb 0.41 -1.52 0.07 0.00 -0.61 0.00 0.00 39.78 38.13 3g2t n ASN 22 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3g2t h LYS 23 N 5.48 0.00 -3.40 3.52 1.57 -1.90 -3.47 116.57 118.37 3g2t h LYS 23 Ca -0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 3g2t h LYS 23 Cb 1.23 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.47 3g2t h LYS 23 CO 0.85 0.21 0.01 -1.83 -0.57 0.00 0.00 179.45 178.12 3g2t s GLU 24 N -3.11 1.61 0.13 3.15 -1.05 -1.26 -5.13 118.70 113.05 3g2t s GLU 24 Ca 0.04 -1.13 -0.35 0.00 -0.15 0.00 0.00 54.97 53.38 3g2t s GLU 24 Cb 0.07 0.52 -0.16 0.00 -0.44 0.00 0.00 34.13 34.12 3g2t s GLU 24 CO 0.73 -0.70 1.32 1.28 0.95 0.00 0.00 175.26 178.83 3g2t n LEU 25 N -0.40 1.88 -4.32 1.83 4.77 -1.26 -4.90 117.00 114.60 3g2t n LEU 25 Ca -0.03 1.12 -0.46 0.00 -0.03 0.00 0.00 56.01 56.62 3g2t n LEU 25 Cb 0.61 -1.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.44 3g2t n LEU 25 CO 0.19 -1.00 0.52 -0.62 -1.33 0.00 0.00 177.39 175.16 3g2t s ASP 26 N 0.36 6.86 0.30 -1.43 2.15 -1.26 -4.91 116.67 118.74 3g2t s ASP 26 Ca 0.79 -3.02 0.08 0.00 0.43 0.00 0.00 52.55 50.83 3g2t s ASP 26 Cb -0.87 -2.19 0.45 0.00 -0.30 0.00 0.00 42.92 40.02 3g2t s ASP 26 CO 0.48 -0.46 1.68 -0.50 -0.17 0.00 0.00 175.17 176.20 3g2t h TRP 27 N 7.34 0.16 -0.53 -5.34 4.06 -1.97 -0.56 115.95 119.10 3g2t h TRP 27 Ca 0.13 -0.05 0.05 0.00 2.06 0.00 0.00 58.89 61.08 3g2t h TRP 27 Cb 0.98 -0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 29.06 3g2t h TRP 27 CO 0.93 0.59 0.27 0.00 -3.56 0.00 0.00 178.44 176.67 3g2t h ALA 28 N 1.40 0.69 0.09 1.49 0.00 -1.99 0.35 119.26 121.28 3g2t h ALA 28 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 3g2t h ALA 28 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3g2t h ALA 28 CO 0.07 -0.08 -1.14 0.77 0.00 0.00 0.00 179.25 178.87 3g2t h SER 29 N 0.51 0.44 0.51 0.00 0.02 -1.80 -1.67 113.55 111.55 3g2t h SER 29 Ca 0.24 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3g2t h SER 29 Cb 0.16 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3g2t h SER 29 CO -0.17 1.29 -0.24 0.40 -1.14 0.00 0.00 176.83 176.97 3g2t h ILE 30 N 0.11 0.49 -0.78 3.27 2.04 -0.98 -1.64 117.51 120.02 3g2t h ILE 30 Ca -0.11 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3g2t h ILE 30 Cb 1.84 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3g2t h ILE 30 CO 0.19 0.02 0.36 0.78 0.00 0.00 0.00 178.15 179.50 3g2t h ASN 31 N -0.75 1.03 -0.31 1.72 2.35 -0.98 -2.29 115.58 116.35 3g2t h ASN 31 Ca -0.07 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 3g2t h ASN 31 Cb 0.55 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3g2t h ASN 31 CO 0.11 0.88 0.13 1.23 -1.65 0.00 0.00 177.43 178.13 3g2t h GLY 32 N 1.10 0.56 0.91 2.83 0.00 -1.32 -0.81 103.07 106.35 3g2t h GLY 32 Ca 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3g2t h GLY 32 CO -0.03 0.26 -0.11 -2.75 0.00 0.00 0.00 176.54 173.91 3g2t h PHE 33 N 0.52 -0.29 -0.53 5.60 3.04 -0.75 -0.71 116.94 123.83 3g2t h PHE 33 Ca 0.13 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.17 3g2t h PHE 33 Cb 0.14 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 38.66 3g2t h PHE 33 CO 0.01 -0.11 0.06 0.00 -2.02 0.00 0.00 178.31 176.25 3g2t h GLU 35 N 0.19 0.31 0.00 0.00 5.08 -1.06 -3.22 114.58 115.88 3g2t h GLU 35 Ca 0.27 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 3g2t h GLU 35 Cb 0.40 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3g2t h GLU 35 CO -0.39 0.21 -0.64 0.37 -1.00 0.00 0.00 179.01 177.56 3g2t h GLN 36 N 0.32 0.00 0.00 2.33 5.75 -0.72 -3.30 115.11 119.49 3g2t h GLN 36 Ca 0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3g2t h GLN 36 Cb 0.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.76 3g2t h GLN 36 CO -0.22 0.64 0.00 1.37 -2.65 0.00 0.00 178.83 177.97 3g2t h LEU 37 N 0.00 0.00 -1.19 -2.39 8.10 -1.35 -0.77 115.31 117.71 3g2t h LEU 37 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 3g2t h LEU 37 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.50 3g2t h LEU 37 CO 0.08 0.00 -0.10 0.59 -4.11 0.00 0.00 178.44 174.90 3g2t n ASN 38 N -3.02 1.95 0.02 0.17 5.03 -1.24 -2.17 115.26 116.00 3g2t n ASN 38 Ca -0.01 -1.55 -0.11 0.00 0.87 0.00 0.00 54.58 53.77 3g2t n ASN 38 Cb 0.16 0.08 -0.06 0.00 -1.02 0.00 0.00 39.78 38.94 3g2t n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 3g2t h GLU 39 N 2.90 0.06 -5.32 3.52 4.57 -1.32 -3.44 114.58 115.54 3g2t h GLU 39 Ca 0.00 -0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 3g2t h GLU 39 Cb 0.69 -0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.13 3g2t h GLU 39 CO 0.00 0.04 -0.55 0.16 -1.18 0.00 0.00 179.01 177.48 3g2t s ASP 40 N -5.23 3.64 0.32 1.04 1.47 -1.26 -5.04 116.67 111.60 3g2t s ASP 40 Ca -0.13 -1.54 -0.00 0.00 1.18 0.00 0.00 52.55 52.06 3g2t s ASP 40 Cb 0.07 0.16 0.53 0.00 -0.34 0.00 0.00 42.92 43.34 3g2t s ASP 40 CO 0.67 -0.71 1.98 0.15 0.68 0.00 0.00 175.17 177.94 3g2t h PHE 41 N 1.64 0.94 -0.61 2.11 3.04 -1.92 -1.85 116.94 120.27 3g2t h PHE 41 Ca -0.42 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.55 3g2t h PHE 41 Cb 1.28 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.47 3g2t h PHE 41 CO 1.16 0.58 0.00 -1.91 -2.02 0.00 0.00 178.31 176.12 3g2t n GLU 42 N -4.43 2.65 0.18 1.11 4.07 -1.26 -4.46 120.64 118.51 3g2t n GLU 42 Ca 0.08 -2.53 -0.14 0.00 -0.06 0.00 0.00 57.16 54.50 3g2t n GLU 42 Cb 0.04 -1.55 -0.08 0.00 -0.06 0.00 0.00 31.44 29.80 3g2t n GLU 42 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3g2t h GLY 43 N 4.33 -0.43 0.72 8.31 0.00 -1.48 -2.81 103.07 111.71 3g2t h GLY 43 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.54 3g2t h GLY 43 CO 0.00 -0.16 0.18 -2.55 0.00 0.00 0.00 176.54 174.00 3g2t h PRO 44 N -0.42 0.36 -0.54 4.80 0.11 -1.66 0.18 132.00 134.83 3g2t h PRO 44 Ca -0.03 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3g2t h PRO 44 Cb 0.33 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 3g2t h PRO 44 CO 0.05 0.24 0.26 -1.00 -0.21 0.00 0.00 178.00 177.34 3g2t h PRO 45 N 0.37 0.75 -0.27 1.05 0.13 -1.87 -2.10 132.00 130.05 3g2t h PRO 45 Ca 0.18 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 3g2t h PRO 45 Cb 0.13 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 3g2t h PRO 45 CO -0.16 0.57 0.06 1.25 -0.23 0.00 0.00 178.00 179.50 3g2t h LEU 46 N 0.75 0.41 -0.90 1.56 5.85 -1.10 -2.12 115.31 119.76 3g2t h LEU 46 Ca 0.19 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.78 3g2t h LEU 46 Cb 0.07 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3g2t h LEU 46 CO -0.03 0.54 0.54 0.00 -0.34 0.00 0.00 178.44 179.16 3g2t h ALA 47 N 0.89 1.32 -0.13 1.25 0.00 -0.43 -0.42 119.26 121.74 3g2t h ALA 47 Ca 0.08 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 3g2t h ALA 47 Cb 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3g2t h ALA 47 CO 0.00 0.15 -0.79 0.00 0.00 0.00 0.00 179.25 178.62 3g2t h THR 48 N 0.88 1.29 -0.33 0.00 1.03 -1.38 0.30 112.91 114.70 3g2t h THR 48 Ca 0.44 -2.02 0.05 0.00 -0.01 0.00 0.00 66.41 64.87 3g2t h THR 48 Cb 0.42 2.02 -0.04 0.00 -1.07 0.00 0.00 68.15 69.48 3g2t h THR 48 CO -0.26 0.63 0.06 -0.09 -0.01 0.00 0.00 175.52 175.86 3g2t h ARG 49 N 0.49 0.17 -0.28 0.00 2.43 -1.00 -0.68 114.38 115.52 3g2t h ARG 49 Ca -0.05 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3g2t h ARG 49 Cb 1.41 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3g2t h ARG 49 CO 0.16 0.11 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.48 3g2t h LEU 50 N 0.18 0.64 -0.89 3.80 3.38 -0.79 -2.91 115.31 118.71 3g2t h LEU 50 Ca 0.16 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3g2t h LEU 50 Cb 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3g2t h LEU 50 CO -0.21 0.94 0.57 -0.07 0.09 0.00 0.00 178.44 179.76 3g2t h LEU 51 N 0.35 0.95 -0.77 1.67 3.38 -0.22 -2.43 115.31 118.24 3g2t h LEU 51 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3g2t h LEU 51 Cb 0.72 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3g2t h LEU 51 CO 0.05 0.65 0.27 0.00 0.09 0.00 0.00 178.44 179.49 3g2t h ALA 52 N 1.37 1.01 -0.04 1.53 0.00 -1.02 -0.45 119.26 121.66 3g2t h ALA 52 Ca 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3g2t h ALA 52 Cb 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3g2t h ALA 52 CO -0.12 0.67 -0.00 1.25 0.00 0.00 0.00 179.25 181.05 3g2t h HIS 53 N 1.14 0.07 -0.94 0.00 -0.00 -1.32 -2.98 115.15 111.12 3g2t h HIS 53 Ca 0.25 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.70 3g2t h HIS 53 Cb 0.28 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 27.60 3g2t h HIS 53 CO 0.02 0.36 0.60 0.87 -0.00 0.00 0.00 177.93 179.79 3g2t h LYS 54 N -0.24 0.94 0.00 5.26 1.79 -1.12 -2.19 116.57 121.02 3g2t h LYS 54 Ca 0.01 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 3g2t h LYS 54 Cb 0.33 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3g2t h LYS 54 CO 0.00 0.63 -0.27 0.82 -1.08 0.00 0.00 179.45 179.55 3g2t h ILE 55 N 0.97 0.75 -0.29 1.86 2.04 -1.05 -2.14 117.51 119.64 3g2t h ILE 55 Ca 0.43 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3g2t h ILE 55 Cb 0.37 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3g2t h ILE 55 CO -0.19 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.22 3g2t n GLN 56 N -3.57 2.14 -1.95 2.37 6.02 -0.83 -4.75 117.38 116.81 3g2t n GLN 56 Ca -0.01 -1.25 -0.42 0.00 -0.01 0.00 0.00 57.00 55.32 3g2t n GLN 56 Cb 0.41 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 3g2t n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3g2t s SER 57 N -0.73 6.59 0.00 1.08 0.15 -0.81 -4.87 113.70 115.11 3g2t s SER 57 Ca 0.22 2.68 0.10 0.00 0.70 0.00 0.00 55.95 59.66 3g2t s SER 57 Cb 0.14 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 62.27 3g2t s SER 57 CO 0.11 -0.78 1.32 -0.81 1.20 0.00 0.00 173.24 174.28 3g2t n PRO 58 N 3.01 0.00 -3.14 5.44 -0.04 -1.26 -4.48 135.00 134.53 3g2t n PRO 58 Ca 0.10 0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 63.45 3g2t n PRO 58 Cb 0.39 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 3g2t n PRO 58 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3g2t s GLN 59 N -3.00 3.20 0.22 0.54 -0.21 -1.26 -4.95 119.66 114.20 3g2t s GLN 59 Ca 0.05 -0.59 -0.08 0.00 0.02 0.00 0.00 55.36 54.76 3g2t s GLN 59 Cb 0.07 -4.00 0.29 0.00 1.00 0.00 0.00 33.01 30.36 3g2t s GLN 59 CO 0.18 -1.07 1.81 1.49 -2.12 0.00 0.00 175.29 175.58 3g2t h GLU 60 N 8.91 0.72 -0.08 2.91 4.81 -2.00 -1.76 114.58 128.09 3g2t h GLU 60 Ca -0.26 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.83 3g2t h GLU 60 Cb 1.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3g2t h GLU 60 CO 0.91 0.48 -0.39 2.35 -0.73 0.00 0.00 179.01 181.62 3g2t h TRP 61 N 0.74 0.19 0.09 0.92 -0.00 -1.94 0.15 115.95 116.10 3g2t h TRP 61 Ca 0.33 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.89 59.17 3g2t h TRP 61 Cb 0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 29.34 3g2t h TRP 61 CO -0.07 0.54 -0.04 1.49 -0.00 0.00 0.00 178.44 180.35 3g2t h GLU 62 N 0.14 -0.12 -0.61 2.65 4.81 -1.55 -2.15 114.58 117.75 3g2t h GLU 62 Ca 0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3g2t h GLU 62 Cb 0.76 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3g2t h GLU 62 CO 0.06 0.03 0.36 0.00 -0.73 0.00 0.00 179.01 178.73 3g2t h ALA 63 N 0.64 0.78 -0.63 2.92 0.00 -1.03 -2.01 119.26 119.93 3g2t h ALA 63 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3g2t h ALA 63 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3g2t h ALA 63 CO 0.02 0.28 0.19 0.82 0.00 0.00 0.00 179.25 180.56 3g2t h ILE 64 N 0.83 1.25 -0.52 0.00 1.08 -0.74 -0.54 117.51 118.86 3g2t h ILE 64 Ca 0.22 -0.86 -0.08 0.00 -0.39 0.00 0.00 64.86 63.75 3g2t h ILE 64 Cb 0.01 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 3g2t h ILE 64 CO -0.04 0.33 0.01 1.56 -0.69 0.00 0.00 178.15 179.32 3g2t h GLN 65 N 0.91 0.88 -0.31 2.37 4.20 -1.27 -1.81 115.11 120.09 3g2t h GLN 65 Ca 0.20 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 3g2t h GLN 65 Cb 0.30 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3g2t h GLN 65 CO -0.01 0.87 -0.42 0.00 -0.67 0.00 0.00 178.83 178.60 3g2t h ALA 66 N 1.19 0.68 -0.89 3.87 0.00 -1.08 -0.77 119.26 122.27 3g2t h ALA 66 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3g2t h ALA 66 Cb 0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3g2t h ALA 66 CO 0.02 0.67 0.56 -0.07 0.00 0.00 0.00 179.25 180.43 3g2t h LEU 67 N 0.62 1.04 -0.88 0.00 3.38 -0.95 -0.90 115.31 117.63 3g2t h LEU 67 Ca 0.05 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3g2t h LEU 67 Cb 0.98 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3g2t h LEU 67 CO 0.09 0.78 0.27 0.74 0.09 0.00 0.00 178.44 180.41 3g2t h THR 68 N 1.21 1.25 0.74 0.22 2.02 -0.96 -0.36 112.91 117.03 3g2t h THR 68 Ca 0.32 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3g2t h THR 68 Cb -0.10 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3g2t h THR 68 CO -0.06 0.33 -0.47 0.58 0.37 0.00 0.00 175.52 176.27 3g2t h VAL 69 N 1.06 0.07 -0.82 3.16 2.07 -0.80 -1.16 116.25 119.83 3g2t h VAL 69 Ca 0.24 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.89 3g2t h VAL 69 Cb 0.23 0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 29.93 3g2t h VAL 69 CO -0.02 0.00 -0.37 0.25 0.02 0.00 0.00 177.57 177.46 3g2t h LEU 70 N -1.14 -1.32 -0.48 2.57 5.85 -1.13 -0.39 115.31 119.28 3g2t h LEU 70 Ca -0.10 0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3g2t h LEU 70 Cb 0.92 0.68 -0.04 0.00 0.37 0.00 0.00 40.66 42.58 3g2t h LEU 70 CO 0.09 -0.30 0.22 -0.08 -0.34 0.00 0.00 178.44 178.04 3g2t h GLU 71 N -0.07 0.43 -0.29 1.25 4.81 -1.01 -1.34 114.58 118.36 3g2t h GLU 71 Ca 0.29 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3g2t h GLU 71 Cb 0.58 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3g2t h GLU 71 CO -0.85 0.28 0.05 1.15 -0.73 0.00 0.00 179.01 178.92 3g2t h THR 72 N 0.44 1.23 -0.14 0.32 2.02 0.10 -2.46 112.91 114.42 3g2t h THR 72 Ca 0.21 -0.78 -0.15 0.00 0.77 0.00 0.00 66.41 66.47 3g2t h THR 72 Cb 0.15 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3g2t h THR 72 CO -0.17 0.25 -0.56 0.00 0.37 0.00 0.00 175.52 175.42 3g2t h MET 74 N 0.33 0.00 0.00 0.00 2.07 -1.14 -2.49 114.93 113.70 3g2t h MET 74 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3g2t h MET 74 Cb 1.08 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.81 3g2t h MET 74 CO 0.10 0.15 0.00 0.87 1.07 0.00 0.00 176.91 179.10 3g2t h LYS 75 N 0.00 0.00 -6.21 1.72 1.57 -1.13 -3.45 116.57 109.08 3g2t h LYS 75 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3g2t h LYS 75 Cb 0.27 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 3g2t h LYS 75 CO 0.02 0.00 -0.56 -1.12 -0.57 0.00 0.00 179.45 177.22 3g2t s SER 76 N -4.65 5.41 0.35 0.86 0.01 -0.94 -5.07 113.70 109.67 3g2t s SER 76 Ca 0.03 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.79 3g2t s SER 76 Cb 0.09 -1.36 -0.11 0.00 0.21 0.00 0.00 66.02 64.85 3g2t s SER 76 CO 0.43 0.03 1.40 0.00 0.41 0.00 0.00 173.24 175.50 3g2t n GLY 78 N 0.76 -0.04 0.07 0.00 0.00 -1.26 -5.07 105.19 99.66 3g2t n GLY 78 Ca 0.01 0.65 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 3g2t n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g2t h LYS 79 N 0.00 -0.03 -0.45 1.61 3.64 -1.99 -1.41 116.57 117.95 3g2t h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3g2t h LYS 79 Cb 0.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3g2t h LYS 79 CO 0.00 -0.02 0.29 0.00 -2.27 0.00 0.00 179.45 177.45 3g2t h ARG 80 N -0.03 0.59 -0.40 1.90 3.08 -1.98 0.13 114.38 117.67 3g2t h ARG 80 Ca 0.03 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 3g2t h ARG 80 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3g2t h ARG 80 CO -0.07 0.40 -0.29 0.35 -1.07 0.00 0.00 179.97 179.30 3g2t h PHE 81 N 0.60 1.07 -0.76 3.04 3.57 -1.91 -0.08 116.94 122.48 3g2t h PHE 81 Ca 0.16 -0.29 0.05 0.00 3.53 0.00 0.00 57.97 61.42 3g2t h PHE 81 Cb -0.05 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.40 3g2t h PHE 81 CO -0.04 1.10 0.46 0.45 -2.23 0.00 0.00 178.31 178.05 3g2t h HIS 82 N 0.73 0.85 -0.46 0.41 3.86 -0.95 -2.05 115.15 117.54 3g2t h HIS 82 Ca 0.08 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 3g2t h HIS 82 Cb 0.87 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3g2t h HIS 82 CO 0.06 0.44 -0.25 -0.44 0.86 0.00 0.00 177.93 178.60 3g2t h ASP 83 N 0.85 1.01 -0.21 2.45 3.45 -0.45 -1.52 116.42 122.00 3g2t h ASP 83 Ca 0.33 -0.41 -0.01 0.00 0.43 0.00 0.00 57.03 57.37 3g2t h ASP 83 Cb 0.14 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 3g2t h ASP 83 CO -0.16 1.20 0.10 -0.33 -1.57 0.00 0.00 179.24 178.48 3g2t h GLU 84 N 0.83 0.31 0.00 3.56 4.39 -0.75 -2.78 114.58 120.14 3g2t h GLU 84 Ca 0.10 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3g2t h GLU 84 Cb 0.83 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3g2t h GLU 84 CO 0.07 0.35 -0.17 0.28 -1.16 0.00 0.00 179.01 178.38 3g2t h VAL 85 N 0.21 0.98 -0.30 3.13 2.07 -1.39 -2.80 116.25 118.15 3g2t h VAL 85 Ca 0.07 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3g2t h VAL 85 Cb 0.14 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3g2t h VAL 85 CO -0.01 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3g2t n GLY 86 N -0.93 0.74 3.91 2.17 0.00 -0.58 -4.16 105.19 106.35 3g2t n GLY 86 Ca -0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3g2t n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2t s LYS 87 N -1.61 3.55 0.55 1.61 1.02 -1.06 -4.47 119.74 119.34 3g2t s LYS 87 Ca 0.21 -0.25 0.29 0.00 0.02 0.00 0.00 55.97 56.24 3g2t s LYS 87 Cb 0.12 -2.88 1.60 0.00 -0.52 0.00 0.00 37.83 36.15 3g2t s LYS 87 CO 0.13 0.47 2.14 0.74 -0.92 0.00 0.00 175.35 177.91 3g2t h PHE 88 N 2.60 0.00 -0.59 3.18 0.04 -1.88 0.45 116.94 120.74 3g2t h PHE 88 Ca -0.46 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.43 3g2t h PHE 88 Cb 1.17 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.29 3g2t h PHE 88 CO 0.59 0.08 0.40 -0.09 -0.60 0.00 0.00 178.31 178.69 3g2t h ARG 89 N 0.00 0.25 0.00 1.51 2.43 -1.95 0.25 114.38 116.87 3g2t h ARG 89 Ca -0.00 -0.01 -0.45 0.00 -0.81 0.00 0.00 59.98 58.71 3g2t h ARG 89 Cb 0.22 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 3g2t h ARG 89 CO 0.01 0.16 -2.53 0.34 -1.51 0.00 0.00 179.97 176.44 3g2t n PHE 90 N -4.44 0.00 -0.32 2.20 7.35 -0.72 -4.44 117.46 117.09 3g2t n PHE 90 Ca 0.10 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.91 3g2t n PHE 90 Cb 0.48 -1.00 0.29 0.00 0.35 0.00 0.00 39.48 39.60 3g2t n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3g2t h LEU 91 N -0.72 0.55 -1.39 -2.13 4.07 -0.80 -0.42 115.31 114.46 3g2t h LEU 91 Ca -0.67 0.12 0.07 0.00 0.08 0.00 0.00 57.88 57.47 3g2t h LEU 91 Cb 1.69 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 43.43 3g2t h LEU 91 CO -0.34 0.15 0.47 0.78 -1.08 0.00 0.00 178.44 178.43 3g2t h ASN 92 N 0.58 0.64 -0.02 -0.43 2.35 -0.74 -0.67 115.58 117.30 3g2t h ASN 92 Ca 0.54 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.26 3g2t h ASN 92 Cb 0.91 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3g2t h ASN 92 CO -0.43 0.41 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.36 3g2t h GLU 93 N 0.73 0.22 0.00 0.81 4.39 -1.28 -2.07 114.58 117.38 3g2t h GLU 93 Ca 0.31 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.77 3g2t h GLU 93 Cb 0.29 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 28.92 3g2t h GLU 93 CO -0.11 0.31 -0.80 -0.07 -1.16 0.00 0.00 179.01 177.18 3g2t h LEU 94 N 0.22 0.69 -1.57 1.33 3.38 -1.14 -3.24 115.31 114.98 3g2t h LEU 94 Ca 0.05 -0.76 0.08 0.00 0.09 0.00 0.00 57.88 57.34 3g2t h LEU 94 Cb 0.27 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3g2t h LEU 94 CO 0.01 1.36 0.40 0.40 0.09 0.00 0.00 178.44 180.71 3g2t h ILE 95 N 0.10 0.94 0.00 1.22 2.04 -1.02 -2.48 117.51 118.31 3g2t h ILE 95 Ca -0.10 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3g2t h ILE 95 Cb 1.49 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3g2t h ILE 95 CO 0.16 0.09 -0.40 0.11 0.00 0.00 0.00 178.15 178.11 3g2t h LYS 96 N 0.50 0.00 -0.09 2.37 1.57 -1.40 -1.64 116.57 117.89 3g2t h LYS 96 Ca 0.27 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.83 3g2t h LYS 96 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 3g2t h LYS 96 CO -0.08 0.40 -0.83 0.28 -0.57 0.00 0.00 179.45 178.65 3g2t h VAL 97 N 0.00 1.32 -0.00 0.50 2.07 -1.50 0.23 116.25 118.86 3g2t h VAL 97 Ca -0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3g2t h VAL 97 Cb 0.78 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3g2t h VAL 97 CO 0.05 0.66 -0.60 1.33 0.02 0.00 0.00 177.57 179.03 3g2t n VAL 98 N -3.87 0.00 -3.21 2.57 0.24 -1.15 -2.95 118.33 109.96 3g2t n VAL 98 Ca -0.07 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.34 61.83 3g2t n VAL 98 Cb 0.77 0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 3g2t n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g2t s SER 99 N -2.95 6.76 0.45 -1.34 0.15 -0.63 -4.73 113.70 111.41 3g2t s SER 99 Ca 0.11 0.91 0.31 0.00 0.70 0.00 0.00 55.95 57.98 3g2t s SER 99 Cb 0.17 -2.33 1.51 0.00 -1.71 0.00 0.00 66.02 63.66 3g2t s SER 99 CO 0.72 -0.08 1.93 -0.65 1.20 0.00 0.00 173.24 176.36 3g2t h PRO 100 N 6.88 0.00 -0.00 5.44 0.11 -1.88 0.51 132.00 143.06 3g2t h PRO 100 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3g2t h PRO 100 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3g2t h PRO 100 CO 0.76 0.00 -0.20 0.36 -0.21 0.00 0.00 178.00 178.71 3g2t n LYS 101 N -2.64 0.68 0.00 1.05 2.85 -1.26 -4.44 118.16 114.39 3g2t n LYS 101 Ca -0.01 -0.32 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 3g2t n LYS 101 Cb 0.14 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 3g2t n LYS 101 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3g2t n TYR 102 N -0.88 0.00 1.00 5.58 4.02 -0.83 -4.98 117.16 121.07 3g2t n TYR 102 Ca 0.13 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.12 3g2t n TYR 102 Cb 0.31 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.60 3g2t n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g2t n LEU 103 N 0.00 1.62 0.26 7.72 4.77 0.80 -4.61 117.00 127.56 3g2t n LEU 103 Ca 0.00 -0.65 0.10 0.00 -0.03 0.00 0.00 56.01 55.44 3g2t n LEU 103 Cb 0.00 -0.01 0.71 0.00 -2.33 0.00 0.00 43.42 41.79 3g2t n LEU 103 CO 0.00 0.33 1.03 1.23 -1.33 0.00 0.00 177.39 178.64 3g2t h GLY 104 N 4.91 0.00 2.00 -0.72 0.00 0.12 -2.42 103.07 106.96 3g2t h GLY 104 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3g2t h GLY 104 CO 0.00 0.00 -0.42 1.76 0.00 0.00 0.00 176.54 177.88 3g2t h SER 105 N 0.00 0.00 -0.15 0.19 0.02 -1.78 -3.13 113.55 108.70 3g2t h SER 105 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3g2t h SER 105 Cb 0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 3g2t h SER 105 CO 0.01 0.42 -0.16 -2.11 -1.14 0.00 0.00 176.83 173.84 3g2t n ARG 106 N -3.44 1.81 -4.18 3.45 1.85 -0.93 -4.99 116.66 110.24 3g2t n ARG 106 Ca 0.00 -3.01 -0.35 0.00 -1.00 0.00 0.00 57.85 53.49 3g2t n ARG 106 Cb 0.57 -1.69 -0.09 0.00 -1.05 0.00 0.00 32.46 30.21 3g2t n ARG 106 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g2t s THR 107 N -3.08 4.65 0.63 8.89 2.01 -1.12 -5.01 115.64 122.60 3g2t s THR 107 Ca 0.39 -0.11 -0.18 0.00 0.31 0.00 0.00 61.69 62.11 3g2t s THR 107 Cb 0.35 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 3g2t s THR 107 CO 0.00 0.56 1.21 -0.94 -0.69 0.00 0.00 174.62 174.77 3g2t s SER 108 N -0.49 4.94 0.47 3.53 1.04 -1.26 -4.86 113.70 117.07 3g2t s SER 108 Ca 0.10 2.39 0.18 0.00 0.48 0.00 0.00 55.95 59.10 3g2t s SER 108 Cb -0.12 -2.60 1.15 0.00 0.10 0.00 0.00 66.02 64.56 3g2t s SER 108 CO 0.02 -1.76 2.03 -0.08 0.98 0.00 0.00 173.24 174.43 3g2t h GLU 109 N 0.59 0.00 -0.27 4.02 4.57 -1.98 -2.33 114.58 119.18 3g2t h GLU 109 Ca -0.50 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 57.74 3g2t h GLU 109 Cb 1.30 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.84 3g2t h GLU 109 CO 0.54 0.15 -0.08 -0.22 -1.18 0.00 0.00 179.01 178.21 3g2t h LYS 110 N 0.00 -0.03 -0.28 1.92 3.64 -1.99 0.14 116.57 119.97 3g2t h LYS 110 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3g2t h LYS 110 Cb 0.28 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3g2t h LYS 110 CO 0.02 -0.02 -0.28 0.28 -2.27 0.00 0.00 179.45 177.18 3g2t h VAL 111 N -0.03 1.30 -0.35 2.00 2.07 -1.84 -2.25 116.25 117.16 3g2t h VAL 111 Ca 0.13 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3g2t h VAL 111 Cb 0.23 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3g2t h VAL 111 CO -0.29 0.46 0.14 0.11 0.02 0.00 0.00 177.57 178.01 3g2t h LYS 112 N 0.41 0.52 -0.60 1.57 1.57 -1.21 -1.75 116.57 117.09 3g2t h LYS 112 Ca 0.04 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3g2t h LYS 112 Cb 0.85 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 3g2t h LYS 112 CO 0.07 0.51 0.14 -0.91 -0.57 0.00 0.00 179.45 178.69 3g2t h ASN 113 N 0.41 0.88 -0.16 0.86 -0.26 -0.77 -1.66 115.58 114.87 3g2t h ASN 113 Ca 0.11 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3g2t h ASN 113 Cb 0.19 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 3g2t h ASN 113 CO -0.01 0.86 0.10 0.50 -1.06 0.00 0.00 177.43 177.83 3g2t h LYS 114 N 0.90 0.22 -0.59 0.81 1.63 -1.21 0.11 116.57 118.44 3g2t h LYS 114 Ca 0.19 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.05 3g2t h LYS 114 Cb 0.33 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.85 3g2t h LYS 114 CO 0.00 0.17 0.25 0.82 -3.45 0.00 0.00 179.45 177.24 3g2t h ILE 115 N 0.21 0.84 -0.59 2.00 2.04 -1.01 -1.16 117.51 119.83 3g2t h ILE 115 Ca 0.06 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 3g2t h ILE 115 Cb -0.00 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3g2t h ILE 115 CO -0.01 0.08 -0.01 -0.07 0.00 0.00 0.00 178.15 178.14 3g2t h LEU 116 N 0.46 1.02 -0.61 1.44 3.38 -0.82 -1.60 115.31 118.58 3g2t h LEU 116 Ca 0.29 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3g2t h LEU 116 Cb 0.30 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3g2t h LEU 116 CO -0.26 1.08 0.29 -0.33 0.09 0.00 0.00 178.44 179.31 3g2t h GLU 117 N 0.95 0.88 -0.26 1.13 5.08 -0.49 -2.17 114.58 119.70 3g2t h GLU 117 Ca 0.17 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3g2t h GLU 117 Cb 0.57 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3g2t h GLU 117 CO 0.03 0.71 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.68 3g2t h LEU 118 N 0.83 0.46 -0.22 1.33 3.38 -0.94 -2.16 115.31 117.99 3g2t h LEU 118 Ca 0.21 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3g2t h LEU 118 Cb 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3g2t h LEU 118 CO -0.03 0.67 0.03 -0.07 0.09 0.00 0.00 178.44 179.13 3g2t h LEU 119 N 0.24 -0.01 -0.37 1.67 3.38 -1.26 -0.98 115.31 117.98 3g2t h LEU 119 Ca 0.07 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3g2t h LEU 119 Cb 0.43 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3g2t h LEU 119 CO 0.01 0.02 -0.02 0.22 0.09 0.00 0.00 178.44 178.77 3g2t h TYR 120 N 0.12 -0.05 -0.18 1.13 3.20 -1.38 -1.77 116.97 118.04 3g2t h TYR 120 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3g2t h TYR 120 Cb 0.11 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3g2t h TYR 120 CO -0.16 -0.09 0.11 0.66 -1.64 0.00 0.00 178.16 177.05 3g2t h SER 121 N 0.08 0.20 0.78 -2.11 4.64 -0.64 -0.63 113.55 115.88 3g2t h SER 121 Ca 0.18 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.32 3g2t h SER 121 Cb 0.26 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3g2t h SER 121 CO -0.32 0.15 -0.83 -0.50 -0.87 0.00 0.00 176.83 174.46 3g2t h TRP 122 N 0.24 0.05 -0.16 4.77 6.55 -0.51 -0.24 115.95 126.65 3g2t h TRP 122 Ca 0.06 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.88 3g2t h TRP 122 Cb -0.02 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 3g2t h TRP 122 CO 0.00 0.85 0.10 1.79 -1.05 0.00 0.00 178.44 180.13 3g2t h THR 123 N 0.02 1.05 0.08 1.49 1.35 -0.29 0.25 112.91 116.86 3g2t h THR 123 Ca -0.01 -0.10 -0.30 0.00 -0.55 0.00 0.00 66.41 65.45 3g2t h THR 123 Cb 1.46 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 3g2t h THR 123 CO 0.11 0.05 -1.59 0.58 -0.25 0.00 0.00 175.52 174.42 3g2t h VAL 124 N 0.22 0.83 0.00 6.82 2.07 -1.41 -3.35 116.25 121.43 3g2t h VAL 124 Ca 0.06 -2.30 -0.10 0.00 0.82 0.00 0.00 66.70 65.17 3g2t h VAL 124 Cb -0.01 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3g2t h VAL 124 CO -0.01 0.65 -0.80 1.23 0.02 0.00 0.00 177.57 178.66 3g2t h GLY 125 N 0.11 0.00 -5.98 2.17 0.00 -0.90 -3.37 103.07 95.10 3g2t h GLY 125 Ca -0.37 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.41 3g2t h GLY 125 CO -0.02 0.00 -0.98 1.04 0.00 0.00 0.00 176.54 176.58 3g2t n LEU 126 N -3.05 1.40 0.20 3.11 4.77 0.87 -4.95 117.00 119.35 3g2t n LEU 126 Ca -0.02 -4.99 0.14 0.00 -0.03 0.00 0.00 56.01 51.11 3g2t n LEU 126 Cb 0.73 0.29 0.66 0.00 -2.33 0.00 0.00 43.42 42.77 3g2t n LEU 126 CO 0.41 2.14 0.92 1.55 -1.33 0.00 0.00 177.39 181.08 3g2t h PRO 127 N 3.75 0.00 0.00 3.23 0.13 -1.70 -2.24 132.00 135.17 3g2t h PRO 127 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 3g2t h PRO 127 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3g2t h PRO 127 CO 0.58 0.00 -0.08 0.93 -0.23 0.00 0.00 178.00 179.20 3g2t h GLU 128 N 0.00 0.00 -5.14 0.86 3.07 -1.91 -3.35 114.58 108.11 3g2t h GLU 128 Ca 0.00 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.15 3g2t h GLU 128 Cb 0.24 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.03 3g2t h GLU 128 CO 0.00 0.08 1.96 0.39 -1.40 0.00 0.00 179.01 180.04 3g2t n GLU 129 N -3.21 3.26 0.25 2.33 -0.58 -0.84 -4.84 120.64 117.01 3g2t n GLU 129 Ca 0.00 -3.45 0.12 0.00 -0.42 0.00 0.00 57.16 53.41 3g2t n GLU 129 Cb 0.35 -3.27 0.63 0.00 -0.57 0.00 0.00 31.44 28.58 3g2t n GLU 129 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3g2t h VAL 130 N 4.98 0.58 0.00 2.62 -1.51 -1.85 -2.03 116.25 119.03 3g2t h VAL 130 Ca 0.41 -0.76 -0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3g2t h VAL 130 Cb 0.84 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3g2t h VAL 130 CO 1.43 0.16 -0.00 0.11 -1.23 0.00 0.00 177.57 178.04 3g2t h LYS 131 N 0.00 0.00 -0.26 5.19 1.57 -1.88 -1.63 116.57 119.55 3g2t h LYS 131 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 3g2t h LYS 131 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3g2t h LYS 131 CO 0.02 0.00 -0.46 0.82 -0.57 0.00 0.00 179.45 179.26 3g2t h ILE 132 N 0.00 1.30 -0.17 1.86 2.04 -1.60 -1.18 117.51 119.76 3g2t h ILE 132 Ca -0.00 -1.66 -0.18 0.00 1.00 0.00 0.00 64.86 64.02 3g2t h ILE 132 Cb 0.68 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3g2t h ILE 132 CO 0.00 0.53 -0.62 0.00 0.00 0.00 0.00 178.15 178.06 3g2t h ALA 133 N 0.93 0.59 -0.37 1.87 0.00 -1.57 -1.67 119.26 119.04 3g2t h ALA 133 Ca 0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3g2t h ALA 133 Cb 1.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3g2t h ALA 133 CO 0.10 0.70 0.19 1.49 0.00 0.00 0.00 179.25 181.72 3g2t h GLU 134 N 0.45 0.53 -0.35 0.00 4.81 -1.27 -0.39 114.58 118.35 3g2t h GLU 134 Ca -0.01 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3g2t h GLU 134 Cb 1.19 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 3g2t h GLU 134 CO 0.12 0.47 0.07 0.00 -0.73 0.00 0.00 179.01 178.93 3g2t h ALA 135 N 1.04 0.37 -0.45 2.92 0.00 -1.14 -1.40 119.26 120.60 3g2t h ALA 135 Ca 0.13 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3g2t h ALA 135 Cb 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3g2t h ALA 135 CO -0.02 -0.34 -0.25 -0.92 0.00 0.00 0.00 179.25 177.72 3g2t h TYR 136 N 0.18 1.11 -0.39 0.00 3.20 -1.10 -1.46 116.97 118.51 3g2t h TYR 136 Ca 0.17 -0.28 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 3g2t h TYR 136 Cb 0.20 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3g2t h TYR 136 CO -0.19 1.10 0.03 0.37 -1.64 0.00 0.00 178.16 177.82 3g2t h GLN 137 N 0.82 0.61 -0.51 1.82 5.75 -0.99 -1.93 115.11 120.69 3g2t h GLN 137 Ca 0.10 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3g2t h GLN 137 Cb 0.83 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 3g2t h GLN 137 CO 0.07 0.62 0.19 1.98 -2.65 0.00 0.00 178.83 179.04 3g2t h MET 138 N 0.59 0.78 -0.29 1.69 4.05 -0.96 -1.54 114.93 119.24 3g2t h MET 138 Ca 0.13 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 3g2t h MET 138 Cb 0.33 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 3g2t h MET 138 CO 0.01 0.70 -0.06 -0.07 0.23 0.00 0.00 176.91 177.72 3g2t h LEU 139 N 0.69 0.44 -0.28 3.39 3.38 -0.94 -0.37 115.31 121.62 3g2t h LEU 139 Ca 0.17 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3g2t h LEU 139 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3g2t h LEU 139 CO -0.01 0.55 0.09 0.11 0.09 0.00 0.00 178.44 179.28 3g2t h LYS 140 N 0.44 0.43 -0.46 1.13 1.57 -1.21 0.15 116.57 118.61 3g2t h LYS 140 Ca 0.09 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3g2t h LYS 140 Cb 0.39 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3g2t h LYS 140 CO 0.02 0.48 0.02 0.87 -0.57 0.00 0.00 179.45 180.27 3g2t h LYS 141 N 0.29 0.74 -0.00 3.15 1.57 -0.17 -2.18 116.57 119.98 3g2t h LYS 141 Ca 0.09 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3g2t h LYS 141 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3g2t h LYS 141 CO -0.00 0.74 -0.10 1.04 -0.57 0.00 0.00 179.45 180.55 3g2t n GLN 142 N -4.24 0.72 -0.43 3.15 1.13 -0.27 -4.91 117.38 112.54 3g2t n GLN 142 Ca 0.03 -0.25 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 3g2t n GLN 142 Cb 0.28 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.13 3g2t n GLN 142 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g2t n GLY 143 N 1.27 0.77 0.14 1.08 0.00 -0.82 -4.95 105.19 102.68 3g2t n GLY 143 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 3g2t n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g2t h ILE 144 N 0.00 1.42 -2.82 -0.61 5.03 -0.95 -3.35 117.51 116.23 3g2t h ILE 144 Ca 0.00 -1.83 -0.65 0.00 -0.12 0.00 0.00 64.86 62.26 3g2t h ILE 144 Cb 0.00 2.39 -0.16 0.00 -3.03 0.00 0.00 36.82 36.02 3g2t h ILE 144 CO 0.00 0.53 0.38 -0.69 -0.68 0.00 0.00 178.15 177.69 3g2t s VAL 145 N -3.53 4.51 0.00 1.67 1.01 -0.82 -4.98 120.40 118.26 3g2t s VAL 145 Ca -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3g2t s VAL 145 Cb 0.04 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.83 3g2t s VAL 145 CO 0.79 -1.28 0.00 1.17 0.00 0.00 0.00 175.10 175.78