#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u h SER 2 N 0.00 0.00 -5.11 7.83 0.02 -2.10 -3.44 113.55 110.75 2g0u h SER 2 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2g0u h SER 2 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2g0u h SER 2 CO 0.00 0.04 -0.28 0.54 -1.14 0.00 0.00 176.83 175.99 2g0u s ASN 3 N -5.65 -0.01 0.73 3.07 4.22 -1.26 -5.18 114.94 110.86 2g0u s ASN 3 Ca -0.03 -0.47 -0.11 0.00 -2.14 0.00 0.00 52.86 50.11 2g0u s ASN 3 Cb 0.12 0.37 0.03 0.00 1.28 0.00 0.00 41.25 43.05 2g0u s ASN 3 CO 0.51 -0.73 1.07 -2.16 -2.04 0.00 0.00 177.10 173.75 2g0u s PRO 4 N -3.55 2.68 0.35 3.55 0.04 -1.26 -4.98 135.00 131.82 2g0u s PRO 4 Ca 0.02 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.10 2g0u s PRO 4 Cb 0.03 -1.96 0.79 0.00 0.04 0.00 0.00 34.50 33.40 2g0u s PRO 4 CO -0.10 -1.28 1.87 -1.35 0.04 0.00 0.00 177.00 176.18 2g0u h PRO 5 N -0.85 0.70 -5.01 0.56 0.11 -2.00 -3.46 132.00 122.05 2g0u h PRO 5 Ca -0.44 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 2g0u h PRO 5 Cb 1.22 -0.16 -0.18 0.00 0.11 0.00 0.00 31.00 32.00 2g0u h PRO 5 CO 0.56 0.46 -0.73 0.95 -0.21 0.00 0.00 178.00 179.03 2g0u s THR 6 N -5.70 0.99 0.32 -1.15 -4.23 -1.26 -5.06 115.64 99.54 2g0u s THR 6 Ca -0.10 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 2g0u s THR 6 Cb 0.22 -1.40 0.27 0.00 1.34 0.00 0.00 72.50 72.94 2g0u s THR 6 CO 0.79 -0.55 1.97 -0.65 -0.54 0.00 0.00 174.62 175.64 2g0u h PRO 7 N 3.53 0.95 -0.62 3.99 0.11 -2.00 -3.07 132.00 134.89 2g0u h PRO 7 Ca -0.38 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.69 2g0u h PRO 7 Cb 1.19 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2g0u h PRO 7 CO 0.53 0.63 0.41 1.25 -0.21 0.00 0.00 178.00 180.61 2g0u h LEU 8 N 0.97 0.71 0.00 2.35 5.85 -1.99 -1.33 115.31 121.87 2g0u h LEU 8 Ca 0.30 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2g0u h LEU 8 Cb 0.01 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2g0u h LEU 8 CO -0.08 0.51 0.00 0.18 -0.34 0.00 0.00 178.44 178.71 2g0u n LEU 9 N -4.44 0.00 0.00 2.25 4.77 -1.16 -2.43 117.00 115.99 2g0u n LEU 9 Ca 0.06 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2g0u n LEU 9 Cb 0.04 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2g0u n LEU 9 CO 0.36 -0.18 0.34 0.00 -1.33 0.00 0.00 177.39 176.58 2g0u n ALA 10 N -1.27 1.52 0.53 -1.18 0.00 -0.54 -4.80 120.51 114.76 2g0u n ALA 10 Ca 0.05 -0.68 0.10 0.00 0.00 0.00 0.00 53.44 52.91 2g0u n ALA 10 Cb 0.08 0.00 0.42 0.00 0.00 0.00 0.00 19.45 19.96 2g0u n ALA 10 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2g0u n ASP 11 N -0.22 0.34 -3.93 0.00 2.03 -0.93 -4.84 116.55 109.00 2g0u n ASP 11 Ca 0.00 0.57 -0.09 0.00 0.52 0.00 0.00 54.79 55.79 2g0u n ASP 11 Cb 0.31 -0.65 -0.07 0.00 -0.72 0.00 0.00 41.12 39.99 2g0u n ASP 11 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2g0u s TYR 12 N -3.13 0.32 0.00 -0.67 1.13 -1.26 -5.08 117.35 108.66 2g0u s TYR 12 Ca 0.07 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 55.01 2g0u s TYR 12 Cb 0.11 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 2g0u s TYR 12 CO 0.38 -0.63 0.00 -1.91 -2.51 0.00 0.00 175.55 170.88 2g0u n GLU 13 N -0.14 0.00 0.00 -3.49 0.00 -1.26 -4.99 120.64 110.75 2g0u n GLU 13 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 2g0u n GLU 13 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 31.44 31.94 2g0u n GLU 13 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 2g0u n TRP 14 N -1.66 0.00 0.17 4.31 -0.00 -1.26 -4.90 117.44 114.11 2g0u n TRP 14 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.67 2g0u n TRP 14 Cb 0.00 0.00 0.79 0.00 -0.00 0.00 0.00 31.31 32.10 2g0u n TRP 14 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2g0u h SER 15 N 0.00 0.00 -0.89 5.87 0.87 -1.98 -1.35 113.55 116.07 2g0u h SER 15 Ca 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.78 2g0u h SER 15 Cb 0.18 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.08 2g0u h SER 15 CO 0.00 0.00 0.61 1.23 -0.53 0.00 0.00 176.83 178.14 2g0u h GLY 16 N 0.00 0.57 1.25 5.77 0.00 -2.02 -1.08 103.07 107.56 2g0u h GLY 16 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2g0u h GLY 16 CO -0.00 -0.01 0.46 -1.82 0.00 0.00 0.00 176.54 175.16 2g0u h TYR 17 N 0.25 0.97 -0.06 5.60 5.03 -1.65 -2.84 116.97 124.28 2g0u h TYR 17 Ca 0.46 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.65 2g0u h TYR 17 Cb 1.37 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 2g0u h TYR 17 CO -0.00 0.64 -0.51 -0.07 -1.32 0.00 0.00 178.16 176.89 2g0u h LEU 18 N 1.02 0.16 -1.53 2.82 3.38 -1.38 -2.59 115.31 117.20 2g0u h LEU 18 Ca 0.27 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2g0u h LEU 18 Cb -0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2g0u h LEU 18 CO -0.05 0.65 0.32 0.74 0.09 0.00 0.00 178.44 180.19 2g0u h THR 19 N 0.12 1.12 -0.32 0.22 2.02 -1.45 0.80 112.91 115.42 2g0u h THR 19 Ca 0.00 -0.22 0.09 0.00 0.77 0.00 0.00 66.41 67.05 2g0u h THR 19 Cb 0.95 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2g0u h THR 19 CO 0.07 0.12 0.24 1.23 0.37 0.00 0.00 175.52 177.56 2g0u h GLY 20 N 0.65 0.00 0.00 2.16 0.00 -1.42 -2.66 103.07 101.80 2g0u h GLY 20 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.29 2g0u h GLY 20 CO -0.04 0.00 -1.82 4.51 0.00 0.00 0.00 176.54 179.19 2g0u n ILE 21 N -4.33 0.82 0.03 2.60 0.13 -0.99 -4.58 119.36 113.03 2g0u n ILE 21 Ca 0.05 -0.51 0.06 0.00 -1.10 0.00 0.00 62.75 61.25 2g0u n ILE 21 Cb 0.41 -0.68 0.47 0.00 -0.84 0.00 0.00 39.64 39.00 2g0u n ILE 21 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 2g0u h GLY 22 N 2.35 0.48 2.00 4.50 0.00 -0.75 -2.43 103.07 109.21 2g0u h GLY 22 Ca -0.32 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2g0u h GLY 22 CO 0.02 0.16 0.00 -2.13 0.00 0.00 0.00 176.54 174.59 2g0u n ARG 23 N -4.48 0.10 0.30 4.80 3.00 -1.01 -3.98 116.66 115.39 2g0u n ARG 23 Ca 0.03 0.54 0.18 0.00 -0.00 0.00 0.00 57.85 58.60 2g0u n ARG 23 Cb 0.11 -1.80 0.94 0.00 0.00 0.00 0.00 32.46 31.71 2g0u n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2g0u h ALA 24 N 2.08 1.12 0.00 5.13 0.00 -1.73 -0.85 119.26 125.01 2g0u h ALA 24 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2g0u h ALA 24 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2g0u h ALA 24 CO 0.00 -0.12 -0.11 0.27 0.00 0.00 0.00 179.25 179.28 2g0u h PHE 25 N 0.00 0.00 -0.00 0.00 -0.00 -1.85 -3.27 116.94 111.82 2g0u h PHE 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2g0u h PHE 25 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.21 2g0u h PHE 25 CO 0.00 0.11 -0.05 -3.47 -0.00 0.00 0.00 178.31 174.90 2g0u n ASP 26 N -3.32 0.29 0.22 -0.68 2.03 -0.32 -4.48 116.55 110.29 2g0u n ASP 26 Ca -0.00 -0.56 0.18 0.00 0.52 0.00 0.00 54.79 54.92 2g0u n ASP 26 Cb 0.33 -0.12 0.85 0.00 -0.72 0.00 0.00 41.12 41.46 2g0u n ASP 26 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2g0u h ASP 27 N 0.38 0.00 -0.06 1.67 2.03 -1.75 0.20 116.42 118.90 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2g0u h ASP 27 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 2g0u h ASP 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2g0u n GLY 28 N -1.37 0.76 0.00 7.15 0.00 -1.26 -4.21 105.19 106.26 2g0u n GLY 28 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2g0u n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2g0u n VAL 29 N 1.02 0.00 -0.18 1.61 0.31 0.06 -4.71 118.33 116.43 2g0u n VAL 29 Ca 0.16 -0.39 0.28 0.00 -0.01 0.00 0.00 64.34 64.38 2g0u n VAL 29 Cb 0.53 1.08 0.71 0.00 -0.91 0.00 0.00 33.84 35.25 2g0u n VAL 29 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2g0u h LYS 30 N 0.00 0.02 -0.03 5.55 3.64 -0.88 0.04 116.57 124.90 2g0u h LYS 30 Ca 0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2g0u h LYS 30 Cb 0.04 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2g0u h LYS 30 CO 0.00 0.01 -0.15 0.22 -2.27 0.00 0.00 179.45 177.26 2g0u h ASP 31 N 0.02 -0.45 0.05 4.20 1.82 -1.84 -0.33 116.42 119.88 2g0u h ASP 31 Ca 0.43 0.07 -0.15 0.00 -0.39 0.00 0.00 57.03 56.99 2g0u h ASP 31 Cb 1.68 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.88 2g0u h ASP 31 CO -0.01 -0.21 -0.50 0.25 -1.61 0.00 0.00 179.24 177.16 2g0u h LEU 32 N -0.24 0.55 -0.95 2.28 6.46 -1.38 -1.20 115.31 120.83 2g0u h LEU 32 Ca 0.06 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2g0u h LEU 32 Cb 0.32 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 2g0u h LEU 32 CO -0.17 0.96 0.61 0.78 -0.62 0.00 0.00 178.44 179.99 2g0u h ASN 33 N 0.40 1.11 -0.25 1.25 2.35 -1.11 -0.80 115.58 118.52 2g0u h ASN 33 Ca 0.02 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 2g0u h ASN 33 Cb 1.01 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 2g0u h ASN 33 CO 0.09 0.82 -0.29 0.50 -1.65 0.00 0.00 177.43 176.91 2g0u h LYS 34 N 1.29 0.76 -0.72 0.81 3.64 -0.63 0.92 116.57 122.63 2g0u h LYS 34 Ca 0.34 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2g0u h LYS 34 Cb -0.11 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2g0u h LYS 34 CO -0.07 0.95 0.47 1.96 -2.27 0.00 0.00 179.45 180.49 2g0u h GLN 35 N 0.65 0.95 -0.18 1.90 4.20 -0.95 -0.36 115.11 121.32 2g0u h GLN 35 Ca 0.08 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 2g0u h GLN 35 Cb 0.81 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 2g0u h GLN 35 CO 0.07 0.64 -0.63 1.25 -0.67 0.00 0.00 178.83 179.49 2g0u h LEU 36 N 0.98 0.71 -1.01 1.46 5.85 -0.91 -1.13 115.31 121.25 2g0u h LEU 36 Ca 0.26 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 2g0u h LEU 36 Cb -0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 2g0u h LEU 36 CO -0.06 1.16 -0.19 -0.61 -0.34 0.00 0.00 178.44 178.40 2g0u h GLN 37 N 0.46 0.48 -0.46 1.25 -0.00 -0.72 0.49 115.11 116.60 2g0u h GLN 37 Ca -0.01 -0.16 -0.08 0.00 -0.00 0.00 0.00 58.65 58.40 2g0u h GLN 37 Cb 1.21 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.63 2g0u h GLN 37 CO 0.12 0.66 -0.04 0.22 0.00 0.00 0.00 178.83 179.78 2g0u h ASP 38 N 0.44 0.77 -0.24 -0.69 3.58 -0.89 0.12 116.42 119.50 2g0u h ASP 38 Ca 0.07 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2g0u h ASP 38 Cb 0.58 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2g0u h ASP 38 CO 0.04 0.86 0.15 0.00 -2.88 0.00 0.00 179.24 177.41 2g0u h ALA 39 N 1.22 0.30 0.00 -0.78 0.00 -0.70 -1.45 119.26 117.86 2g0u h ALA 39 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2g0u h ALA 39 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2g0u h ALA 39 CO 0.03 -0.21 -0.16 0.37 0.00 0.00 0.00 179.25 179.28 2g0u h GLN 40 N 0.31 0.00 0.19 0.00 4.15 -0.56 0.86 115.11 120.06 2g0u h GLN 40 Ca 0.09 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.20 2g0u h GLN 40 Cb -0.01 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.71 2g0u h GLN 40 CO -0.02 0.16 -1.38 0.00 -1.93 0.00 0.00 178.83 175.67 2g0u h ALA 41 N 1.84 -0.03 -0.17 3.38 0.00 -0.60 0.44 119.26 124.12 2g0u h ALA 41 Ca -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 2g0u h ALA 41 Cb 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2g0u h ALA 41 CO 0.02 0.84 -0.13 -0.91 0.00 0.00 0.00 179.25 179.06 2g0u h ASN 42 N 0.11 0.25 0.23 0.00 2.35 -0.88 -0.90 115.58 116.74 2g0u h ASN 42 Ca -0.20 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.34 2g0u h ASN 42 Cb 2.08 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 40.37 2g0u h ASN 42 CO 0.24 0.42 -0.61 0.25 -1.65 0.00 0.00 177.43 176.08 2g0u h LEU 43 N 0.25 0.43 -0.77 1.61 5.85 -0.86 -3.10 115.31 118.71 2g0u h LEU 43 Ca 0.05 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 2g0u h LEU 43 Cb 0.40 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2g0u h LEU 43 CO 0.02 0.93 0.05 0.74 -0.34 0.00 0.00 178.44 179.85 2g0u h THR 44 N 0.28 1.26 -0.21 1.05 2.02 0.96 0.22 112.91 118.48 2g0u h THR 44 Ca -0.01 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 2g0u h THR 44 Cb 1.14 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2g0u h THR 44 CO 0.10 0.38 0.10 0.11 0.37 0.00 0.00 175.52 176.58 2g0u h LYS 45 N 0.91 0.28 -1.69 6.66 1.57 -1.23 -3.37 116.57 119.70 2g0u h LYS 45 Ca 0.18 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.64 2g0u h LYS 45 Cb 0.46 -0.06 -0.28 0.00 0.08 0.00 0.00 32.23 32.43 2g0u h LYS 45 CO 0.02 0.23 -0.63 1.21 -0.57 0.00 0.00 179.45 179.71 2g0u s ASN 46 N -6.86 0.42 0.61 0.86 3.84 -0.80 -5.07 114.94 107.94 2g0u s ASN 46 Ca -0.07 -1.40 0.27 0.00 0.21 0.00 0.00 52.86 51.87 2g0u s ASN 46 Cb 0.17 0.94 1.29 0.00 -0.55 0.00 0.00 41.25 43.10 2g0u s ASN 46 CO 0.71 -0.23 1.71 -0.65 -2.79 0.00 0.00 177.10 175.85 2g0u h PRO 47 N 6.99 0.00 0.00 0.43 0.11 -0.78 -0.55 132.00 138.20 2g0u h PRO 47 Ca 0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 2g0u h PRO 47 Cb 1.09 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.03 2g0u h PRO 47 CO 0.17 0.00 -0.68 -1.13 -0.21 0.00 0.00 178.00 176.15 2g0u n SER 48 N -3.42 1.32 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.03 2g0u n SER 48 Ca 0.10 -2.89 -0.42 0.00 -0.26 0.00 0.00 58.87 55.41 2g0u n SER 48 Cb 0.85 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2g0u n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2g0u s ASP 49 N -2.51 6.42 0.38 4.04 -1.08 -0.22 -4.90 116.67 118.81 2g0u s ASP 49 Ca 0.33 2.76 0.16 0.00 -0.52 0.00 0.00 52.55 55.28 2g0u s ASP 49 Cb 0.34 -2.56 0.75 0.00 -1.46 0.00 0.00 42.92 39.98 2g0u s ASP 49 CO -0.10 -1.01 1.79 1.55 0.52 0.00 0.00 175.17 177.92 2g0u h PRO 50 N 8.69 0.00 0.07 4.34 0.13 -1.97 0.99 132.00 144.25 2g0u h PRO 50 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 2g0u h PRO 50 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 2g0u h PRO 50 CO 0.95 0.38 -1.03 1.15 -0.23 0.00 0.00 178.00 179.22 2g0u h THR 51 N 0.00 1.33 -0.84 1.56 2.02 -1.97 0.12 112.91 115.12 2g0u h THR 51 Ca -0.00 -2.33 0.09 0.00 0.77 0.00 0.00 66.41 64.93 2g0u h THR 51 Cb 0.77 2.64 -0.07 0.00 -1.74 0.00 0.00 68.15 69.75 2g0u h THR 51 CO 0.05 0.70 0.50 0.00 0.37 0.00 0.00 175.52 177.14 2g0u h ALA 52 N 0.30 1.19 0.13 6.16 0.00 -1.83 0.22 119.26 125.43 2g0u h ALA 52 Ca -0.15 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 2g0u h ALA 52 Cb 1.72 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.35 2g0u h ALA 52 CO 0.20 0.15 -1.23 1.25 0.00 0.00 0.00 179.25 179.63 2g0u h LEU 53 N 0.85 0.52 -0.75 0.00 5.85 -0.83 0.20 115.31 121.15 2g0u h LEU 53 Ca 0.39 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2g0u h LEU 53 Cb 0.31 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2g0u h LEU 53 CO -0.23 1.39 0.42 0.00 -0.34 0.00 0.00 178.44 179.69 2g0u h ALA 54 N 0.54 0.96 0.23 1.25 0.00 -0.60 0.10 119.26 121.74 2g0u h ALA 54 Ca -0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2g0u h ALA 54 Cb 1.93 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2g0u h ALA 54 CO 0.21 0.47 -0.11 -0.97 0.00 0.00 0.00 179.25 178.85 2g0u h ASN 55 N 1.04 -0.26 -0.61 0.00 -1.24 -0.48 0.05 115.58 114.08 2g0u h ASN 55 Ca 0.27 -0.18 0.09 0.00 0.71 0.00 0.00 56.30 57.18 2g0u h ASN 55 Cb 0.03 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.07 2g0u h ASN 55 CO -0.04 0.05 0.25 0.22 -1.29 0.00 0.00 177.43 176.62 2g0u h TYR 56 N -0.59 0.44 -0.58 0.67 5.03 -0.93 0.38 116.97 121.40 2g0u h TYR 56 Ca -0.03 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.23 2g0u h TYR 56 Cb 0.43 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 2g0u h TYR 56 CO 0.01 0.14 0.04 1.96 -1.32 0.00 0.00 178.16 179.00 2g0u h GLN 57 N 0.45 0.96 -0.08 1.82 1.08 -0.66 0.14 115.11 118.82 2g0u h GLN 57 Ca 0.30 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2g0u h GLN 57 Cb 0.34 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2g0u h GLN 57 CO -0.28 0.92 -0.02 1.98 -0.95 0.00 0.00 178.83 180.48 2g0u h MET 58 N 0.90 0.16 -0.31 1.46 4.05 -0.59 -0.48 114.93 120.12 2g0u h MET 58 Ca 0.17 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.44 2g0u h MET 58 Cb 0.46 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 2g0u h MET 58 CO 0.02 0.49 -0.19 0.82 0.23 0.00 0.00 176.91 178.28 2g0u h ILE 59 N -0.19 1.26 -0.25 1.77 2.04 -0.89 -2.19 117.51 119.06 2g0u h ILE 59 Ca 0.02 -1.20 -0.12 0.00 1.00 0.00 0.00 64.86 64.56 2g0u h ILE 59 Cb 0.44 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2g0u h ILE 59 CO 0.01 0.39 -0.35 -0.03 0.00 0.00 0.00 178.15 178.17 2g0u h MET 60 N 0.52 0.55 -0.42 2.37 4.05 -0.66 0.23 114.93 121.56 2g0u h MET 60 Ca 0.08 -0.25 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2g0u h MET 60 Cb 0.62 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 2g0u h MET 60 CO 0.04 0.82 0.26 0.77 0.23 0.00 0.00 176.91 179.03 2g0u h SER 61 N 0.46 0.50 -0.44 1.39 0.02 -0.85 -0.28 113.55 114.35 2g0u h SER 61 Ca 0.05 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2g0u h SER 61 Cb 0.82 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2g0u h SER 61 CO 0.07 0.40 -0.11 -0.08 -1.14 0.00 0.00 176.83 175.96 2g0u h GLU 62 N 0.56 0.86 -0.07 3.45 4.57 -1.20 -2.73 114.58 120.02 2g0u h GLU 62 Ca 0.15 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2g0u h GLU 62 Cb -0.02 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 2g0u h GLU 62 CO -0.03 0.97 -0.06 -0.92 -1.18 0.00 0.00 179.01 177.79 2g0u h TYR 63 N 0.70 -0.15 -0.51 0.92 3.20 -0.40 -0.77 116.97 119.96 2g0u h TYR 63 Ca 0.11 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 2g0u h TYR 63 Cb 0.66 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2g0u h TYR 63 CO 0.05 -0.10 -0.02 -0.97 -1.64 0.00 0.00 178.16 175.49 2g0u h ASN 64 N -0.07 0.89 -0.09 -2.11 -1.24 -1.08 -0.25 115.58 111.63 2g0u h ASN 64 Ca 0.05 -0.31 -0.00 0.00 0.71 0.00 0.00 56.30 56.74 2g0u h ASN 64 Cb 0.15 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 38.95 2g0u h ASN 64 CO -0.12 0.99 0.05 0.25 -1.29 0.00 0.00 177.43 177.31 2g0u h LEU 65 N 0.77 0.11 -0.46 0.34 5.85 -1.38 -1.61 115.31 118.93 2g0u h LEU 65 Ca 0.14 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2g0u h LEU 65 Cb 0.54 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2g0u h LEU 65 CO 0.03 0.14 -0.14 0.22 -0.34 0.00 0.00 178.44 178.34 2g0u h TYR 66 N 0.07 1.03 -0.75 1.25 5.03 -1.01 -0.62 116.97 121.96 2g0u h TYR 66 Ca 0.03 -0.23 0.01 0.00 2.58 0.00 0.00 58.73 61.12 2g0u h TYR 66 Cb 0.05 -0.25 -0.04 0.00 1.55 0.00 0.00 36.73 38.05 2g0u h TYR 66 CO -0.05 1.01 0.50 -0.09 -1.32 0.00 0.00 178.16 178.21 2g0u h ARG 67 N 0.75 0.99 -0.04 1.82 2.43 -1.02 0.70 114.38 120.01 2g0u h ARG 67 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2g0u h ARG 67 Cb 0.70 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2g0u h ARG 67 CO 0.05 0.65 0.02 -0.97 -1.51 0.00 0.00 179.97 178.22 2g0u h ASN 68 N 1.02 0.06 0.02 -3.80 -1.24 -1.20 -3.21 115.58 107.23 2g0u h ASN 68 Ca 0.28 -0.14 -0.08 0.00 0.71 0.00 0.00 56.30 57.06 2g0u h ASN 68 Cb -0.12 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2g0u h ASN 68 CO -0.06 0.18 -0.23 0.00 -1.29 0.00 0.00 177.43 176.03 2g0u h ALA 69 N 0.88 1.23 -0.71 1.57 0.00 -0.71 -2.50 119.26 119.03 2g0u h ALA 69 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2g0u h ALA 69 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2g0u h ALA 69 CO -0.00 0.50 0.41 0.37 0.00 0.00 0.00 179.25 180.53 2g0u h GLN 70 N 0.33 0.96 -0.25 0.00 5.75 -0.93 0.13 115.11 121.11 2g0u h GLN 70 Ca 0.05 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2g0u h GLN 70 Cb 0.59 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2g0u h GLN 70 CO 0.04 0.68 0.04 1.03 -2.65 0.00 0.00 178.83 177.97 2g0u h SER 71 N 0.97 0.40 -0.90 -0.69 0.87 -1.45 -2.58 113.55 110.17 2g0u h SER 71 Ca 0.25 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2g0u h SER 71 Cb -0.02 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 2g0u h SER 71 CO -0.05 0.56 0.51 0.28 -0.53 0.00 0.00 176.83 177.60 2g0u h SER 72 N 0.22 1.11 -0.20 6.23 0.02 -1.22 -0.40 113.55 119.30 2g0u h SER 72 Ca 0.07 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2g0u h SER 72 Cb 0.34 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2g0u h SER 72 CO 0.01 0.88 0.00 0.00 -1.14 0.00 0.00 176.83 176.58 2g0u h ALA 73 N 1.30 1.43 -0.02 3.77 0.00 -0.92 -1.46 119.26 123.36 2g0u h ALA 73 Ca 0.32 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2g0u h ALA 73 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2g0u h ALA 73 CO -0.05 0.40 -0.43 0.28 0.00 0.00 0.00 179.25 179.45 2g0u h VAL 74 N 0.46 1.46 -0.96 0.00 2.07 -1.14 -2.48 116.25 115.66 2g0u h VAL 74 Ca 0.10 -1.95 0.12 0.00 0.82 0.00 0.00 66.70 65.79 2g0u h VAL 74 Cb 0.30 2.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.56 2g0u h VAL 74 CO 0.01 0.56 0.61 0.50 0.02 0.00 0.00 177.57 179.27 2g0u h LYS 75 N -0.22 0.88 -0.25 1.57 3.64 -0.85 -3.09 116.57 118.24 2g0u h LYS 75 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2g0u h LYS 75 Cb 1.14 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2g0u h LYS 75 CO 0.09 0.58 0.00 0.43 -2.27 0.00 0.00 179.45 178.28 2g0u n SER 76 N -4.59 2.96 -0.25 4.20 7.64 -0.57 -4.82 113.62 118.19 2g0u n SER 76 Ca 0.18 -2.29 0.05 0.00 1.01 0.00 0.00 58.87 57.82 2g0u n SER 76 Cb 0.37 -0.28 0.18 0.00 -1.01 0.00 0.00 64.21 63.47 2g0u n SER 76 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2g0u h MET 77 N 1.53 0.38 0.00 1.43 4.05 -1.35 -0.28 114.93 120.69 2g0u h MET 77 Ca 0.00 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 2g0u h MET 77 Cb 0.87 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 2g0u h MET 77 CO 0.05 0.25 -0.17 1.57 0.23 0.00 0.00 176.91 178.84 2g0u h LYS 78 N 0.39 0.00 0.19 0.39 2.10 -1.87 -1.36 116.57 116.41 2g0u h LYS 78 Ca 0.40 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.71 2g0u h LYS 78 Cb 0.63 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.97 2g0u h LYS 78 CO -0.42 0.17 -1.71 -0.44 -2.00 0.00 0.00 179.45 175.05 2g0u h ASP 79 N 0.00 0.62 -0.89 7.07 3.32 -1.55 -3.32 116.42 121.68 2g0u h ASP 79 Ca -0.00 -0.93 0.02 0.00 0.02 0.00 0.00 57.03 56.13 2g0u h ASP 79 Cb 0.34 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2g0u h ASP 79 CO 0.02 1.78 0.59 0.40 -1.72 0.00 0.00 179.24 180.30 2g0u h ILE 80 N 0.08 1.19 -0.45 0.35 2.04 -0.92 -0.16 117.51 119.65 2g0u h ILE 80 Ca -0.34 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2g0u h ILE 80 Cb 2.08 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2g0u h ILE 80 CO 0.18 0.21 0.20 -0.78 0.00 0.00 0.00 178.15 177.96 2g0u h ASP 81 N 1.17 0.56 0.48 1.72 3.58 -1.40 -2.44 116.42 120.09 2g0u h ASP 81 Ca 0.34 -0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.49 2g0u h ASP 81 Cb -0.07 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.84 2g0u h ASP 81 CO -0.09 0.50 -1.10 -1.28 -2.88 0.00 0.00 179.24 174.39 2g0u h SER 82 N 0.63 0.49 0.00 2.28 0.87 -1.54 -3.32 113.55 112.94 2g0u h SER 82 Ca 0.16 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2g0u h SER 82 Cb 0.10 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2g0u h SER 82 CO -0.02 1.30 0.00 -1.20 -0.53 0.00 0.00 176.83 176.38 2g0u n SER 83 N -3.65 0.00 -4.64 6.23 7.64 -0.11 -4.94 113.62 114.15 2g0u n SER 83 Ca -0.08 -1.64 -0.41 0.00 1.01 0.00 0.00 58.87 57.76 2g0u n SER 83 Cb 0.93 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.14 2g0u n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g0u n ILE 84 N -0.67 2.58 -1.68 0.44 3.06 -0.99 -4.96 119.36 117.13 2g0u n ILE 84 Ca 0.08 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.47 2g0u n ILE 84 Cb 0.04 -1.27 0.07 0.00 0.54 0.00 0.00 39.64 39.02 2g0u n ILE 84 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2g0u s LEU 85 N -0.97 3.52 0.00 9.51 2.96 -1.26 -4.93 118.68 127.50 2g0u s LEU 85 Ca 0.63 2.55 0.17 0.00 -0.22 0.00 0.00 54.13 57.26 2g0u s LEU 85 Cb -0.53 -4.61 1.01 0.00 0.50 0.00 0.00 46.19 42.55 2g0u s LEU 85 CO 0.56 -2.05 1.47 -0.62 -1.32 0.00 0.00 176.35 174.39 2g0u n GLU 86 N -2.09 0.73 -4.37 1.98 1.02 -1.26 -4.84 120.64 111.82 2g0u n GLU 86 Ca 0.15 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.09 2g0u n GLU 86 Cb 0.49 -1.36 -0.09 0.00 -0.02 0.00 0.00 31.44 30.46 2g0u n GLU 86 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2g0u s HIS 87 N -2.00 1.67 0.20 -0.32 3.76 -1.26 -5.13 115.29 112.21 2g0u s HIS 87 Ca 0.25 -1.40 -0.33 0.00 -0.15 0.00 0.00 55.06 53.44 2g0u s HIS 87 Cb 0.12 -0.90 -0.14 0.00 1.11 0.00 0.00 32.58 32.76 2g0u s HIS 87 CO 0.19 -0.53 1.45 -2.39 -0.85 0.00 0.00 174.74 172.62 2g0u n HIS 88 N -0.66 2.11 -1.58 1.40 1.44 -1.26 -4.98 115.22 111.69 2g0u n HIS 88 Ca 0.01 0.41 -0.31 0.00 -2.01 0.00 0.00 57.72 55.81 2g0u n HIS 88 Cb 0.64 -2.47 0.05 0.00 0.12 0.00 0.00 29.99 28.34 2g0u n HIS 88 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2g0u s HIS 89 N 0.30 3.12 0.44 -1.40 2.46 -1.26 -5.03 115.29 113.91 2g0u s HIS 89 Ca 0.73 1.42 -0.26 0.00 0.47 0.00 0.00 55.06 57.42 2g0u s HIS 89 Cb -0.69 -2.88 -0.09 0.00 -0.13 0.00 0.00 32.58 28.79 2g0u s HIS 89 CO 0.46 -1.23 1.44 0.72 -2.47 0.00 0.00 174.74 173.66 2g0u n HIS 90 N -3.12 2.75 -3.84 3.88 8.25 -1.26 -5.03 115.22 116.85 2g0u n HIS 90 Ca 0.08 0.44 -0.08 0.00 -0.26 0.00 0.00 57.72 57.90 2g0u n HIS 90 Cb 0.53 -2.47 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 2g0u n HIS 90 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2g0u s HIS 91 N -1.18 -0.12 0.00 4.41 -3.43 -1.26 -5.27 115.29 108.43 2g0u s HIS 91 Ca 0.60 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 2g0u s HIS 91 Cb -0.45 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 2g0u s HIS 91 CO 0.59 -1.15 0.00 1.58 -2.00 0.00 0.00 174.74 173.75