#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u s SER 2 N 0.00 6.60 0.70 6.12 0.01 -1.26 -5.04 113.70 120.83 2g0u s SER 2 Ca 0.00 2.79 -0.14 0.00 1.31 0.00 0.00 55.95 59.91 2g0u s SER 2 Cb 0.00 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.60 2g0u s SER 2 CO 0.00 -0.67 1.12 0.54 0.41 0.00 0.00 173.24 174.65 2g0u s ASN 3 N -0.42 4.78 0.71 2.44 4.22 -1.26 -5.06 114.94 120.36 2g0u s ASN 3 Ca 0.51 2.02 -0.11 0.00 -2.14 0.00 0.00 52.86 53.14 2g0u s ASN 3 Cb -0.41 -2.55 0.02 0.00 1.28 0.00 0.00 41.25 39.58 2g0u s ASN 3 CO 0.55 -1.85 1.07 -2.16 -2.04 0.00 0.00 177.10 172.67 2g0u s PRO 4 N -4.24 2.74 0.75 3.55 0.04 -1.26 -5.05 135.00 131.53 2g0u s PRO 4 Ca 0.67 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 2g0u s PRO 4 Cb -0.21 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.41 2g0u s PRO 4 CO 0.45 -1.26 1.09 -1.25 0.04 0.00 0.00 177.00 176.08 2g0u s PRO 5 N -4.92 2.37 0.05 0.56 0.04 -1.26 -5.10 135.00 126.74 2g0u s PRO 5 Ca 0.59 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2g0u s PRO 5 Cb -0.15 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2g0u s PRO 5 CO 0.54 -1.55 -0.03 0.95 0.04 0.00 0.00 177.00 176.95 2g0u s THR 6 N -2.86 0.22 0.87 1.26 -4.23 -1.26 -5.16 115.64 104.47 2g0u s THR 6 Ca 0.61 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 2g0u s THR 6 Cb -0.17 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.37 2g0u s THR 6 CO 0.54 -0.92 0.60 -2.65 -0.54 0.00 0.00 174.62 171.66 2g0u n PRO 7 N 0.34 -0.09 -1.22 3.99 -0.02 -1.26 -4.99 135.00 131.76 2g0u n PRO 7 Ca -0.16 0.03 -0.05 0.00 -2.02 0.00 0.00 63.50 61.30 2g0u n PRO 7 Cb 0.60 -1.97 0.13 0.00 -0.02 0.00 0.00 33.50 32.24 2g0u n PRO 7 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2g0u n LEU 8 N -1.54 3.43 0.23 2.45 4.77 -1.26 -4.87 117.00 120.21 2g0u n LEU 8 Ca 0.09 -4.12 0.16 0.00 -0.03 0.00 0.00 56.01 52.11 2g0u n LEU 8 Cb 0.52 -0.41 0.79 0.00 -2.33 0.00 0.00 43.42 41.99 2g0u n LEU 8 CO 0.50 1.62 0.97 0.25 -1.33 0.00 0.00 177.39 179.41 2g0u h LEU 9 N 1.48 0.00 -7.81 2.23 5.85 -1.97 -3.43 115.31 111.65 2g0u h LEU 9 Ca 0.12 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2g0u h LEU 9 Cb 1.24 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.14 2g0u h LEU 9 CO 0.29 0.00 -0.30 0.00 -0.34 0.00 0.00 178.44 178.08 2g0u s ALA 10 N -3.72 -0.29 0.59 1.25 0.00 -1.26 -4.99 121.76 113.33 2g0u s ALA 10 Ca -0.02 -0.59 0.29 0.00 0.00 0.00 0.00 51.96 51.64 2g0u s ALA 10 Cb 0.09 0.62 1.76 0.00 0.00 0.00 0.00 23.12 25.59 2g0u s ALA 10 CO 0.35 -0.57 2.23 -0.44 0.00 0.00 0.00 175.76 177.32 2g0u h ASP 11 N 2.63 0.00 0.00 0.00 3.32 -2.00 -1.77 116.42 118.60 2g0u h ASP 11 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2g0u h ASP 11 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2g0u h ASP 11 CO 0.52 0.00 0.04 1.88 -1.72 0.00 0.00 179.24 179.96 2g0u h TYR 12 N 0.00 0.00 -0.01 4.55 0.05 -1.97 -1.04 116.97 118.55 2g0u h TYR 12 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2g0u h TYR 12 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2g0u h TYR 12 CO 0.00 0.00 -0.30 0.39 -1.05 0.00 0.00 178.16 177.20 2g0u n GLU 13 N -2.92 0.98 0.00 4.88 -0.58 -0.66 -4.42 120.64 117.91 2g0u n GLU 13 Ca -0.03 -0.65 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 2g0u n GLU 13 Cb 0.10 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2g0u n GLU 13 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 2g0u n TRP 14 N -0.44 0.00 0.12 -0.32 -0.00 -0.45 -4.84 117.44 111.50 2g0u n TRP 14 Ca 0.12 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.81 2g0u n TRP 14 Cb 0.38 0.00 0.77 0.00 -0.00 0.00 0.00 31.31 32.45 2g0u n TRP 14 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2g0u h SER 15 N 0.00 0.00 0.27 5.87 4.64 -1.62 -0.91 113.55 121.80 2g0u h SER 15 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2g0u h SER 15 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2g0u h SER 15 CO 0.00 0.00 -0.22 1.23 -0.87 0.00 0.00 176.83 176.97 2g0u h GLY 16 N 0.00 0.00 1.15 -0.77 0.00 -1.90 -2.83 103.07 98.73 2g0u h GLY 16 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.20 2g0u h GLY 16 CO -0.00 0.00 -1.59 -0.97 0.00 0.00 0.00 176.54 173.98 2g0u h TYR 17 N 0.00 0.25 -0.01 5.60 0.05 -1.56 -3.37 116.97 117.93 2g0u h TYR 17 Ca -0.00 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.60 2g0u h TYR 17 Cb 0.41 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 2g0u h TYR 17 CO 0.00 1.26 0.12 1.25 -1.05 0.00 0.00 178.16 179.75 2g0u h LEU 18 N 0.04 0.00 -1.62 3.88 5.85 -1.24 0.26 115.31 122.48 2g0u h LEU 18 Ca -0.25 0.00 0.39 0.00 0.84 0.00 0.00 57.88 58.85 2g0u h LEU 18 Cb 1.99 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.93 2g0u h LEU 18 CO 0.12 0.00 0.88 0.00 -0.34 0.00 0.00 178.44 179.10 2g0u h THR 19 N 0.00 0.28 0.00 1.05 1.03 -1.71 -3.35 112.91 110.21 2g0u h THR 19 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 2g0u h THR 19 Cb 0.25 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.47 2g0u h THR 19 CO -0.00 0.02 0.00 0.61 -0.01 0.00 0.00 175.52 176.14 2g0u n GLY 20 N -1.63 -0.16 0.36 2.99 0.00 -1.07 -4.89 105.19 100.79 2g0u n GLY 20 Ca 0.32 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.49 2g0u n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2g0u h ILE 21 N 0.00 0.84 -1.61 -0.61 1.08 -1.68 -1.94 117.51 113.59 2g0u h ILE 21 Ca 0.00 -0.10 0.49 0.00 -0.39 0.00 0.00 64.86 64.86 2g0u h ILE 21 Cb 0.00 0.53 -0.09 0.00 -3.07 0.00 0.00 36.82 34.19 2g0u h ILE 21 CO 0.00 0.05 1.13 0.61 -0.69 0.00 0.00 178.15 179.25 2g0u n GLY 22 N -1.55 -0.85 0.08 5.37 0.00 0.03 -1.07 105.19 107.19 2g0u n GLY 22 Ca 0.10 0.64 0.01 0.00 0.00 0.00 0.00 46.02 46.77 2g0u n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2g0u n ARG 23 N -3.98 1.56 0.10 1.61 1.85 -0.73 -4.58 116.66 112.49 2g0u n ARG 23 Ca 0.39 -1.20 0.11 0.00 -1.00 0.00 0.00 57.85 56.15 2g0u n ARG 23 Cb 1.69 -1.03 0.45 0.00 -1.05 0.00 0.00 32.46 32.52 2g0u n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2g0u n ALA 24 N -0.20 1.76 1.95 2.89 0.00 -0.24 -1.88 120.51 124.80 2g0u n ALA 24 Ca 0.01 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.56 2g0u n ALA 24 Cb 0.18 -1.37 0.41 0.00 0.00 0.00 0.00 19.45 18.68 2g0u n ALA 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2g0u n PHE 25 N -2.08 0.00 -2.37 0.00 3.72 -1.26 -3.55 117.46 111.93 2g0u n PHE 25 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2g0u n PHE 25 Cb 0.25 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.85 2g0u n PHE 25 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2g0u n ASP 26 N -0.72 1.73 0.27 4.37 8.00 -0.79 -4.98 116.55 124.42 2g0u n ASP 26 Ca 0.10 -2.55 0.17 0.00 0.71 0.00 0.00 54.79 53.22 2g0u n ASP 26 Cb 0.05 -0.40 0.79 0.00 -0.02 0.00 0.00 41.12 41.54 2g0u n ASP 26 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2g0u h ASP 27 N 1.57 0.00 -0.14 -2.24 3.58 -1.65 0.17 116.42 117.70 2g0u h ASP 27 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2g0u h ASP 27 Cb 1.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.58 2g0u h ASP 27 CO 0.18 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.15 2g0u n GLY 28 N -1.30 1.05 0.00 -0.78 0.00 -1.26 -4.39 105.19 98.51 2g0u n GLY 28 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.19 0.00 -0.21 1.61 0.31 0.32 -4.76 118.33 116.80 2g0u n VAL 29 Ca 0.16 -0.22 0.30 0.00 -0.01 0.00 0.00 64.34 64.58 2g0u n VAL 29 Cb 0.56 1.09 0.73 0.00 -0.91 0.00 0.00 33.84 35.30 2g0u n VAL 29 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2g0u h LYS 30 N 0.00 0.01 0.33 5.55 2.10 -1.03 -0.78 116.57 122.75 2g0u h LYS 30 Ca 0.00 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2g0u h LYS 30 Cb 0.05 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 2g0u h LYS 30 CO 0.00 0.00 -0.29 0.22 -2.00 0.00 0.00 179.45 177.39 2g0u h ASP 31 N 0.01 -0.76 -0.12 7.07 1.82 -1.86 0.51 116.42 123.08 2g0u h ASP 31 Ca 0.45 0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 57.03 2g0u h ASP 31 Cb 1.81 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 42.06 2g0u h ASP 31 CO -0.01 -0.42 -0.33 0.25 -1.61 0.00 0.00 179.24 177.12 2g0u h LEU 32 N -0.63 0.64 -1.06 2.28 6.46 -1.54 -0.57 115.31 120.89 2g0u h LEU 32 Ca -0.02 -0.26 -0.07 0.00 -0.12 0.00 0.00 57.88 57.41 2g0u h LEU 32 Cb 0.57 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 2g0u h LEU 32 CO -0.03 0.93 -0.03 -1.13 -0.62 0.00 0.00 178.44 177.55 2g0u h ASN 33 N 0.52 0.60 -0.17 1.25 -0.73 -1.16 -0.98 115.58 114.91 2g0u h ASN 33 Ca 0.06 -0.14 -0.16 0.00 1.87 0.00 0.00 56.30 57.93 2g0u h ASN 33 Cb 0.82 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 39.25 2g0u h ASN 33 CO 0.07 0.69 -0.49 0.50 -0.37 0.00 0.00 177.43 177.83 2g0u h LYS 34 N 0.59 0.74 -0.80 6.67 3.64 -0.42 0.51 116.57 127.50 2g0u h LYS 34 Ca 0.12 -0.44 0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2g0u h LYS 34 Cb 0.42 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 2g0u h LYS 34 CO 0.02 1.06 0.52 1.96 -2.27 0.00 0.00 179.45 180.74 2g0u h GLN 35 N 0.59 0.98 -0.21 1.90 4.20 -0.89 -0.21 115.11 121.47 2g0u h GLN 35 Ca 0.03 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.50 2g0u h GLN 35 Cb 1.06 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 2g0u h GLN 35 CO 0.10 0.65 -0.60 1.25 -0.67 0.00 0.00 178.83 179.56 2g0u h LEU 36 N 1.01 0.78 -1.11 1.46 5.85 -1.04 -0.99 115.31 121.27 2g0u h LEU 36 Ca 0.32 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 2g0u h LEU 36 Cb -0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2g0u h LEU 36 CO -0.11 1.19 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.52 2g0u h GLN 37 N 0.51 0.57 -0.58 1.25 4.15 -0.73 0.77 115.11 121.06 2g0u h GLN 37 Ca -0.00 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.17 2g0u h GLN 37 Cb 1.18 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 2g0u h GLN 37 CO 0.12 0.63 -0.03 0.22 -1.93 0.00 0.00 178.83 177.84 2g0u h ASP 38 N 0.53 1.02 -0.45 -0.69 3.58 -0.88 -0.31 116.42 119.22 2g0u h ASP 38 Ca 0.11 -0.30 0.03 0.00 0.42 0.00 0.00 57.03 57.29 2g0u h ASP 38 Cb 0.42 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 2g0u h ASP 38 CO 0.02 1.09 0.24 0.00 -2.88 0.00 0.00 179.24 177.71 2g0u h ALA 39 N 1.01 0.56 0.00 -0.78 0.00 -0.68 -0.56 119.26 118.81 2g0u h ALA 39 Ca 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2g0u h ALA 39 Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2g0u h ALA 39 CO 0.03 -0.11 -0.15 0.37 0.00 0.00 0.00 179.25 179.40 2g0u h GLN 40 N 0.47 0.00 0.17 0.00 4.15 -0.60 0.10 115.11 119.40 2g0u h GLN 40 Ca 0.19 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.31 2g0u h GLN 40 Cb 0.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.78 2g0u h GLN 40 CO -0.12 0.15 -1.34 0.00 -1.93 0.00 0.00 178.83 175.59 2g0u h ALA 41 N 1.85 0.02 -0.51 3.38 0.00 -0.51 0.42 119.26 123.91 2g0u h ALA 41 Ca -0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 54.91 53.99 2g0u h ALA 41 Cb 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2g0u h ALA 41 CO 0.02 0.90 0.21 -0.91 0.00 0.00 0.00 179.25 179.47 2g0u h ASN 42 N 0.10 0.65 -0.03 0.00 -0.26 -0.62 -1.17 115.58 114.25 2g0u h ASN 42 Ca -0.18 -0.07 -0.15 0.00 -0.56 0.00 0.00 56.30 55.34 2g0u h ASN 42 Cb 2.04 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 39.12 2g0u h ASN 42 CO 0.22 0.59 -0.47 0.25 -1.06 0.00 0.00 177.43 176.96 2g0u h LEU 43 N 0.72 0.62 -0.98 1.61 5.85 -0.84 -3.17 115.31 119.13 2g0u h LEU 43 Ca 0.18 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2g0u h LEU 43 Cb 0.13 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2g0u h LEU 43 CO -0.02 1.00 0.22 0.74 -0.34 0.00 0.00 178.44 180.03 2g0u h THR 44 N 0.46 1.23 -0.16 1.05 2.02 0.91 0.21 112.91 118.63 2g0u h THR 44 Ca 0.03 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 2g0u h THR 44 Cb 0.99 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2g0u h THR 44 CO 0.09 0.30 0.02 0.11 0.37 0.00 0.00 175.52 176.42 2g0u h LYS 45 N 0.93 0.23 -1.66 6.66 1.57 -1.27 -3.37 116.57 119.65 2g0u h LYS 45 Ca 0.21 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.69 2g0u h LYS 45 Cb 0.24 -0.04 -0.27 0.00 0.08 0.00 0.00 32.23 32.23 2g0u h LYS 45 CO -0.01 0.23 -0.62 1.21 -0.57 0.00 0.00 179.45 179.69 2g0u s ASN 46 N -6.90 0.33 0.61 0.86 3.84 -0.71 -5.07 114.94 107.90 2g0u s ASN 46 Ca -0.06 -1.35 0.27 0.00 0.21 0.00 0.00 52.86 51.93 2g0u s ASN 46 Cb 0.17 0.99 1.28 0.00 -0.55 0.00 0.00 41.25 43.14 2g0u s ASN 46 CO 0.71 -0.23 1.70 -0.65 -2.79 0.00 0.00 177.10 175.84 2g0u h PRO 47 N 7.02 0.00 0.00 0.43 0.11 -0.80 -0.56 132.00 138.20 2g0u h PRO 47 Ca 0.05 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 2g0u h PRO 47 Cb 1.09 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.05 2g0u h PRO 47 CO 0.17 0.00 -0.66 -1.13 -0.21 0.00 0.00 178.00 176.17 2g0u n SER 48 N -3.44 1.33 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.03 2g0u n SER 48 Ca 0.11 -2.89 -0.42 0.00 -0.26 0.00 0.00 58.87 55.41 2g0u n SER 48 Cb 0.89 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.49 6.41 0.44 4.04 -1.08 -0.22 -4.90 116.67 118.88 2g0u s ASP 49 Ca 0.32 2.77 0.24 0.00 -0.52 0.00 0.00 52.55 55.36 2g0u s ASP 49 Cb 0.33 -2.56 0.97 0.00 -1.46 0.00 0.00 42.92 40.20 2g0u s ASP 49 CO -0.09 -1.02 1.85 1.55 0.52 0.00 0.00 175.17 177.98 2g0u h PRO 50 N 8.82 0.00 0.25 4.34 0.13 -1.96 0.14 132.00 143.71 2g0u h PRO 50 Ca -0.47 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.33 2g0u h PRO 50 Cb 1.22 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.39 2g0u h PRO 50 CO 0.95 0.23 -1.50 1.15 -0.23 0.00 0.00 178.00 178.61 2g0u h THR 51 N 0.00 1.27 -0.83 1.56 2.02 -1.97 0.72 112.91 115.68 2g0u h THR 51 Ca -0.00 -2.70 0.06 0.00 0.77 0.00 0.00 66.41 64.53 2g0u h THR 51 Cb 0.70 3.03 -0.06 0.00 -1.74 0.00 0.00 68.15 70.08 2g0u h THR 51 CO 0.03 0.82 0.51 0.00 0.37 0.00 0.00 175.52 177.25 2g0u h ALA 52 N 0.17 1.13 0.10 6.16 0.00 -1.82 0.22 119.26 125.22 2g0u h ALA 52 Ca -0.26 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 2g0u h ALA 52 Cb 2.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2g0u h ALA 52 CO 0.27 0.26 -1.16 1.25 0.00 0.00 0.00 179.25 179.87 2g0u h LEU 53 N 0.94 0.45 -0.74 0.00 5.85 -0.79 0.18 115.31 121.20 2g0u h LEU 53 Ca 0.36 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2g0u h LEU 53 Cb 0.15 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2g0u h LEU 53 CO -0.17 1.32 0.36 0.00 -0.34 0.00 0.00 178.44 179.61 2g0u h ALA 54 N 0.63 0.95 0.31 1.25 0.00 -0.69 0.11 119.26 121.82 2g0u h ALA 54 Ca -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2g0u h ALA 54 Cb 1.86 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2g0u h ALA 54 CO 0.19 0.52 -0.15 -0.97 0.00 0.00 0.00 179.25 178.84 2g0u h ASN 55 N 1.04 -0.36 -0.61 0.00 -1.24 -0.44 0.68 115.58 114.65 2g0u h ASN 55 Ca 0.25 -0.14 0.08 0.00 0.71 0.00 0.00 56.30 57.21 2g0u h ASN 55 Cb 0.12 0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.19 2g0u h ASN 55 CO -0.03 -0.05 0.26 0.22 -1.29 0.00 0.00 177.43 176.53 2g0u h TYR 56 N -0.68 0.46 -0.52 0.67 5.03 -0.96 0.42 116.97 121.40 2g0u h TYR 56 Ca -0.04 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.22 2g0u h TYR 56 Cb 0.47 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 2g0u h TYR 56 CO 0.01 0.16 0.02 1.96 -1.32 0.00 0.00 178.16 178.98 2g0u h GLN 57 N 0.47 0.86 -0.07 1.82 1.08 -0.65 0.16 115.11 118.79 2g0u h GLN 57 Ca 0.30 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2g0u h GLN 57 Cb 0.32 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2g0u h GLN 57 CO -0.27 0.85 -0.03 1.98 -0.95 0.00 0.00 178.83 180.42 2g0u h MET 58 N 0.81 0.14 -0.33 1.46 4.05 -0.42 0.25 114.93 120.87 2g0u h MET 58 Ca 0.16 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.43 2g0u h MET 58 Cb 0.46 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 2g0u h MET 58 CO 0.02 0.51 -0.15 0.82 0.23 0.00 0.00 176.91 178.34 2g0u h ILE 59 N -0.24 1.25 -0.19 1.77 2.04 -0.89 -2.20 117.51 119.05 2g0u h ILE 59 Ca 0.01 -1.13 -0.13 0.00 1.00 0.00 0.00 64.86 64.62 2g0u h ILE 59 Cb 0.47 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2g0u h ILE 59 CO 0.01 0.37 -0.42 -0.03 0.00 0.00 0.00 178.15 178.09 2g0u h MET 60 N 0.54 0.45 -0.52 2.37 4.05 -0.61 0.19 114.93 121.41 2g0u h MET 60 Ca 0.09 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 2g0u h MET 60 Cb 0.57 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2g0u h MET 60 CO 0.04 0.79 0.28 0.77 0.23 0.00 0.00 176.91 179.02 2g0u h SER 61 N 0.37 0.65 -0.31 1.39 0.02 -0.66 0.63 113.55 115.64 2g0u h SER 61 Ca 0.03 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 2g0u h SER 61 Cb 0.89 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2g0u h SER 61 CO 0.07 0.55 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.99 2g0u h GLU 62 N 0.69 0.54 -0.04 3.45 4.39 -1.22 -2.74 114.58 119.65 2g0u h GLU 62 Ca 0.18 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.73 2g0u h GLU 62 Cb 0.05 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2g0u h GLU 62 CO -0.03 0.68 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.48 2g0u h TYR 63 N 0.34 -0.26 -0.32 4.33 3.20 -0.46 -1.56 116.97 122.24 2g0u h TYR 63 Ca 0.09 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.80 2g0u h TYR 63 Cb 0.44 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 2g0u h TYR 63 CO 0.04 -0.16 -0.45 -0.97 -1.64 0.00 0.00 178.16 174.97 2g0u h ASN 64 N -0.16 0.95 -0.10 -2.11 -0.73 -0.92 0.10 115.58 112.61 2g0u h ASN 64 Ca 0.05 -0.50 -0.01 0.00 1.87 0.00 0.00 56.30 57.71 2g0u h ASN 64 Cb 0.23 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.55 2g0u h ASN 64 CO -0.14 1.27 0.02 0.25 -0.37 0.00 0.00 177.43 178.46 2g0u h LEU 65 N 0.66 0.16 -0.57 0.34 5.85 -1.48 0.03 115.31 120.30 2g0u h LEU 65 Ca 0.03 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.40 2g0u h LEU 65 Cb 1.06 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2g0u h LEU 65 CO 0.11 0.37 -0.06 0.22 -0.34 0.00 0.00 178.44 178.73 2g0u h TYR 66 N -0.05 1.15 -0.51 1.25 3.20 -1.24 -1.42 116.97 119.34 2g0u h TYR 66 Ca 0.03 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 2g0u h TYR 66 Cb 0.27 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2g0u h TYR 66 CO 0.01 1.04 0.18 -0.09 -1.64 0.00 0.00 178.16 177.66 2g0u h ARG 67 N 0.92 0.77 -0.60 1.82 2.43 -0.98 -1.27 114.38 117.48 2g0u h ARG 67 Ca 0.15 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2g0u h ARG 67 Cb 0.62 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 2g0u h ARG 67 CO 0.04 0.70 0.33 -0.97 -1.51 0.00 0.00 179.97 178.57 2g0u h ASN 68 N 0.68 0.50 -0.56 -3.80 -0.73 -0.82 0.11 115.58 110.96 2g0u h ASN 68 Ca 0.17 0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.28 2g0u h ASN 68 Cb 0.24 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 2g0u h ASN 68 CO -0.01 0.34 0.07 0.00 -0.37 0.00 0.00 177.43 177.46 2g0u h ALA 69 N 1.30 1.00 -0.54 1.57 0.00 -1.04 -1.95 119.26 119.59 2g0u h ALA 69 Ca 0.26 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2g0u h ALA 69 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2g0u h ALA 69 CO -0.15 0.63 0.01 0.37 0.00 0.00 0.00 179.25 180.10 2g0u h GLN 70 N 0.92 0.95 -0.28 0.00 5.75 -0.90 -3.18 115.11 118.37 2g0u h GLN 70 Ca 0.18 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 2g0u h GLN 70 Cb 0.44 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2g0u h GLN 70 CO 0.01 0.96 0.07 0.77 -2.65 0.00 0.00 178.83 178.00 2g0u h SER 71 N 0.83 0.36 -0.02 -0.69 0.02 -0.47 -2.48 113.55 111.10 2g0u h SER 71 Ca 0.16 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2g0u h SER 71 Cb 0.52 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 2g0u h SER 71 CO 0.03 0.37 0.01 0.28 -1.14 0.00 0.00 176.83 176.38 2g0u h SER 72 N 0.40 0.00 0.15 3.07 0.02 -1.34 0.98 113.55 116.84 2g0u h SER 72 Ca 0.10 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.82 2g0u h SER 72 Cb 0.15 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.71 2g0u h SER 72 CO -0.00 0.00 -1.08 0.00 -1.14 0.00 0.00 176.83 174.60 2g0u h ALA 73 N 1.99 -0.02 0.00 3.77 0.00 -1.57 -3.36 119.26 120.07 2g0u h ALA 73 Ca 0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 2g0u h ALA 73 Cb 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2g0u h ALA 73 CO -0.00 0.56 -0.19 0.28 0.00 0.00 0.00 179.25 179.89 2g0u h VAL 74 N -0.29 1.04 -0.88 0.00 2.07 -1.15 -2.26 116.25 114.78 2g0u h VAL 74 Ca -0.21 -0.69 0.21 0.00 0.82 0.00 0.00 66.70 66.84 2g0u h VAL 74 Cb 1.74 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 2g0u h VAL 74 CO 0.14 0.19 0.59 0.50 0.02 0.00 0.00 177.57 179.01 2g0u h LYS 75 N 0.00 0.29 -0.30 1.57 1.63 -0.96 -0.47 116.57 118.33 2g0u h LYS 75 Ca -0.00 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 2g0u h LYS 75 Cb 0.36 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2g0u h LYS 75 CO 0.03 0.19 0.21 1.03 -3.45 0.00 0.00 179.45 177.46 2g0u h SER 76 N 0.30 0.07 0.07 4.20 0.87 -1.60 -0.36 113.55 117.09 2g0u h SER 76 Ca 0.45 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.64 2g0u h SER 76 Cb 1.27 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.17 2g0u h SER 76 CO -0.14 0.04 -2.27 0.23 -0.53 0.00 0.00 176.83 174.16 2g0u n MET 77 N -4.47 0.69 0.13 2.24 2.81 -0.31 -4.37 117.12 113.85 2g0u n MET 77 Ca 0.04 0.18 0.04 0.00 -1.81 0.00 0.00 57.70 56.14 2g0u n MET 77 Cb 0.32 -1.60 0.44 0.00 -0.71 0.00 0.00 33.22 31.67 2g0u n MET 77 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2g0u h LYS 78 N 0.02 0.24 -0.09 0.03 1.57 -1.06 -1.69 116.57 115.59 2g0u h LYS 78 Ca -0.51 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.25 2g0u h LYS 78 Cb 1.98 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 2g0u h LYS 78 CO -0.01 0.31 0.08 0.22 -0.57 0.00 0.00 179.45 179.48 2g0u h ASP 79 N 0.23 0.00 0.00 0.86 3.58 -1.26 -0.43 116.42 119.41 2g0u h ASP 79 Ca 0.05 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2g0u h ASP 79 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2g0u h ASP 79 CO 0.01 0.00 -0.00 0.40 -2.88 0.00 0.00 179.24 176.77 2g0u h ILE 80 N 0.00 1.06 -0.75 2.25 2.04 -1.53 -3.40 117.51 117.18 2g0u h ILE 80 Ca 0.04 -1.78 -0.05 0.00 1.00 0.00 0.00 64.86 64.07 2g0u h ILE 80 Cb 0.20 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2g0u h ILE 80 CO -0.00 0.36 0.26 -0.78 0.00 0.00 0.00 178.15 177.98 2g0u h ASP 81 N -1.00 1.07 0.16 1.72 3.58 -1.04 -2.85 116.42 118.06 2g0u h ASP 81 Ca -0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2g0u h ASP 81 Cb 0.59 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2g0u h ASP 81 CO 0.00 0.97 0.00 -1.20 -2.88 0.00 0.00 179.24 176.14 2g0u n SER 82 N -4.26 0.00 0.18 2.28 7.64 -0.20 -2.62 113.62 116.63 2g0u n SER 82 Ca 0.06 -0.12 0.13 0.00 1.01 0.00 0.00 58.87 59.95 2g0u n SER 82 Cb 0.21 -0.17 0.59 0.00 -1.01 0.00 0.00 64.21 63.83 2g0u n SER 82 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2g0u h SER 83 N 0.00 0.00 -4.13 6.43 4.64 -1.71 -3.46 113.55 115.33 2g0u h SER 83 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2g0u h SER 83 Cb 0.08 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.32 2g0u h SER 83 CO 0.00 0.00 0.48 -0.51 -0.87 0.00 0.00 176.83 175.93 2g0u s ILE 84 N -3.48 2.16 -0.44 0.95 1.10 -1.08 -5.03 121.20 115.38 2g0u s ILE 84 Ca 0.02 0.09 0.07 0.00 -0.51 0.00 0.00 60.65 60.32 2g0u s ILE 84 Cb 0.09 -2.93 0.23 0.00 0.15 0.00 0.00 42.46 39.99 2g0u s ILE 84 CO 0.38 -0.03 0.64 -0.11 -2.11 0.00 0.00 174.94 173.71 2g0u n LEU 85 N -2.10 -1.43 0.00 8.50 -0.00 -1.26 -4.95 117.00 115.76 2g0u n LEU 85 Ca 0.15 -3.95 0.00 0.00 -0.00 0.00 0.00 56.01 52.21 2g0u n LEU 85 Cb 0.49 0.71 0.00 0.00 -0.00 0.00 0.00 43.42 44.61 2g0u n LEU 85 CO 0.47 1.99 0.13 -0.62 -0.00 0.00 0.00 177.39 179.36 2g0u n GLU 86 N 1.94 -0.21 -0.25 1.96 1.02 -1.26 -4.86 120.64 118.99 2g0u n GLU 86 Ca 0.18 -0.29 0.01 0.00 -0.02 0.00 0.00 57.16 57.04 2g0u n GLU 86 Cb 0.56 -0.70 0.01 0.00 -0.02 0.00 0.00 31.44 31.29 2g0u n GLU 86 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2g0u n HIS 87 N -0.02 0.00 0.28 -0.32 1.44 -1.26 -4.85 115.22 110.48 2g0u n HIS 87 Ca 0.00 -0.13 0.15 0.00 -2.01 0.00 0.00 57.72 55.73 2g0u n HIS 87 Cb 0.18 -0.04 0.83 0.00 0.12 0.00 0.00 29.99 31.08 2g0u n HIS 87 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2g0u h HIS 88 N 0.00 0.00 -3.82 -1.40 6.17 -1.96 -3.44 115.15 110.70 2g0u h HIS 88 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 60.37 60.81 2g0u h HIS 88 Cb 1.16 0.00 -0.18 0.00 2.52 0.00 0.00 27.41 30.91 2g0u h HIS 88 CO 0.05 0.07 -0.72 -1.01 0.71 0.00 0.00 177.93 177.03 2g0u s HIS 89 N -4.20 0.90 -2.01 5.26 3.76 -1.26 -5.06 115.29 112.67 2g0u s HIS 89 Ca -0.03 -0.71 0.30 0.00 -0.15 0.00 0.00 55.06 54.46 2g0u s HIS 89 Cb 0.13 -0.51 1.41 0.00 1.11 0.00 0.00 32.58 34.71 2g0u s HIS 89 CO 0.55 -0.08 1.95 0.72 -0.85 0.00 0.00 174.74 177.03 2g0u n HIS 90 N 0.57 0.00 -3.81 1.40 -0.00 -1.26 -4.87 115.22 107.25 2g0u n HIS 90 Ca -0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.46 2g0u n HIS 90 Cb 0.58 -0.07 -0.07 0.00 -0.00 0.00 0.00 29.99 30.43 2g0u n HIS 90 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2g0u s HIS 91 N -2.18 0.05 0.00 4.41 5.65 -1.26 -5.15 115.29 116.81 2g0u s HIS 91 Ca 0.38 -0.39 0.00 0.00 0.25 0.00 0.00 55.06 55.30 2g0u s HIS 91 Cb 0.21 0.01 0.00 0.00 -1.18 0.00 0.00 32.58 31.62 2g0u s HIS 91 CO 0.40 -0.54 0.03 0.72 -0.65 0.00 0.00 174.74 174.69