#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gf0 s VAL 2 N 0.00 3.52 0.56 3.15 1.01 -1.26 -0.53 120.40 126.85 1gf0 s VAL 2 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 1gf0 s VAL 2 Cb 0.00 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1gf0 s VAL 2 CO 0.00 -0.20 1.07 -0.36 0.00 0.00 0.00 175.10 175.62 1gf0 s PHE 3 N 1.34 2.87 0.33 5.22 0.08 -0.20 -5.00 117.98 122.63 1gf0 s PHE 3 Ca -0.02 1.54 -0.08 0.00 0.12 0.00 0.00 56.93 58.49 1gf0 s PHE 3 Cb -0.20 -3.11 -0.06 0.00 -0.57 0.00 0.00 43.02 39.08 1gf0 s PHE 3 CO 0.01 -1.20 0.64 -1.21 -0.10 0.00 0.00 175.22 173.36 1gf0 s GLU 4 N -3.65 3.72 0.07 0.44 2.02 -1.26 -4.84 118.70 115.20 1gf0 s GLU 4 Ca 0.67 0.24 -0.16 0.00 0.02 0.00 0.00 54.97 55.74 1gf0 s GLU 4 Cb -0.18 -2.54 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 1gf0 s GLU 4 CO 0.30 0.13 1.28 -0.09 0.02 0.00 0.00 175.26 176.90 1gf0 h ARG 5 N 1.66 -0.14 0.00 1.61 2.43 -1.96 -1.54 114.38 116.43 1gf0 h ARG 5 Ca -0.47 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1gf0 h ARG 5 Cb 1.19 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1gf0 h ARG 5 CO 0.66 -0.09 -0.30 0.00 -1.51 0.00 0.00 179.97 178.72 1gf0 h GLU 7 N 0.00 0.28 -0.61 0.00 4.81 -1.86 -1.92 114.58 115.28 1gf0 h GLU 7 Ca -0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1gf0 h GLU 7 Cb 0.56 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1gf0 h GLU 7 CO 0.04 0.28 0.16 1.25 -0.73 0.00 0.00 179.01 180.01 1gf0 h LEU 8 N 0.21 0.91 -0.62 1.64 5.85 -0.81 -1.45 115.31 121.04 1gf0 h LEU 8 Ca 0.07 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1gf0 h LEU 8 Cb 0.08 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1gf0 h LEU 8 CO -0.01 0.90 0.32 0.00 -0.34 0.00 0.00 178.44 179.31 1gf0 h ALA 9 N 1.05 0.82 -0.24 1.25 0.00 -0.88 0.16 119.26 121.41 1gf0 h ALA 9 Ca 0.19 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1gf0 h ALA 9 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1gf0 h ALA 9 CO -0.00 -0.02 -0.47 0.00 0.00 0.00 0.00 179.25 178.76 1gf0 h ARG 10 N 0.60 0.62 -0.37 0.00 3.08 -1.26 -1.30 114.38 115.74 1gf0 h ARG 10 Ca 0.28 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1gf0 h ARG 10 Cb 0.20 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1gf0 h ARG 10 CO -0.19 0.96 0.20 1.15 -1.07 0.00 0.00 179.97 181.01 1gf0 h THR 11 N 0.50 1.15 -0.56 2.04 2.02 -0.34 -0.52 112.91 117.20 1gf0 h THR 11 Ca 0.03 -0.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 1gf0 h THR 11 Cb 1.00 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1gf0 h THR 11 CO 0.09 0.16 -0.03 -0.07 0.37 0.00 0.00 175.52 176.04 1gf0 h LEU 12 N 0.47 0.99 -0.52 2.58 3.38 -0.62 -2.43 115.31 119.16 1gf0 h LEU 12 Ca 0.13 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1gf0 h LEU 12 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1gf0 h LEU 12 CO -0.02 1.07 0.34 0.50 0.09 0.00 0.00 178.44 180.42 1gf0 h LYS 13 N 0.89 0.67 -0.01 1.13 3.64 -0.95 -1.79 116.57 120.14 1gf0 h LYS 13 Ca 0.16 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1gf0 h LYS 13 Cb 0.58 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1gf0 h LYS 13 CO 0.03 0.44 -0.15 0.00 -2.27 0.00 0.00 179.45 177.51 1gf0 h ARG 14 N 0.69 0.02 -0.10 1.90 3.08 -0.94 -1.93 114.38 117.11 1gf0 h ARG 14 Ca 0.19 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1gf0 h ARG 14 Cb -0.06 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1gf0 h ARG 14 CO -0.05 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 1gf0 n LEU 15 N -4.35 0.69 -0.02 3.04 4.77 -0.72 -4.91 117.00 115.50 1gf0 n LEU 15 Ca -0.02 -0.32 -0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1gf0 n LEU 15 Cb 0.22 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1gf0 n LEU 15 CO 0.36 0.16 -0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1gf0 n GLY 16 N 0.83 0.38 0.12 -0.72 0.00 -0.72 -4.97 105.19 100.10 1gf0 n GLY 16 Ca 0.10 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.24 1gf0 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gf0 h MET 17 N 0.00 0.00 -6.13 1.61 2.86 -1.59 -3.40 114.93 108.28 1gf0 h MET 17 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1gf0 h MET 17 Cb 0.45 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1gf0 h MET 17 CO 0.01 0.00 1.29 0.34 1.06 0.00 0.00 176.91 179.61 1gf0 s ASP 18 N -5.03 5.57 0.00 1.22 -1.08 -1.26 -2.31 116.67 113.78 1gf0 s ASP 18 Ca 0.05 0.57 0.00 0.00 -0.52 0.00 0.00 52.55 52.65 1gf0 s ASP 18 Cb 0.10 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1gf0 s ASP 18 CO 0.71 -2.10 0.00 0.61 0.52 0.00 0.00 175.17 174.92 1gf0 n GLY 19 N 5.55 0.68 3.66 2.66 0.00 0.29 -4.92 105.19 113.11 1gf0 n GLY 19 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1gf0 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gf0 n TYR 20 N -2.62 2.49 -3.96 1.61 9.36 -0.98 -0.92 117.16 122.14 1gf0 n TYR 20 Ca 0.00 -0.34 -0.32 0.00 3.32 0.00 0.00 57.90 60.57 1gf0 n TYR 20 Cb 0.00 -2.79 0.01 0.00 -0.63 0.00 0.00 39.34 35.93 1gf0 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gf0 n ARG 21 N 7.44 -4.76 -0.98 2.98 5.12 -1.26 -1.13 116.66 124.07 1gf0 n ARG 21 Ca 0.20 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1gf0 n ARG 21 Cb 0.39 -5.38 0.00 0.00 -1.16 0.00 0.00 32.46 26.32 1gf0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gf0 n GLY 22 N -1.58 0.46 3.56 -0.13 0.00 -0.10 -5.00 105.19 102.41 1gf0 n GLY 22 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1gf0 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gf0 s ILE 23 N -2.06 5.21 0.75 -0.61 1.01 -0.29 -4.91 121.20 120.31 1gf0 s ILE 23 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 1gf0 s ILE 23 Cb 0.00 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.79 1gf0 s ILE 23 CO 0.00 0.03 1.11 -0.94 0.00 0.00 0.00 174.94 175.14 1gf0 s SER 24 N 1.72 4.54 0.26 3.58 1.04 -1.26 -0.55 113.70 123.03 1gf0 s SER 24 Ca 0.11 1.92 -0.05 0.00 0.48 0.00 0.00 55.95 58.41 1gf0 s SER 24 Cb -0.16 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 63.72 1gf0 s SER 24 CO 0.11 -2.01 1.94 0.25 0.98 0.00 0.00 173.24 174.50 1gf0 h LEU 25 N -0.82 1.12 -1.59 2.42 5.85 -1.91 -1.45 115.31 118.93 1gf0 h LEU 25 Ca -0.45 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1gf0 h LEU 25 Cb 1.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1gf0 h LEU 25 CO 0.51 0.81 0.29 0.00 -0.34 0.00 0.00 178.44 179.71 1gf0 h ALA 26 N 1.39 1.71 -0.27 1.25 0.00 -1.92 -0.08 119.26 121.34 1gf0 h ALA 26 Ca 0.36 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 1gf0 h ALA 26 Cb -0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1gf0 h ALA 26 CO -0.08 0.27 -0.33 -0.91 0.00 0.00 0.00 179.25 178.20 1gf0 h ASN 27 N 0.57 0.76 -0.34 0.00 2.35 -1.60 -1.44 115.58 115.88 1gf0 h ASN 27 Ca 0.16 -0.49 -0.06 0.00 -0.55 0.00 0.00 56.30 55.36 1gf0 h ASN 27 Cb -0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1gf0 h ASN 27 CO -0.04 1.10 0.01 -0.50 -1.65 0.00 0.00 177.43 176.35 1gf0 h TRP 28 N 0.44 0.72 -0.32 1.19 4.06 -0.93 -0.88 115.95 120.23 1gf0 h TRP 28 Ca 0.04 -0.09 -0.05 0.00 2.06 0.00 0.00 58.89 60.85 1gf0 h TRP 28 Cb 0.90 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 1gf0 h TRP 28 CO 0.08 0.68 0.01 0.52 -3.56 0.00 0.00 178.44 176.16 1gf0 h MET 29 N 0.65 0.56 -0.61 0.49 2.86 -0.95 -0.75 114.93 117.20 1gf0 h MET 29 Ca 0.13 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1gf0 h MET 29 Cb 0.39 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1gf0 h MET 29 CO 0.01 0.69 0.18 0.00 1.06 0.00 0.00 176.91 178.86 1gf0 h LEU 31 N 0.89 -0.41 -0.65 0.00 5.85 -1.00 -2.03 115.31 117.96 1gf0 h LEU 31 Ca 0.20 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1gf0 h LEU 31 Cb 0.26 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1gf0 h LEU 31 CO -0.01 -0.19 0.37 0.28 -0.34 0.00 0.00 178.44 178.55 1gf0 h SER 32 N -0.61 0.56 0.23 1.25 0.02 -0.92 0.53 113.55 114.61 1gf0 h SER 32 Ca -0.05 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1gf0 h SER 32 Cb 0.45 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1gf0 h SER 32 CO 0.08 0.37 -0.14 0.50 -1.14 0.00 0.00 176.83 176.51 1gf0 h LYS 33 N 0.70 -0.34 0.00 3.45 1.63 -1.02 -1.63 116.57 119.35 1gf0 h LYS 33 Ca 0.28 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.01 1gf0 h LYS 33 Cb 0.14 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1gf0 h LYS 33 CO -0.16 -0.23 -0.45 -1.49 -3.45 0.00 0.00 179.45 173.67 1gf0 h TRP 34 N -0.35 0.00 0.10 1.91 4.06 -1.17 -0.80 115.95 119.69 1gf0 h TRP 34 Ca -0.02 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.68 1gf0 h TRP 34 Cb 0.29 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.47 1gf0 h TRP 34 CO -0.08 0.45 -1.02 0.93 -3.56 0.00 0.00 178.44 175.16 1gf0 h GLU 35 N 0.00 0.51 0.00 0.49 4.39 -0.81 -3.43 114.58 115.73 1gf0 h GLU 35 Ca -0.00 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1gf0 h GLU 35 Cb 1.08 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1gf0 h GLU 35 CO 0.06 1.29 0.00 -1.13 -1.16 0.00 0.00 179.01 178.07 1gf0 n SER 36 N -3.96 0.00 -1.69 1.42 3.41 -0.64 -4.82 113.62 107.33 1gf0 n SER 36 Ca -0.13 -0.95 -0.13 0.00 -0.26 0.00 0.00 58.87 57.40 1gf0 n SER 36 Cb 0.88 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.84 1gf0 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gf0 n GLY 37 N 0.00 -0.11 2.37 5.00 0.00 -0.30 -2.52 105.19 109.63 1gf0 n GLY 37 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 1gf0 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gf0 n TYR 38 N -4.02 -0.90 -3.72 1.61 0.53 -1.16 -4.75 117.16 104.75 1gf0 n TYR 38 Ca -0.11 0.05 -0.38 0.00 -1.02 0.00 0.00 57.90 56.44 1gf0 n TYR 38 Cb 0.60 -3.49 -0.12 0.00 -1.03 0.00 0.00 39.34 35.29 1gf0 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gf0 s ASN 39 N -2.28 5.27 0.55 7.72 2.47 -1.05 -1.03 114.94 126.60 1gf0 s ASN 39 Ca 0.03 -0.55 0.34 0.00 0.42 0.00 0.00 52.86 53.09 1gf0 s ASN 39 Cb -0.01 -1.93 1.41 0.00 -1.45 0.00 0.00 41.25 39.27 1gf0 s ASN 39 CO 0.03 -0.17 2.00 0.71 -3.72 0.00 0.00 177.10 175.96 1gf0 h THR 40 N 5.73 0.02 -0.61 -5.21 1.35 -1.12 -2.96 112.91 110.12 1gf0 h THR 40 Ca -0.33 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1gf0 h THR 40 Cb 1.14 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1gf0 h THR 40 CO 0.60 0.01 0.00 -2.11 -0.25 0.00 0.00 175.52 173.77 1gf0 n ARG 41 N -3.11 3.51 -2.01 4.72 1.85 -1.26 -3.99 116.66 116.37 1gf0 n ARG 41 Ca 0.00 -2.80 -0.40 0.00 -1.00 0.00 0.00 57.85 53.65 1gf0 n ARG 41 Cb 0.30 -1.80 -0.01 0.00 -1.05 0.00 0.00 32.46 29.89 1gf0 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gf0 s ALA 42 N -1.75 3.44 -0.01 2.89 0.00 -1.12 -4.80 121.76 120.41 1gf0 s ALA 42 Ca 0.48 1.34 -0.08 0.00 0.00 0.00 0.00 51.96 53.70 1gf0 s ALA 42 Cb 0.31 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1gf0 s ALA 42 CO 0.24 -0.81 0.15 0.95 0.00 0.00 0.00 175.76 176.30 1gf0 s THR 43 N -1.17 0.07 -0.13 0.00 -4.23 -1.26 -0.89 115.64 108.03 1gf0 s THR 43 Ca 0.52 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 60.39 1gf0 s THR 43 Cb -0.41 -0.42 0.07 0.00 1.34 0.00 0.00 72.50 73.07 1gf0 s THR 43 CO 0.54 -0.33 0.23 0.21 -0.54 0.00 0.00 174.62 174.74 1gf0 s ASN 44 N -1.21 0.64 0.05 3.99 2.47 -0.69 -4.96 114.94 115.23 1gf0 s ASN 44 Ca -0.13 0.37 -0.20 0.00 0.42 0.00 0.00 52.86 53.32 1gf0 s ASN 44 Cb -0.07 0.54 -0.06 0.00 -1.45 0.00 0.00 41.25 40.21 1gf0 s ASN 44 CO 0.02 -0.26 0.59 -0.47 -3.72 0.00 0.00 177.10 173.26 1gf0 s TYR 45 N 2.37 3.77 -0.55 0.43 6.04 -1.26 -0.38 117.35 127.76 1gf0 s TYR 45 Ca 0.03 1.26 -0.06 0.00 0.04 0.00 0.00 57.07 58.34 1gf0 s TYR 45 Cb -0.13 -2.55 0.14 0.00 -1.04 0.00 0.00 41.96 38.38 1gf0 s TYR 45 CO -0.09 0.50 0.40 -0.80 -1.54 0.00 0.00 175.55 174.02 1gf0 s ASN 46 N -0.76 5.56 0.56 4.32 0.01 0.38 -4.96 114.94 120.05 1gf0 s ASN 46 Ca 0.30 -2.36 0.24 0.00 -0.71 0.00 0.00 52.86 50.33 1gf0 s ASN 46 Cb -0.19 -1.94 1.52 0.00 0.41 0.00 0.00 41.25 41.05 1gf0 s ASN 46 CO 0.19 -0.53 2.14 0.00 -1.51 0.00 0.00 177.10 177.38 1gf0 h ALA 47 N 7.79 1.91 -0.29 0.60 0.00 -1.96 0.04 119.26 127.35 1gf0 h ALA 47 Ca -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1gf0 h ALA 47 Cb 1.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1gf0 h ALA 47 CO 0.76 -0.17 0.09 0.78 0.00 0.00 0.00 179.25 180.72 1gf0 h GLY 48 N 0.00 0.48 -0.29 0.00 0.00 -1.95 -3.31 103.07 98.00 1gf0 h GLY 48 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1gf0 h GLY 48 CO -0.00 0.26 0.00 2.09 0.00 0.00 0.00 176.54 178.89 1gf0 n ASP 49 N -4.71 2.34 -2.35 0.19 5.75 -1.11 -5.00 116.55 111.66 1gf0 n ASP 49 Ca -0.02 -2.32 -0.20 0.00 -0.01 0.00 0.00 54.79 52.23 1gf0 n ASP 49 Cb 0.16 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1gf0 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gf0 n ARG 50 N -0.57 -1.72 -3.84 0.11 1.74 -0.02 -4.76 116.66 107.60 1gf0 n ARG 50 Ca 0.07 0.99 -0.22 0.00 -0.77 0.00 0.00 57.85 57.92 1gf0 n ARG 50 Cb 0.41 -5.63 -0.05 0.00 -1.02 0.00 0.00 32.46 26.17 1gf0 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gf0 s SER 51 N -2.09 4.96 0.01 0.55 1.04 -1.18 -4.44 113.70 112.55 1gf0 s SER 51 Ca 0.00 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.74 1gf0 s SER 51 Cb 0.00 -0.73 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1gf0 s SER 51 CO 0.00 -0.45 -0.08 -0.89 0.98 0.00 0.00 173.24 172.80 1gf0 s THR 52 N -2.42 0.60 -0.18 2.02 2.01 -1.26 -0.47 115.64 115.94 1gf0 s THR 52 Ca 0.42 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 1gf0 s THR 52 Cb -0.03 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 1gf0 s THR 52 CO 0.25 0.01 0.15 -1.81 -0.69 0.00 0.00 174.62 172.53 1gf0 s ASP 53 N -0.62 6.28 -0.03 3.53 1.01 0.49 -1.24 116.67 126.09 1gf0 s ASP 53 Ca -0.01 0.32 0.07 0.00 0.71 0.00 0.00 52.55 53.64 1gf0 s ASP 53 Cb -0.05 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 1gf0 s ASP 53 CO 0.00 0.22 -0.23 -0.31 0.21 0.00 0.00 175.17 175.06 1gf0 s TYR 54 N 0.09 2.13 0.00 4.23 2.02 0.27 -1.70 117.35 124.39 1gf0 s TYR 54 Ca 0.10 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 1gf0 s TYR 54 Cb -0.11 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1gf0 s TYR 54 CO -0.00 -0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.30 1gf0 n GLY 55 N 2.67 -1.58 0.24 0.71 0.00 -0.07 -1.70 105.19 105.46 1gf0 n GLY 55 Ca -0.16 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.61 1gf0 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf0 h ILE 56 N 0.00 1.00 -0.12 -0.61 2.10 -1.67 -1.85 117.51 116.35 1gf0 h ILE 56 Ca 0.00 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1gf0 h ILE 56 Cb 0.00 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1gf0 h ILE 56 CO 0.00 0.13 0.00 0.49 -1.08 0.00 0.00 178.15 177.69 1gf0 n PHE 57 N -4.24 0.14 -3.77 2.19 0.99 -1.26 -4.05 117.46 107.46 1gf0 n PHE 57 Ca -0.03 -0.09 -0.32 0.00 -0.00 0.00 0.00 57.45 57.02 1gf0 n PHE 57 Cb 0.21 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.71 1gf0 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gf0 n GLN 58 N 1.12 -1.53 -2.79 -1.08 1.13 -0.69 -4.91 117.38 108.63 1gf0 n GLN 58 Ca 0.13 0.41 -0.41 0.00 -1.94 0.00 0.00 57.00 55.19 1gf0 n GLN 58 Cb 0.50 -4.05 -0.03 0.00 0.11 0.00 0.00 30.24 26.76 1gf0 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gf0 s ILE 59 N -3.56 4.88 0.21 5.09 1.01 -0.69 -4.44 121.20 123.71 1gf0 s ILE 59 Ca 0.39 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.67 1gf0 s ILE 59 Cb -0.15 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 1gf0 s ILE 59 CO 0.88 0.19 0.95 0.21 0.00 0.00 0.00 174.94 177.17 1gf0 s ASN 60 N 0.88 7.61 0.33 3.58 3.84 -1.26 -0.57 114.94 129.36 1gf0 s ASN 60 Ca 0.48 1.92 0.26 0.00 0.21 0.00 0.00 52.86 55.74 1gf0 s ASN 60 Cb -0.20 -2.61 0.99 0.00 -0.55 0.00 0.00 41.25 38.88 1gf0 s ASN 60 CO 0.26 0.10 1.78 0.77 -2.79 0.00 0.00 177.10 177.22 1gf0 h SER 61 N 4.47 0.00 -0.22 -4.21 4.64 -1.42 -2.44 113.55 114.36 1gf0 h SER 61 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1gf0 h SER 61 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1gf0 h SER 61 CO 0.69 0.00 0.02 -0.09 -0.87 0.00 0.00 176.83 176.58 1gf0 h ARG 62 N 0.00 0.49 0.00 4.77 2.43 -1.83 -3.39 114.38 116.85 1gf0 h ARG 62 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1gf0 h ARG 62 Cb 0.52 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1gf0 h ARG 62 CO 0.00 0.51 -0.77 0.66 -1.51 0.00 0.00 179.97 178.85 1gf0 n TYR 63 N -4.31 0.00 -0.09 2.20 4.02 -1.21 -0.08 117.16 117.69 1gf0 n TYR 63 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.82 1gf0 n TYR 63 Cb 0.22 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.38 1gf0 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1gf0 n TRP 64 N -1.63 0.00 -4.03 -0.72 7.02 -0.92 -0.31 117.44 116.85 1gf0 n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1gf0 n TRP 64 Cb 0.36 -0.96 -0.09 0.00 -2.42 0.00 0.00 31.31 28.20 1gf0 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gf0 s ASN 66 N -2.93 5.61 0.00 0.00 2.47 -0.46 -4.60 114.94 115.03 1gf0 s ASN 66 Ca 0.09 -0.00 0.01 0.00 0.42 0.00 0.00 52.86 53.38 1gf0 s ASN 66 Cb 0.07 -1.99 0.01 0.00 -1.45 0.00 0.00 41.25 37.89 1gf0 s ASN 66 CO -0.08 0.08 0.76 -0.90 -3.72 0.00 0.00 177.10 173.24 1gf0 n ASP 67 N 4.18 1.54 0.00 -4.21 5.68 -1.26 -0.99 116.55 121.49 1gf0 n ASP 67 Ca -0.16 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 1gf0 n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1gf0 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gf0 n GLY 68 N -0.18 0.34 0.05 6.12 0.00 -1.26 -4.76 105.19 105.50 1gf0 n GLY 68 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1gf0 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gf0 n LYS 69 N -2.00 1.96 -3.72 1.61 2.85 -1.26 -4.99 118.16 112.61 1gf0 n LYS 69 Ca 0.00 -1.76 -0.37 0.00 -1.05 0.00 0.00 58.31 55.13 1gf0 n LYS 69 Cb 0.00 -1.10 -0.12 0.00 -0.65 0.00 0.00 35.03 33.16 1gf0 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gf0 s THR 70 N -1.51 4.37 0.01 0.58 2.01 -1.26 -4.94 115.64 114.91 1gf0 s THR 70 Ca 0.11 -0.30 -0.35 0.00 0.31 0.00 0.00 61.69 61.46 1gf0 s THR 70 Cb 0.10 -3.13 -0.14 0.00 0.01 0.00 0.00 72.50 69.34 1gf0 s THR 70 CO 0.01 0.23 1.65 -2.65 -0.69 0.00 0.00 174.62 173.17 1gf0 n PRO 71 N 4.94 1.84 -1.46 4.92 -0.02 -1.26 -2.48 135.00 141.47 1gf0 n PRO 71 Ca -0.15 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 61.83 1gf0 n PRO 71 Cb 0.50 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 1gf0 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gf0 n GLY 72 N 3.67 1.55 3.77 -1.23 0.00 -1.26 -4.95 105.19 106.74 1gf0 n GLY 72 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1gf0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf0 s ALA 73 N -2.37 2.33 0.50 4.61 0.00 -1.04 -5.06 121.76 120.74 1gf0 s ALA 73 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1gf0 s ALA 73 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1gf0 s ALA 73 CO 0.00 -1.60 0.04 0.14 0.00 0.00 0.00 175.76 174.34 1gf0 s VAL 74 N -2.74 1.36 -0.40 0.00 -7.23 0.88 -5.00 120.40 107.28 1gf0 s VAL 74 Ca 0.63 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.91 1gf0 s VAL 74 Cb -0.18 -2.31 0.22 0.00 0.56 0.00 0.00 36.38 34.67 1gf0 s VAL 74 CO 0.52 0.00 0.46 -3.20 -0.31 0.00 0.00 175.10 172.57 1gf0 n ASN 75 N -1.26 -0.04 0.21 4.85 5.15 -1.22 -3.90 115.26 119.06 1gf0 n ASN 75 Ca -0.15 -2.59 0.06 0.00 -0.60 0.00 0.00 54.58 51.30 1gf0 n ASN 75 Cb 0.67 -0.61 0.54 0.00 -0.53 0.00 0.00 39.78 39.85 1gf0 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gf0 h ALA 76 N 4.56 1.80 -0.00 5.20 0.00 -0.69 -1.96 119.26 128.16 1gf0 h ALA 76 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gf0 h ALA 76 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1gf0 h ALA 76 CO 0.43 0.15 -0.16 0.00 0.00 0.00 0.00 179.25 179.68 1gf0 n HIS 78 N -0.98 -1.86 -3.99 0.00 -0.00 -0.74 -4.95 115.22 102.70 1gf0 n HIS 78 Ca 0.13 0.69 -0.09 0.00 -0.00 0.00 0.00 57.72 58.45 1gf0 n HIS 78 Cb 0.30 -3.89 -0.11 0.00 -0.00 0.00 0.00 29.99 26.29 1gf0 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gf0 s LEU 79 N -6.62 2.26 0.37 2.41 1.43 -1.26 -5.08 118.68 112.19 1gf0 s LEU 79 Ca 0.18 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 1gf0 s LEU 79 Cb -0.06 0.12 -0.09 0.00 0.03 0.00 0.00 46.19 46.19 1gf0 s LEU 79 CO 0.85 -0.34 1.03 -0.55 0.23 0.00 0.00 176.35 177.57 1gf0 s SER 80 N -1.63 6.92 0.64 2.29 0.15 -1.26 -1.36 113.70 119.45 1gf0 s SER 80 Ca -0.13 2.01 0.41 0.00 0.70 0.00 0.00 55.95 58.94 1gf0 s SER 80 Cb -0.08 -2.59 2.18 0.00 -1.71 0.00 0.00 66.02 63.82 1gf0 s SER 80 CO -0.02 -0.37 2.29 0.00 1.20 0.00 0.00 173.24 176.34 1gf0 h SER 82 N 0.00 0.43 0.06 0.00 0.87 -1.91 -0.63 113.55 112.36 1gf0 h SER 82 Ca -0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1gf0 h SER 82 Cb 0.10 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1gf0 h SER 82 CO 0.00 0.31 -0.01 0.00 -0.53 0.00 0.00 176.83 176.60 1gf0 h ALA 83 N 1.76 1.36 -0.29 6.23 0.00 -1.59 -0.39 119.26 126.33 1gf0 h ALA 83 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gf0 h ALA 83 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gf0 h ALA 83 CO -0.03 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1gf0 n LEU 84 N -3.62 1.72 -0.08 0.00 4.77 -0.25 -3.65 117.00 115.90 1gf0 n LEU 84 Ca -0.03 -0.83 0.08 0.00 -0.03 0.00 0.00 56.01 55.21 1gf0 n LEU 84 Cb 0.10 -0.19 0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1gf0 n LEU 84 CO 0.26 0.41 0.56 0.18 -1.33 0.00 0.00 177.39 177.48 1gf0 n LEU 85 N 0.42 2.34 -4.87 2.23 4.77 -0.16 -3.24 117.00 118.49 1gf0 n LEU 85 Ca 0.12 -2.92 -0.31 0.00 -0.03 0.00 0.00 56.01 52.88 1gf0 n LEU 85 Cb 0.29 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1gf0 n LEU 85 CO 0.09 0.68 0.46 -1.10 -1.33 0.00 0.00 177.39 176.19 1gf0 s GLN 86 N -2.58 3.82 0.23 3.23 -0.21 -1.24 -4.61 119.66 118.30 1gf0 s GLN 86 Ca 0.27 0.54 -0.02 0.00 0.02 0.00 0.00 55.36 56.17 1gf0 s GLN 86 Cb 0.24 -2.37 0.24 0.00 1.00 0.00 0.00 33.01 32.12 1gf0 s GLN 86 CO 0.03 -0.03 1.65 -0.44 -2.12 0.00 0.00 175.29 174.37 1gf0 h ASP 87 N 1.35 0.69 -3.21 5.90 5.19 -1.94 -3.40 116.42 121.00 1gf0 h ASP 87 Ca -0.47 -0.25 -0.56 0.00 -0.62 0.00 0.00 57.03 55.12 1gf0 h ASP 87 Cb 1.19 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 40.46 1gf0 h ASP 87 CO 0.64 0.92 0.63 0.21 -3.12 0.00 0.00 179.24 178.51 1gf0 s ASN 88 N -6.78 7.21 -0.00 6.45 3.84 -1.26 -4.88 114.94 119.52 1gf0 s ASN 88 Ca -0.08 1.50 0.14 0.00 0.21 0.00 0.00 52.86 54.62 1gf0 s ASN 88 Cb 0.13 -2.55 0.41 0.00 -0.55 0.00 0.00 41.25 38.69 1gf0 s ASN 88 CO 0.82 -0.50 1.34 2.30 -2.79 0.00 0.00 177.10 178.27 1gf0 n ILE 89 N 4.74 0.64 -0.14 -5.21 -5.35 -1.26 -4.53 119.36 108.25 1gf0 n ILE 89 Ca 0.10 -0.62 -0.04 0.00 -0.27 0.00 0.00 62.75 61.92 1gf0 n ILE 89 Cb 0.48 0.29 0.05 0.00 -1.74 0.00 0.00 39.64 38.72 1gf0 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gf0 h ALA 90 N 3.83 0.51 -0.34 -1.28 0.00 -1.95 0.59 119.26 120.64 1gf0 h ALA 90 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1gf0 h ALA 90 Cb 0.64 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1gf0 h ALA 90 CO 0.01 -0.30 -0.25 -0.44 0.00 0.00 0.00 179.25 178.27 1gf0 h ASP 91 N 0.25 0.69 -0.66 0.00 3.45 -1.86 -0.84 116.42 117.45 1gf0 h ASP 91 Ca 0.22 -0.25 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 1gf0 h ASP 91 Cb 0.27 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.83 1gf0 h ASP 91 CO -0.28 0.91 0.17 0.00 -1.57 0.00 0.00 179.24 178.47 1gf0 h ALA 92 N 1.14 1.02 -0.53 3.45 0.00 -1.63 -0.90 119.26 121.81 1gf0 h ALA 92 Ca 0.08 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1gf0 h ALA 92 Cb 0.73 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1gf0 h ALA 92 CO 0.06 0.64 -0.05 0.28 0.00 0.00 0.00 179.25 180.18 1gf0 h VAL 93 N 1.02 1.27 -0.66 0.00 2.07 -0.66 0.17 116.25 119.46 1gf0 h VAL 93 Ca 0.22 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1gf0 h VAL 93 Cb 0.35 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1gf0 h VAL 93 CO 0.00 0.41 0.41 0.00 0.02 0.00 0.00 177.57 178.41 1gf0 h ALA 94 N 0.93 0.84 -0.30 1.67 0.00 -0.76 -0.34 119.26 121.29 1gf0 h ALA 94 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1gf0 h ALA 94 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1gf0 h ALA 94 CO 0.04 0.30 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 1gf0 h ALA 96 N 0.79 1.52 -0.54 0.00 0.00 -0.29 0.45 119.26 121.19 1gf0 h ALA 96 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1gf0 h ALA 96 Cb 0.56 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1gf0 h ALA 96 CO 0.03 0.39 0.18 0.87 0.00 0.00 0.00 179.25 180.73 1gf0 h LYS 97 N 0.99 0.82 -0.78 0.00 1.57 -0.88 -2.21 116.57 116.08 1gf0 h LYS 97 Ca 0.32 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1gf0 h LYS 97 Cb 0.06 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1gf0 h LYS 97 CO -0.10 0.74 0.52 -0.09 -0.57 0.00 0.00 179.45 179.95 1gf0 h ARG 98 N 0.74 1.02 0.05 3.15 9.65 -0.33 -2.25 114.38 126.40 1gf0 h ARG 98 Ca 0.17 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1gf0 h ARG 98 Cb 0.25 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1gf0 h ARG 98 CO -0.01 0.68 -0.14 0.28 2.80 0.00 0.00 179.97 183.58 1gf0 h VAL 99 N 1.05 0.67 0.00 0.20 2.07 -0.60 -2.62 116.25 117.02 1gf0 h VAL 99 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1gf0 h VAL 99 Cb -0.12 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1gf0 h VAL 99 CO -0.06 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.86 1gf0 n VAL 100 N -5.27 0.49 0.71 2.57 0.24 -0.86 -2.03 118.33 114.18 1gf0 n VAL 100 Ca -0.06 0.12 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 1gf0 n VAL 100 Cb 0.19 -0.80 0.48 0.00 -1.47 0.00 0.00 33.84 32.24 1gf0 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gf0 n ARG 101 N -1.34 0.08 -1.87 7.34 1.74 -0.87 -4.14 116.66 117.59 1gf0 n ARG 101 Ca 0.08 0.17 -0.30 0.00 -0.77 0.00 0.00 57.85 57.03 1gf0 n ARG 101 Cb 0.17 -1.61 0.07 0.00 -1.02 0.00 0.00 32.46 30.07 1gf0 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gf0 s ASP 102 N -3.47 5.00 0.24 0.55 -0.00 -0.86 -4.96 116.67 113.16 1gf0 s ASP 102 Ca 0.10 1.00 -0.14 0.00 -0.00 0.00 0.00 52.55 53.51 1gf0 s ASP 102 Cb 0.14 -1.67 0.30 0.00 -0.00 0.00 0.00 42.92 41.69 1gf0 s ASP 102 CO 0.45 -1.61 1.58 -0.65 -0.00 0.00 0.00 175.17 174.94 1gf0 h PRO 103 N -0.85 -0.03 0.00 8.23 0.11 -1.87 -2.06 132.00 135.53 1gf0 h PRO 103 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1gf0 h PRO 103 Cb 1.29 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1gf0 h PRO 103 CO 0.64 -0.02 -0.07 1.96 -0.21 0.00 0.00 178.00 180.30 1gf0 h GLN 104 N -0.03 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 114.94 1gf0 h GLN 104 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1gf0 h GLN 104 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1gf0 h GLN 104 CO -0.86 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 177.78 1gf0 n GLY 105 N -1.16 2.15 0.34 3.46 0.00 -0.78 -2.12 105.19 107.08 1gf0 n GLY 105 Ca -0.03 -0.53 0.23 0.00 0.00 0.00 0.00 46.02 45.69 1gf0 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf0 h ILE 106 N 0.00 0.01 0.00 -0.61 6.09 -1.92 -2.29 117.51 118.79 1gf0 h ILE 106 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1gf0 h ILE 106 Cb 0.00 1.02 0.00 0.00 0.47 0.00 0.00 36.82 38.31 1gf0 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gf0 n ARG 107 N -3.09 0.10 -0.17 2.19 1.74 -0.90 -3.02 116.66 113.51 1gf0 n ARG 107 Ca -0.03 0.22 0.14 0.00 -0.77 0.00 0.00 57.85 57.41 1gf0 n ARG 107 Cb 0.08 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.49 1gf0 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf0 h ALA 108 N 2.51 2.02 -2.36 7.54 0.00 -1.58 -3.38 119.26 124.01 1gf0 h ALA 108 Ca 0.00 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1gf0 h ALA 108 Cb 0.15 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 1gf0 h ALA 108 CO 0.00 -0.21 0.09 -1.58 0.00 0.00 0.00 179.25 177.55 1gf0 s TRP 109 N -5.47 3.16 0.38 0.00 0.51 -1.17 -4.95 118.94 111.41 1gf0 s TRP 109 Ca -0.08 0.31 0.05 0.00 -2.12 0.00 0.00 56.10 54.25 1gf0 s TRP 109 Cb 0.21 -3.07 0.74 0.00 -0.81 0.00 0.00 33.47 30.53 1gf0 s TRP 109 CO 0.77 -0.60 2.02 0.28 -0.51 0.00 0.00 176.95 178.90 1gf0 h VAL 110 N 5.65 1.14 -0.41 4.03 2.07 -1.90 -1.61 116.25 125.22 1gf0 h VAL 110 Ca -0.27 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1gf0 h VAL 110 Cb 1.11 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1gf0 h VAL 110 CO 0.82 0.15 0.27 0.00 0.02 0.00 0.00 177.57 178.82 1gf0 h ALA 111 N 1.66 1.72 -0.33 1.67 0.00 -1.94 -0.04 119.26 121.99 1gf0 h ALA 111 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1gf0 h ALA 111 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1gf0 h ALA 111 CO -0.03 0.26 0.00 2.35 0.00 0.00 0.00 179.25 181.83 1gf0 h TRP 112 N 0.55 0.62 -0.57 0.00 7.01 -1.62 0.81 115.95 122.75 1gf0 h TRP 112 Ca 0.15 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1gf0 h TRP 112 Cb -0.05 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.82 1gf0 h TRP 112 CO -0.00 0.69 0.37 0.00 -2.79 0.00 0.00 178.44 176.71 1gf0 h ARG 113 N 0.38 0.76 -0.19 2.65 3.08 -1.20 0.34 114.38 120.20 1gf0 h ARG 113 Ca 0.09 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1gf0 h ARG 113 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1gf0 h ARG 113 CO 0.02 0.52 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.52 1gf0 h ASN 114 N 0.77 0.33 -0.01 7.04 2.35 -0.78 -3.33 115.58 121.95 1gf0 h ASN 114 Ca 0.21 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1gf0 h ASN 114 Cb -0.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1gf0 h ASN 114 CO -0.04 0.57 -0.01 0.54 -1.65 0.00 0.00 177.43 176.84 1gf0 n ARG 115 N -4.70 0.31 0.00 0.81 5.12 0.26 -4.81 116.66 113.65 1gf0 n ARG 115 Ca -0.05 -1.00 0.00 0.00 -1.93 0.00 0.00 57.85 54.87 1gf0 n ARG 115 Cb 0.24 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 1gf0 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gf0 s GLN 117 N -1.61 4.16 -1.69 0.00 0.74 0.01 -2.27 119.66 119.01 1gf0 s GLN 117 Ca 0.00 2.51 0.00 0.00 0.05 0.00 0.00 55.36 57.92 1gf0 s GLN 117 Cb 0.00 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1gf0 s GLN 117 CO 0.00 -0.67 0.00 0.09 -0.55 0.00 0.00 175.29 174.16 1gf0 n ASN 118 N 3.67 -5.45 -4.66 6.67 5.03 -1.26 -4.95 115.26 114.30 1gf0 n ASN 118 Ca 0.14 0.09 -0.25 0.00 0.87 0.00 0.00 54.58 55.43 1gf0 n ASN 118 Cb 0.37 -4.59 -0.08 0.00 -1.02 0.00 0.00 39.78 34.46 1gf0 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gf0 s ARG 119 N -4.86 2.13 -0.70 3.52 1.81 -0.96 -5.07 118.95 114.81 1gf0 s ARG 119 Ca 0.00 -1.77 -0.23 0.00 -1.72 0.00 0.00 55.73 52.01 1gf0 s ARG 119 Cb 0.00 -1.94 0.07 0.00 -0.45 0.00 0.00 34.95 32.63 1gf0 s ARG 119 CO 0.00 0.07 1.02 0.34 -0.68 0.00 0.00 175.30 176.05 1gf0 s ASP 120 N -3.76 6.22 -0.07 0.23 -1.08 -1.26 -4.87 116.67 112.08 1gf0 s ASP 120 Ca 0.36 -1.06 0.20 0.00 -0.52 0.00 0.00 52.55 51.54 1gf0 s ASP 120 Cb 0.01 -2.43 0.69 0.00 -1.46 0.00 0.00 42.92 39.73 1gf0 s ASP 120 CO 0.20 -1.44 1.59 1.33 0.52 0.00 0.00 175.17 177.37 1gf0 n VAL 121 N 5.95 1.50 -0.35 1.11 0.24 -1.26 -4.53 118.33 120.98 1gf0 n VAL 121 Ca 0.00 -1.12 0.04 0.00 -2.04 0.00 0.00 64.34 61.22 1gf0 n VAL 121 Cb 0.46 0.28 0.21 0.00 -1.47 0.00 0.00 33.84 33.32 1gf0 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gf0 h ARG 122 N 4.16 1.07 -0.45 7.34 3.08 -1.92 -2.12 114.38 125.54 1gf0 h ARG 122 Ca 0.00 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.11 1gf0 h ARG 122 Cb 1.27 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1gf0 h ARG 122 CO 0.14 0.71 0.49 -0.56 -1.07 0.00 0.00 179.97 179.67 1gf0 h GLN 123 N 1.11 0.00 0.00 0.04 3.07 -1.97 -2.13 115.11 115.22 1gf0 h GLN 123 Ca 0.43 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 59.11 1gf0 h GLN 123 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 1gf0 h GLN 123 CO -0.18 0.00 -0.27 1.88 0.09 0.00 0.00 178.83 180.35 1gf0 h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.72 -3.28 116.97 112.07 1gf0 h TYR 124 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1gf0 h TYR 124 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1gf0 h TYR 124 CO 0.00 0.27 0.00 1.33 -1.05 0.00 0.00 178.16 178.71 1gf0 n VAL 125 N -3.56 0.12 -1.95 -2.88 0.24 -0.82 -4.82 118.33 104.66 1gf0 n VAL 125 Ca -0.01 -0.56 -0.42 0.00 -2.04 0.00 0.00 64.34 61.32 1gf0 n VAL 125 Cb 0.41 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.71 1gf0 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gf0 s GLN 126 N -0.19 4.22 0.00 7.34 -1.52 -1.11 -2.31 119.66 126.10 1gf0 s GLN 126 Ca 0.01 2.35 0.00 0.00 -1.95 0.00 0.00 55.36 55.77 1gf0 s GLN 126 Cb 0.01 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.65 1gf0 s GLN 126 CO 0.01 -0.58 0.00 0.41 -0.25 0.00 0.00 175.29 174.88 1gf0 n GLY 127 N 3.55 1.01 0.34 3.09 0.00 -1.26 -4.92 105.19 107.01 1gf0 n GLY 127 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1gf0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf0 n GLY 129 N 1.28 -0.04 0.26 0.00 0.00 -1.26 -4.78 105.19 100.65 1gf0 n GLY 129 Ca 0.15 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.83 1gf0 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65