#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gfe s ASN 2 N 0.00 5.56 0.56 3.14 2.47 -1.26 -1.26 114.94 124.15 1gfe s ASN 2 Ca 0.00 -1.10 -0.18 0.00 0.42 0.00 0.00 52.86 52.00 1gfe s ASN 2 Cb 0.00 -1.96 -0.05 0.00 -1.45 0.00 0.00 41.25 37.79 1gfe s ASN 2 CO 0.00 -0.37 1.09 -0.36 -3.72 0.00 0.00 177.10 173.74 1gfe s PHE 3 N 1.48 2.80 0.23 0.43 0.08 -0.36 -5.00 117.98 117.64 1gfe s PHE 3 Ca 0.00 1.55 -0.06 0.00 0.12 0.00 0.00 56.93 58.54 1gfe s PHE 3 Cb -0.20 -3.16 -0.06 0.00 -0.57 0.00 0.00 43.02 39.04 1gfe s PHE 3 CO 0.05 -1.31 0.50 -1.21 -0.10 0.00 0.00 175.22 173.14 1gfe s GLU 4 N -3.54 3.67 0.00 0.44 2.02 -1.26 -4.85 118.70 115.17 1gfe s GLU 4 Ca 0.69 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.71 1gfe s GLU 4 Cb -0.20 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1gfe s GLU 4 CO 0.29 0.31 0.99 -2.13 0.02 0.00 0.00 175.26 174.74 1gfe n ARG 5 N -0.47 0.00 0.09 1.61 0.63 -1.26 -1.35 116.66 115.92 1gfe n ARG 5 Ca -0.01 0.93 0.04 0.00 -0.92 0.00 0.00 57.85 57.89 1gfe n ARG 5 Cb 0.53 -1.49 0.46 0.00 0.45 0.00 0.00 32.46 32.42 1gfe n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gfe h GLU 7 N 0.35 0.46 -0.44 0.00 4.81 -1.89 -1.68 114.58 116.19 1gfe h GLU 7 Ca 0.09 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1gfe h GLU 7 Cb 0.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1gfe h GLU 7 CO -0.01 0.31 -0.10 1.25 -0.73 0.00 0.00 179.01 179.73 1gfe h LEU 8 N 0.48 0.86 -0.38 1.64 5.85 -0.44 -1.85 115.31 121.46 1gfe h LEU 8 Ca 0.16 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.59 1gfe h LEU 8 Cb -0.00 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 1gfe h LEU 8 CO -0.07 1.01 0.01 0.00 -0.34 0.00 0.00 178.44 179.05 1gfe h ALA 9 N 0.87 0.35 -0.12 1.25 0.00 -0.70 0.17 119.26 121.09 1gfe h ALA 9 Ca 0.11 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1gfe h ALA 9 Cb 0.63 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1gfe h ALA 9 CO 0.04 -0.39 -0.53 0.00 0.00 0.00 0.00 179.25 178.37 1gfe h ARG 10 N 0.11 0.33 -0.70 0.00 3.08 -1.30 -0.96 114.38 114.93 1gfe h ARG 10 Ca 0.19 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1gfe h ARG 10 Cb 0.26 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1gfe h ARG 10 CO -0.31 0.78 0.31 1.15 -1.07 0.00 0.00 179.97 180.83 1gfe h THR 11 N 0.25 1.24 -0.40 2.04 2.02 -0.42 0.24 112.91 117.88 1gfe h THR 11 Ca 0.01 -0.71 -0.16 0.00 0.77 0.00 0.00 66.41 66.32 1gfe h THR 11 Cb 1.02 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1gfe h THR 11 CO 0.09 0.29 -0.36 -0.07 0.37 0.00 0.00 175.52 175.84 1gfe h LEU 12 N 0.99 1.00 -0.54 2.58 3.38 -0.53 -2.52 115.31 119.67 1gfe h LEU 12 Ca 0.24 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1gfe h LEU 12 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1gfe h LEU 12 CO -0.02 1.25 0.27 0.50 0.09 0.00 0.00 178.44 180.52 1gfe h LYS 13 N 0.78 0.77 0.00 1.13 3.64 -0.75 -1.91 116.57 120.23 1gfe h LYS 13 Ca 0.07 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1gfe h LYS 13 Cb 0.95 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1gfe h LYS 13 CO 0.09 0.62 -0.13 0.00 -2.27 0.00 0.00 179.45 177.76 1gfe h ARG 14 N 0.73 0.00 -0.01 1.90 3.08 -0.81 -1.98 114.38 117.28 1gfe h ARG 14 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1gfe h ARG 14 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1gfe h ARG 14 CO -0.03 0.13 -0.02 1.28 -1.07 0.00 0.00 179.97 180.27 1gfe n LEU 15 N -3.83 0.59 0.00 3.04 4.77 -0.77 -4.93 117.00 115.87 1gfe n LEU 15 Ca -0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1gfe n LEU 15 Cb 0.23 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1gfe n LEU 15 CO 0.32 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1gfe n GLY 16 N 1.12 0.75 0.15 -0.72 0.00 -0.75 -4.99 105.19 100.75 1gfe n GLY 16 Ca 0.20 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1gfe n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gfe h MET 17 N 0.00 0.00 -5.97 1.61 2.86 -1.58 -3.40 114.93 108.45 1gfe h MET 17 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 1gfe h MET 17 Cb 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1gfe h MET 17 CO 0.00 0.00 1.39 0.34 1.06 0.00 0.00 176.91 179.70 1gfe s ASP 18 N -5.47 5.23 0.00 1.22 -1.08 -1.26 -2.20 116.67 113.12 1gfe s ASP 18 Ca 0.04 0.66 0.00 0.00 -0.52 0.00 0.00 52.55 52.73 1gfe s ASP 18 Cb 0.09 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1gfe s ASP 18 CO 0.72 -2.34 0.00 0.61 0.52 0.00 0.00 175.17 174.67 1gfe n GLY 19 N 5.70 0.61 3.66 2.66 0.00 0.11 -4.92 105.19 113.02 1gfe n GLY 19 Ca 0.24 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1gfe n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gfe s TYR 20 N -2.00 1.34 -1.48 1.61 5.04 -0.93 -0.90 117.35 120.02 1gfe s TYR 20 Ca 0.00 -0.43 -0.12 0.00 -2.44 0.00 0.00 57.07 54.08 1gfe s TYR 20 Cb 0.00 -4.24 0.07 0.00 0.35 0.00 0.00 41.96 38.14 1gfe s TYR 20 CO 0.00 -5.54 0.83 0.54 -1.34 0.00 0.00 175.55 170.05 1gfe n ARG 21 N 7.41 -5.02 -0.97 4.97 5.12 -1.26 -1.28 116.66 125.62 1gfe n ARG 21 Ca 0.20 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 1gfe n ARG 21 Cb 0.41 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.24 1gfe n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gfe n GLY 22 N -1.56 0.48 3.60 -0.13 0.00 -0.07 -5.00 105.19 102.50 1gfe n GLY 22 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1gfe n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gfe s ILE 23 N -2.15 5.20 0.79 -0.61 1.01 -0.41 -4.89 121.20 120.14 1gfe s ILE 23 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 1gfe s ILE 23 Cb 0.00 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.87 1gfe s ILE 23 CO 0.00 0.16 1.11 -0.94 0.00 0.00 0.00 174.94 175.27 1gfe s SER 24 N 1.67 4.19 0.25 3.58 1.04 -1.26 0.04 113.70 123.21 1gfe s SER 24 Ca 0.13 1.93 -0.05 0.00 0.48 0.00 0.00 55.95 58.45 1gfe s SER 24 Cb -0.16 -2.54 0.28 0.00 0.10 0.00 0.00 66.02 63.70 1gfe s SER 24 CO 0.10 -2.25 1.81 0.25 0.98 0.00 0.00 173.24 174.14 1gfe h LEU 25 N -1.18 0.96 -1.19 2.42 5.85 -1.91 -2.38 115.31 117.88 1gfe h LEU 25 Ca -0.44 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.18 1gfe h LEU 25 Cb 1.24 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1gfe h LEU 25 CO 0.49 0.87 0.56 0.00 -0.34 0.00 0.00 178.44 180.03 1gfe h ALA 26 N 1.26 1.51 -0.43 1.25 0.00 -1.92 0.11 119.26 121.04 1gfe h ALA 26 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1gfe h ALA 26 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gfe h ALA 26 CO -0.02 0.39 0.11 -0.91 0.00 0.00 0.00 179.25 178.83 1gfe h ASN 27 N 1.02 0.64 -0.65 0.00 2.35 -1.75 -0.08 115.58 117.11 1gfe h ASN 27 Ca 0.35 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1gfe h ASN 27 Cb 0.11 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1gfe h ASN 27 CO -0.12 0.70 0.17 -0.50 -1.65 0.00 0.00 177.43 176.03 1gfe h TRP 28 N 0.55 1.11 -0.36 1.19 4.06 -1.02 -0.95 115.95 120.52 1gfe h TRP 28 Ca 0.14 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1gfe h TRP 28 Cb 0.30 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 1gfe h TRP 28 CO 0.02 0.90 0.11 0.52 -3.56 0.00 0.00 178.44 176.44 1gfe h MET 29 N 1.01 0.57 -0.67 0.49 2.86 -0.78 -1.17 114.93 117.24 1gfe h MET 29 Ca 0.21 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1gfe h MET 29 Cb 0.35 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1gfe h MET 29 CO 0.00 0.58 0.36 0.00 1.06 0.00 0.00 176.91 178.91 1gfe h LEU 31 N 0.94 -0.38 -1.20 0.00 5.85 -0.84 -1.69 115.31 117.99 1gfe h LEU 31 Ca 0.24 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1gfe h LEU 31 Cb 0.03 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1gfe h LEU 31 CO -0.04 -0.14 0.30 0.00 -0.34 0.00 0.00 178.44 178.22 1gfe h ALA 32 N 0.01 1.38 0.22 1.25 0.00 -1.02 0.84 119.26 121.94 1gfe h ALA 32 Ca -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1gfe h ALA 32 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gfe h ALA 32 CO 0.07 0.49 -0.10 -0.22 0.00 0.00 0.00 179.25 179.49 1gfe h LYS 33 N 0.86 -0.28 0.00 0.00 1.63 -0.84 -1.64 116.57 116.31 1gfe h LYS 33 Ca 0.21 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.99 1gfe h LYS 33 Cb 0.08 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1gfe h LYS 33 CO -0.03 -0.09 -0.19 -1.49 -3.45 0.00 0.00 179.45 174.20 1gfe h TRP 34 N -0.42 0.00 0.11 1.91 4.06 -1.11 -0.49 115.95 120.01 1gfe h TRP 34 Ca -0.03 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.78 1gfe h TRP 34 Cb 0.32 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.49 1gfe h TRP 34 CO -0.03 0.19 -0.64 0.93 -3.56 0.00 0.00 178.44 175.34 1gfe h GLU 35 N 0.00 0.23 0.00 0.49 4.39 -0.79 -3.43 114.58 115.47 1gfe h GLU 35 Ca -0.00 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1gfe h GLU 35 Cb 0.97 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1gfe h GLU 35 CO 0.03 1.19 0.00 -1.13 -1.16 0.00 0.00 179.01 177.93 1gfe n SER 36 N -4.23 0.13 -0.84 1.42 3.41 -0.67 -4.83 113.62 108.02 1gfe n SER 36 Ca -0.13 -0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 57.87 1gfe n SER 36 Cb 0.75 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 1gfe n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gfe n GLY 37 N 0.17 0.46 2.18 5.00 0.00 -0.19 -2.54 105.19 110.28 1gfe n GLY 37 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1gfe n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gfe n TYR 38 N -3.47 -0.19 -3.56 1.61 0.53 -1.09 -4.79 117.16 106.21 1gfe n TYR 38 Ca -0.09 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.38 1gfe n TYR 38 Cb 0.45 -1.87 -0.11 0.00 -1.03 0.00 0.00 39.34 36.78 1gfe n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gfe s ASN 39 N -2.78 5.89 0.56 7.72 2.47 -1.05 -1.23 114.94 126.53 1gfe s ASN 39 Ca 0.00 -0.61 0.34 0.00 0.42 0.00 0.00 52.86 53.01 1gfe s ASN 39 Cb 0.00 -2.09 1.55 0.00 -1.45 0.00 0.00 41.25 39.26 1gfe s ASN 39 CO 0.00 -0.28 2.06 0.71 -3.72 0.00 0.00 177.10 175.86 1gfe h THR 40 N 5.61 0.12 -0.17 -5.21 1.35 -1.50 -2.71 112.91 110.41 1gfe h THR 40 Ca -0.30 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1gfe h THR 40 Cb 1.14 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1gfe h THR 40 CO 0.65 0.04 0.00 0.54 -0.25 0.00 0.00 175.52 176.50 1gfe n ARG 41 N -3.18 2.05 -1.74 4.72 1.74 -1.26 -3.95 116.66 115.04 1gfe n ARG 41 Ca -0.00 -1.56 -0.42 0.00 -0.77 0.00 0.00 57.85 55.10 1gfe n ARG 41 Cb 0.26 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1gfe n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfe n ALA 42 N 0.82 2.37 -3.09 7.54 0.00 -1.03 -4.79 120.51 122.34 1gfe n ALA 42 Ca 0.17 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 1gfe n ALA 42 Cb 0.47 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.37 1gfe n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gfe s THR 43 N -0.23 0.04 -0.07 0.00 -4.23 -1.26 -0.84 115.64 109.05 1gfe s THR 43 Ca 0.62 -0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1gfe s THR 43 Cb -0.51 -0.35 0.04 0.00 1.34 0.00 0.00 72.50 73.03 1gfe s THR 43 CO 0.52 -0.18 0.09 0.21 -0.54 0.00 0.00 174.62 174.72 1gfe s ASN 44 N -0.61 1.19 -0.02 3.99 2.47 -0.71 -4.96 114.94 116.29 1gfe s ASN 44 Ca -0.07 0.05 -0.20 0.00 0.42 0.00 0.00 52.86 53.07 1gfe s ASN 44 Cb -0.04 -0.03 -0.05 0.00 -1.45 0.00 0.00 41.25 39.68 1gfe s ASN 44 CO 0.01 -0.26 0.56 -0.47 -3.72 0.00 0.00 177.10 173.21 1gfe s TYR 45 N 2.20 3.66 -0.53 0.43 6.14 -1.26 -0.49 117.35 127.50 1gfe s TYR 45 Ca 0.04 1.13 -0.09 0.00 0.64 0.00 0.00 57.07 58.79 1gfe s TYR 45 Cb -0.13 -2.57 0.14 0.00 0.42 0.00 0.00 41.96 39.82 1gfe s TYR 45 CO -0.05 0.34 0.40 -0.80 0.64 0.00 0.00 175.55 176.09 1gfe s ASN 46 N -0.12 5.75 0.51 4.32 0.01 0.18 -4.93 114.94 120.66 1gfe s ASN 46 Ca 0.30 -2.13 0.16 0.00 -0.71 0.00 0.00 52.86 50.48 1gfe s ASN 46 Cb -0.17 -2.01 1.25 0.00 0.41 0.00 0.00 41.25 40.72 1gfe s ASN 46 CO 0.16 -0.64 2.13 0.00 -1.51 0.00 0.00 177.10 177.24 1gfe h ALA 47 N 8.18 2.02 -0.47 0.60 0.00 -1.96 -0.06 119.26 127.57 1gfe h ALA 47 Ca -0.15 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1gfe h ALA 47 Cb 1.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1gfe h ALA 47 CO 0.83 -0.04 0.23 0.78 0.00 0.00 0.00 179.25 181.05 1gfe h GLY 48 N 0.05 0.66 -0.03 0.00 0.00 -1.95 -3.25 103.07 98.54 1gfe h GLY 48 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1gfe h GLY 48 CO -0.00 0.09 -0.02 2.09 0.00 0.00 0.00 176.54 178.70 1gfe n ASP 49 N -4.91 1.91 -2.60 0.19 5.75 -1.09 -5.01 116.55 110.80 1gfe n ASP 49 Ca 0.04 -2.25 -0.21 0.00 -0.01 0.00 0.00 54.79 52.36 1gfe n ASP 49 Cb 0.13 -0.13 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1gfe n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gfe n ARG 50 N -0.73 -3.05 -4.04 0.11 1.74 -0.06 -4.80 116.66 105.83 1gfe n ARG 50 Ca 0.05 0.94 -0.24 0.00 -0.77 0.00 0.00 57.85 57.84 1gfe n ARG 50 Cb 0.39 -5.66 -0.06 0.00 -1.02 0.00 0.00 32.46 26.11 1gfe n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gfe s SER 51 N -2.37 4.58 0.01 0.55 1.04 -1.16 -4.44 113.70 111.91 1gfe s SER 51 Ca 0.13 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.64 1gfe s SER 51 Cb -0.06 -0.56 -0.01 0.00 0.10 0.00 0.00 66.02 65.49 1gfe s SER 51 CO 0.16 -0.48 -0.07 -0.89 0.98 0.00 0.00 173.24 172.95 1gfe s THR 52 N -2.53 0.51 -0.16 2.02 2.01 -1.26 -0.65 115.64 115.58 1gfe s THR 52 Ca 0.41 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 1gfe s THR 52 Cb 0.01 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1gfe s THR 52 CO 0.23 0.04 0.22 -1.81 -0.69 0.00 0.00 174.62 172.61 1gfe s ASP 53 N -0.43 6.37 -0.01 3.53 1.01 0.35 -1.04 116.67 126.46 1gfe s ASP 53 Ca 0.00 0.43 0.08 0.00 0.71 0.00 0.00 52.55 53.76 1gfe s ASP 53 Cb -0.04 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 1gfe s ASP 53 CO -0.00 0.19 -0.25 -0.31 0.21 0.00 0.00 175.17 175.01 1gfe s TYR 54 N 0.12 2.19 0.00 4.23 2.02 0.07 -1.74 117.35 124.25 1gfe s TYR 54 Ca 0.14 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1gfe s TYR 54 Cb -0.12 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 1gfe s TYR 54 CO 0.02 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.39 1gfe n GLY 55 N 2.42 -1.48 0.32 0.71 0.00 -0.02 -1.28 105.19 105.87 1gfe n GLY 55 Ca -0.16 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.76 1gfe n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfe h ILE 56 N 0.00 0.73 -0.02 -0.61 2.10 -1.67 -0.88 117.51 117.17 1gfe h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1gfe h ILE 56 Cb 0.00 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1gfe h ILE 56 CO 0.00 0.00 -0.05 0.49 -1.08 0.00 0.00 178.15 177.51 1gfe n PHE 57 N -4.22 0.00 -3.63 2.19 0.99 -1.26 -3.91 117.46 107.62 1gfe n PHE 57 Ca 0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.21 1gfe n PHE 57 Cb 0.32 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 38.84 1gfe n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gfe n GLN 58 N 0.77 -2.15 -2.76 -1.08 1.13 -0.33 -4.92 117.38 108.03 1gfe n GLN 58 Ca 0.09 0.55 -0.42 0.00 -1.94 0.00 0.00 57.00 55.29 1gfe n GLN 58 Cb 0.40 -4.63 -0.03 0.00 0.11 0.00 0.00 30.24 26.09 1gfe n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gfe s ILE 59 N -3.52 4.86 0.22 5.09 1.01 -0.40 -4.41 121.20 124.04 1gfe s ILE 59 Ca 0.36 1.97 -0.30 0.00 0.00 0.00 0.00 60.65 62.68 1gfe s ILE 59 Cb -0.11 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 38.00 1gfe s ILE 59 CO 0.83 0.19 0.97 0.21 0.00 0.00 0.00 174.94 177.14 1gfe s ASN 60 N 0.87 7.56 0.53 3.58 3.84 -1.26 -0.75 114.94 129.32 1gfe s ASN 60 Ca 0.49 1.96 0.32 0.00 0.21 0.00 0.00 52.86 55.84 1gfe s ASN 60 Cb -0.21 -2.61 1.31 0.00 -0.55 0.00 0.00 41.25 39.19 1gfe s ASN 60 CO 0.27 0.07 1.97 0.77 -2.79 0.00 0.00 177.10 177.38 1gfe h SER 61 N 4.44 0.00 -0.75 -4.21 4.64 -1.32 -2.40 113.55 113.94 1gfe h SER 61 Ca -0.45 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1gfe h SER 61 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1gfe h SER 61 CO 0.69 0.06 0.50 -0.09 -0.87 0.00 0.00 176.83 177.11 1gfe h ARG 62 N 0.00 0.95 0.00 4.77 2.43 -1.84 -3.38 114.38 117.32 1gfe h ARG 62 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1gfe h ARG 62 Cb 0.54 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1gfe h ARG 62 CO 0.01 0.63 -0.76 0.66 -1.51 0.00 0.00 179.97 179.00 1gfe n TYR 63 N -4.43 0.00 -0.08 2.20 4.01 -1.22 -0.44 117.16 117.19 1gfe n TYR 63 Ca 0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.66 1gfe n TYR 63 Cb 0.06 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.95 1gfe n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gfe n TRP 64 N -1.46 0.37 -4.12 -0.72 7.02 -0.90 -0.30 117.44 117.33 1gfe n TRP 64 Ca 0.00 0.09 -0.08 0.00 -1.02 0.00 0.00 57.50 56.49 1gfe n TRP 64 Cb 0.25 -1.05 -0.10 0.00 -2.42 0.00 0.00 31.31 27.98 1gfe n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gfe s ASN 66 N -2.97 5.45 0.00 0.00 2.47 -0.20 -4.55 114.94 115.13 1gfe s ASN 66 Ca 0.10 -0.08 0.05 0.00 0.42 0.00 0.00 52.86 53.35 1gfe s ASN 66 Cb 0.07 -1.97 0.06 0.00 -1.45 0.00 0.00 41.25 37.96 1gfe s ASN 66 CO -0.08 0.03 0.76 -0.90 -3.72 0.00 0.00 177.10 173.19 1gfe n ASP 67 N 4.52 1.66 0.00 -4.21 5.68 -1.26 -1.47 116.55 121.47 1gfe n ASP 67 Ca -0.16 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 1gfe n ASP 67 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1gfe n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gfe n GLY 68 N 0.24 1.19 0.08 6.12 0.00 -1.26 -4.81 105.19 106.75 1gfe n GLY 68 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1gfe n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gfe n LYS 69 N -2.00 1.53 -3.83 1.61 2.85 -1.26 -4.97 118.16 112.09 1gfe n LYS 69 Ca 0.00 -2.29 -0.36 0.00 -1.05 0.00 0.00 58.31 54.61 1gfe n LYS 69 Cb 0.00 -1.35 -0.13 0.00 -0.65 0.00 0.00 35.03 32.90 1gfe n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gfe s THR 70 N -2.37 3.60 0.06 0.58 2.01 -1.26 -4.92 115.64 113.34 1gfe s THR 70 Ca 0.24 -0.82 -0.34 0.00 0.31 0.00 0.00 61.69 61.08 1gfe s THR 70 Cb 0.21 -2.86 -0.13 0.00 0.01 0.00 0.00 72.50 69.73 1gfe s THR 70 CO 0.02 0.11 1.66 -2.65 -0.69 0.00 0.00 174.62 173.07 1gfe n PRO 71 N 4.80 2.04 -1.70 4.92 -0.02 -1.26 -2.49 135.00 141.28 1gfe n PRO 71 Ca -0.15 0.74 -0.21 0.00 -2.02 0.00 0.00 63.50 61.86 1gfe n PRO 71 Cb 0.48 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 1gfe n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gfe n GLY 72 N 3.68 1.67 3.83 -1.23 0.00 -1.26 -4.97 105.19 106.91 1gfe n GLY 72 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1gfe n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfe s ALA 73 N -2.79 2.78 0.45 4.61 0.00 -1.04 -5.04 121.76 120.74 1gfe s ALA 73 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1gfe s ALA 73 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1gfe s ALA 73 CO 0.00 -1.10 0.02 0.14 0.00 0.00 0.00 175.76 174.82 1gfe s VAL 74 N -3.10 1.34 -0.48 0.00 -7.23 0.42 -5.00 120.40 106.34 1gfe s VAL 74 Ca 0.57 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1gfe s VAL 74 Cb -0.13 -2.48 0.21 0.00 0.56 0.00 0.00 36.38 34.55 1gfe s VAL 74 CO 0.55 0.00 0.50 -3.20 -0.31 0.00 0.00 175.10 172.64 1gfe n ASN 75 N -1.14 0.99 0.23 4.85 5.15 -1.23 -3.86 115.26 120.25 1gfe n ASN 75 Ca -0.12 -2.80 0.06 0.00 -0.60 0.00 0.00 54.58 51.12 1gfe n ASN 75 Cb 0.67 -0.63 0.53 0.00 -0.53 0.00 0.00 39.78 39.81 1gfe n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gfe h ALA 76 N 4.73 1.67 -0.00 5.20 0.00 -0.65 -1.64 119.26 128.57 1gfe h ALA 76 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gfe h ALA 76 Cb 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1gfe h ALA 76 CO 0.53 0.21 -0.26 0.00 0.00 0.00 0.00 179.25 179.74 1gfe n HIS 78 N -1.28 -1.99 -3.96 0.00 -0.00 -0.62 -4.95 115.22 102.43 1gfe n HIS 78 Ca 0.09 0.74 -0.09 0.00 -0.00 0.00 0.00 57.72 58.45 1gfe n HIS 78 Cb 0.32 -4.09 -0.11 0.00 -0.00 0.00 0.00 29.99 26.12 1gfe n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gfe s LEU 79 N -6.43 2.07 0.30 2.41 1.43 -1.26 -5.07 118.68 112.12 1gfe s LEU 79 Ca 0.20 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.57 1gfe s LEU 79 Cb -0.05 0.26 -0.09 0.00 0.03 0.00 0.00 46.19 46.33 1gfe s LEU 79 CO 0.82 -0.33 1.05 -0.55 0.23 0.00 0.00 176.35 177.57 1gfe s SER 80 N -1.51 7.24 0.62 2.29 0.15 -1.26 -1.03 113.70 120.19 1gfe s SER 80 Ca -0.15 2.15 0.33 0.00 0.70 0.00 0.00 55.95 58.99 1gfe s SER 80 Cb -0.09 -2.61 1.90 0.00 -1.71 0.00 0.00 66.02 63.51 1gfe s SER 80 CO -0.01 -0.16 2.18 0.00 1.20 0.00 0.00 173.24 176.46 1gfe h SER 82 N 0.00 0.56 0.12 0.00 0.87 -1.89 -0.56 113.55 112.64 1gfe h SER 82 Ca 0.03 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1gfe h SER 82 Cb 0.28 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1gfe h SER 82 CO -0.00 0.33 -0.02 0.00 -0.53 0.00 0.00 176.83 176.61 1gfe h ALA 83 N 1.63 1.30 -0.27 6.23 0.00 -1.40 0.01 119.26 126.77 1gfe h ALA 83 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1gfe h ALA 83 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1gfe h ALA 83 CO -0.12 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1gfe n LEU 84 N -3.55 1.46 -0.03 0.00 4.77 -0.22 -3.43 117.00 116.00 1gfe n LEU 84 Ca -0.03 -0.72 0.01 0.00 -0.03 0.00 0.00 56.01 55.24 1gfe n LEU 84 Cb 0.12 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1gfe n LEU 84 CO 0.26 0.36 0.51 0.18 -1.33 0.00 0.00 177.39 177.37 1gfe n LEU 85 N 0.29 2.07 -4.86 2.23 4.77 -0.01 -2.93 117.00 118.56 1gfe n LEU 85 Ca 0.10 -2.11 -0.31 0.00 -0.03 0.00 0.00 56.01 53.66 1gfe n LEU 85 Cb 0.24 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1gfe n LEU 85 CO 0.07 0.53 0.68 -1.10 -1.33 0.00 0.00 177.39 176.24 1gfe s GLN 86 N -1.18 3.76 0.26 3.23 -0.21 -1.22 -4.61 119.66 119.69 1gfe s GLN 86 Ca 0.04 0.82 0.05 0.00 0.02 0.00 0.00 55.36 56.29 1gfe s GLN 86 Cb 0.03 -2.12 0.34 0.00 1.00 0.00 0.00 33.01 32.26 1gfe s GLN 86 CO 0.01 -0.40 1.63 -0.44 -2.12 0.00 0.00 175.29 173.96 1gfe h ASP 87 N 0.32 0.27 -3.16 5.90 5.19 -1.93 -3.40 116.42 119.59 1gfe h ASP 87 Ca -0.45 -0.13 -0.58 0.00 -0.62 0.00 0.00 57.03 55.24 1gfe h ASP 87 Cb 1.19 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.56 1gfe h ASP 87 CO 0.62 0.73 0.78 0.21 -3.12 0.00 0.00 179.24 178.46 1gfe s ASN 88 N -6.89 7.03 0.00 6.45 3.84 -1.26 -4.93 114.94 119.18 1gfe s ASN 88 Ca -0.04 1.25 0.16 0.00 0.21 0.00 0.00 52.86 54.43 1gfe s ASN 88 Cb 0.13 -2.53 0.56 0.00 -0.55 0.00 0.00 41.25 38.86 1gfe s ASN 88 CO 0.79 -0.72 1.42 2.30 -2.79 0.00 0.00 177.10 178.09 1gfe n ILE 89 N 5.47 0.29 -0.10 -5.21 -5.35 -1.26 -4.45 119.36 108.75 1gfe n ILE 89 Ca 0.11 -0.35 -0.07 0.00 -0.27 0.00 0.00 62.75 62.18 1gfe n ILE 89 Cb 0.46 0.25 -0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1gfe n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gfe h ALA 90 N 3.80 -0.03 -0.60 -1.28 0.00 -1.95 0.12 119.26 119.32 1gfe h ALA 90 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1gfe h ALA 90 Cb 0.42 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1gfe h ALA 90 CO 0.00 -0.63 0.19 -0.44 0.00 0.00 0.00 179.25 178.37 1gfe h ASP 91 N -0.19 0.84 -0.33 0.00 3.45 -1.87 -0.27 116.42 118.06 1gfe h ASP 91 Ca 0.18 -0.14 -0.10 0.00 0.43 0.00 0.00 57.03 57.40 1gfe h ASP 91 Cb 0.47 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 1gfe h ASP 91 CO -0.48 0.79 -0.15 0.00 -1.57 0.00 0.00 179.24 177.83 1gfe h ALA 92 N 1.32 0.95 -0.39 3.45 0.00 -1.59 -0.75 119.26 122.27 1gfe h ALA 92 Ca 0.20 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1gfe h ALA 92 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1gfe h ALA 92 CO -0.01 0.61 -0.30 0.28 0.00 0.00 0.00 179.25 179.83 1gfe h VAL 93 N 0.69 1.28 -0.56 0.00 2.07 -0.29 0.20 116.25 119.64 1gfe h VAL 93 Ca 0.11 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 1gfe h VAL 93 Cb 0.64 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1gfe h VAL 93 CO 0.04 0.49 0.05 0.00 0.02 0.00 0.00 177.57 178.17 1gfe h ALA 94 N 0.94 1.04 -0.21 1.67 0.00 -0.75 -0.53 119.26 121.43 1gfe h ALA 94 Ca 0.08 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1gfe h ALA 94 Cb 0.85 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1gfe h ALA 94 CO 0.08 0.61 -0.68 0.00 0.00 0.00 0.00 179.25 179.25 1gfe h ALA 96 N 0.62 1.50 -0.46 0.00 0.00 -0.23 -0.20 119.26 120.49 1gfe h ALA 96 Ca -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1gfe h ALA 96 Cb 1.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1gfe h ALA 96 CO 0.14 0.42 -0.03 0.87 0.00 0.00 0.00 179.25 180.65 1gfe h LYS 97 N 0.76 0.84 -0.67 0.00 1.57 -1.00 -2.50 116.57 115.57 1gfe h LYS 97 Ca 0.20 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1gfe h LYS 97 Cb 0.02 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1gfe h LYS 97 CO -0.03 0.91 0.41 -0.09 -0.57 0.00 0.00 179.45 180.07 1gfe h ARG 98 N 0.68 0.77 -0.02 3.15 9.65 -0.65 -2.21 114.38 125.76 1gfe h ARG 98 Ca 0.13 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1gfe h ARG 98 Cb 0.55 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 1gfe h ARG 98 CO 0.03 0.51 -0.15 0.28 2.80 0.00 0.00 179.97 183.44 1gfe h VAL 99 N 0.80 0.62 0.00 0.20 2.07 -0.85 -2.42 116.25 116.66 1gfe h VAL 99 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 1gfe h VAL 99 Cb 0.05 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1gfe h VAL 99 CO -0.12 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.80 1gfe n VAL 100 N -5.29 0.33 0.49 2.57 0.24 -0.96 -2.53 118.33 113.18 1gfe n VAL 100 Ca -0.05 0.08 0.13 0.00 -2.04 0.00 0.00 64.34 62.46 1gfe n VAL 100 Cb 0.21 -0.73 0.43 0.00 -1.47 0.00 0.00 33.84 32.28 1gfe n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfe h ARG 101 N 0.00 0.00 -7.47 7.34 3.08 -0.88 -3.37 114.38 113.09 1gfe h ARG 101 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1gfe h ARG 101 Cb 0.20 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.36 1gfe h ARG 101 CO 0.00 0.00 0.34 -0.51 -1.07 0.00 0.00 179.97 178.73 1gfe s ASP 102 N -4.65 4.31 0.34 7.04 -0.00 -1.05 -4.94 116.67 117.71 1gfe s ASP 102 Ca 0.08 1.12 0.12 0.00 -0.00 0.00 0.00 52.55 53.87 1gfe s ASP 102 Cb 0.10 -1.79 0.99 0.00 -0.00 0.00 0.00 42.92 42.22 1gfe s ASP 102 CO 0.53 -2.07 1.70 1.55 -0.00 0.00 0.00 175.17 176.89 1gfe h PRO 103 N -1.16 0.45 0.00 8.23 0.13 -1.88 -2.09 132.00 135.68 1gfe h PRO 103 Ca -0.48 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 1gfe h PRO 103 Cb 1.29 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1gfe h PRO 103 CO 0.61 0.30 -0.30 1.96 -0.23 0.00 0.00 178.00 180.34 1gfe h GLN 104 N 0.46 0.00 0.00 0.86 4.20 -1.90 -3.49 115.11 115.24 1gfe h GLN 104 Ca 0.68 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.39 1gfe h GLN 104 Cb 1.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1gfe h GLN 104 CO -0.51 0.30 0.00 0.41 -0.67 0.00 0.00 178.83 178.36 1gfe n GLY 105 N 0.08 2.02 0.28 3.46 0.00 -0.79 -2.22 105.19 108.01 1gfe n GLY 105 Ca -0.00 -0.57 0.19 0.00 0.00 0.00 0.00 46.02 45.64 1gfe n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfe h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.92 -2.45 117.51 118.62 1gfe h ILE 106 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 1gfe h ILE 106 Cb 0.00 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.29 1gfe h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gfe n ARG 107 N -2.85 0.03 -0.19 2.19 1.74 -0.94 -2.99 116.66 113.65 1gfe n ARG 107 Ca -0.02 0.35 0.15 0.00 -0.77 0.00 0.00 57.85 57.57 1gfe n ARG 107 Cb 0.12 -1.57 0.49 0.00 -1.02 0.00 0.00 32.46 30.48 1gfe n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfe h ALA 108 N 2.32 2.08 -2.41 7.54 0.00 -1.61 -3.38 119.26 123.81 1gfe h ALA 108 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1gfe h ALA 108 Cb 0.19 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.78 1gfe h ALA 108 CO 0.00 -0.30 0.08 -1.58 0.00 0.00 0.00 179.25 177.45 1gfe s TRP 109 N -5.45 3.19 0.39 0.00 0.51 -1.16 -4.95 118.94 111.48 1gfe s TRP 109 Ca -0.08 0.41 0.07 0.00 -2.12 0.00 0.00 56.10 54.37 1gfe s TRP 109 Cb 0.21 -2.99 0.81 0.00 -0.81 0.00 0.00 33.47 30.69 1gfe s TRP 109 CO 0.77 -0.52 2.00 0.28 -0.51 0.00 0.00 176.95 178.97 1gfe h VAL 110 N 5.59 1.13 0.00 4.03 2.07 -1.90 -0.79 116.25 126.38 1gfe h VAL 110 Ca -0.27 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1gfe h VAL 110 Cb 1.12 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1gfe h VAL 110 CO 0.79 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 178.39 1gfe h ALA 111 N 1.68 1.60 -0.36 1.67 0.00 -1.93 0.40 119.26 122.32 1gfe h ALA 111 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1gfe h ALA 111 Cb 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1gfe h ALA 111 CO -0.01 0.19 -0.15 2.35 0.00 0.00 0.00 179.25 181.62 1gfe h TRP 112 N 0.00 0.85 -0.48 0.00 7.01 -1.46 0.44 115.95 122.31 1gfe h TRP 112 Ca -0.00 -0.21 -0.04 0.00 2.11 0.00 0.00 58.89 60.76 1gfe h TRP 112 Cb 0.29 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1gfe h TRP 112 CO 0.00 0.93 0.16 0.00 -2.79 0.00 0.00 178.44 176.73 1gfe h ARG 113 N 0.54 0.74 -0.60 2.65 3.08 -1.14 0.13 114.38 119.77 1gfe h ARG 113 Ca 0.08 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1gfe h ARG 113 Cb 0.69 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1gfe h ARG 113 CO 0.05 0.69 0.05 -0.91 -1.07 0.00 0.00 179.97 178.78 1gfe h ASN 114 N 0.64 1.00 0.00 7.04 2.35 -0.80 -3.36 115.58 122.45 1gfe h ASN 114 Ca 0.16 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1gfe h ASN 114 Cb 0.26 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1gfe h ASN 114 CO -0.01 1.03 0.00 0.54 -1.65 0.00 0.00 177.43 177.35 1gfe n ARG 115 N -4.25 0.49 0.00 0.81 1.74 0.13 -4.86 116.66 110.73 1gfe n ARG 115 Ca 0.03 -0.78 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 1gfe n ARG 115 Cb 0.31 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1gfe n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfe n GLN 117 N -2.05 2.56 -3.21 0.00 7.27 -0.00 -2.11 117.38 119.83 1gfe n GLN 117 Ca 0.00 0.92 -0.23 0.00 0.07 0.00 0.00 57.00 57.76 1gfe n GLN 117 Cb 0.28 -2.72 0.01 0.00 2.41 0.00 0.00 30.24 30.22 1gfe n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gfe n ASN 118 N 3.33 -4.75 -4.47 1.69 5.03 -1.26 -4.95 115.26 109.87 1gfe n ASN 118 Ca 0.14 -0.34 -0.24 0.00 0.87 0.00 0.00 54.58 55.02 1gfe n ASN 118 Cb 0.33 -3.88 -0.10 0.00 -1.02 0.00 0.00 39.78 35.11 1gfe n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gfe s ARG 119 N -5.88 1.67 -0.71 3.52 1.81 -0.90 -5.07 118.95 113.39 1gfe s ARG 119 Ca 0.36 -1.80 -0.25 0.00 -1.72 0.00 0.00 55.73 52.32 1gfe s ARG 119 Cb -0.18 -1.62 0.05 0.00 -0.45 0.00 0.00 34.95 32.75 1gfe s ARG 119 CO 0.44 0.23 1.16 0.34 -0.68 0.00 0.00 175.30 176.79 1gfe s ASP 120 N -3.51 6.17 0.00 0.23 -1.08 -1.26 -4.85 116.67 112.37 1gfe s ASP 120 Ca 0.30 -0.65 0.22 0.00 -0.52 0.00 0.00 52.55 51.89 1gfe s ASP 120 Cb -0.02 -2.51 0.53 0.00 -1.46 0.00 0.00 42.92 39.47 1gfe s ASP 120 CO 0.14 -1.68 1.45 1.33 0.52 0.00 0.00 175.17 176.92 1gfe n VAL 121 N 6.21 0.45 -0.29 1.11 0.24 -1.26 -4.52 118.33 120.27 1gfe n VAL 121 Ca 0.00 -0.63 0.07 0.00 -2.04 0.00 0.00 64.34 61.75 1gfe n VAL 121 Cb 0.48 0.71 0.30 0.00 -1.47 0.00 0.00 33.84 33.85 1gfe n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfe h ARG 122 N 3.63 0.86 -0.36 7.34 3.08 -1.93 -2.15 114.38 124.84 1gfe h ARG 122 Ca 0.00 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.10 1gfe h ARG 122 Cb 0.80 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1gfe h ARG 122 CO 0.00 0.57 0.40 -0.56 -1.07 0.00 0.00 179.97 179.30 1gfe h GLN 123 N 0.88 0.00 0.00 0.04 3.07 -1.98 -2.05 115.11 115.07 1gfe h GLN 123 Ca 0.42 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.09 1gfe h GLN 123 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1gfe h GLN 123 CO -0.18 0.00 -0.34 1.88 0.09 0.00 0.00 178.83 180.28 1gfe h TYR 124 N 0.00 0.00 -0.06 0.06 0.05 -1.73 -3.24 116.97 112.05 1gfe h TYR 124 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1gfe h TYR 124 Cb 0.96 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1gfe h TYR 124 CO 0.00 0.34 0.00 1.33 -1.05 0.00 0.00 178.16 178.78 1gfe n VAL 125 N -3.88 0.41 -1.92 -2.88 0.24 -0.79 -4.78 118.33 104.73 1gfe n VAL 125 Ca -0.01 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.34 61.16 1gfe n VAL 125 Cb 0.41 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 1gfe n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gfe s GLN 126 N -0.63 4.21 0.00 7.34 -1.52 -1.12 -2.34 119.66 125.61 1gfe s GLN 126 Ca 0.07 2.38 0.00 0.00 -1.95 0.00 0.00 55.36 55.85 1gfe s GLN 126 Cb 0.04 -3.19 0.00 0.00 -0.22 0.00 0.00 33.01 29.64 1gfe s GLN 126 CO 0.06 -0.63 0.00 0.41 -0.25 0.00 0.00 175.29 174.88 1gfe n GLY 127 N 3.79 0.91 0.33 3.09 0.00 -1.26 -4.90 105.19 107.15 1gfe n GLY 127 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1gfe n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfe n GLY 129 N 1.19 -0.13 0.17 0.00 0.00 -1.26 -4.77 105.19 100.39 1gfe n GLY 129 Ca 0.18 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1gfe n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65