#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gay s GLY 2 N 0.00 1.75 0.52 3.14 0.00 -1.26 -1.12 107.32 110.35 1gay s GLY 2 Ca 0.00 -1.52 -0.18 0.00 0.00 0.00 0.00 44.72 43.02 1gay s GLY 2 CO 0.00 0.64 1.02 -1.36 0.00 0.00 0.00 173.10 173.40 1gay s PHE 3 N 1.42 3.14 0.17 1.90 0.08 -0.13 -5.01 117.98 119.55 1gay s PHE 3 Ca 0.01 1.54 -0.06 0.00 0.12 0.00 0.00 56.93 58.53 1gay s PHE 3 Cb -0.18 -2.96 -0.06 0.00 -0.57 0.00 0.00 43.02 39.25 1gay s PHE 3 CO 0.00 -0.72 0.43 -1.21 -0.10 0.00 0.00 175.22 173.63 1gay s GLU 4 N -3.67 3.68 0.01 0.44 0.41 -1.26 -4.86 118.70 113.44 1gay s GLU 4 Ca 0.64 0.03 -0.01 0.00 -0.41 0.00 0.00 54.97 55.21 1gay s GLU 4 Cb -0.14 -2.78 -0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1gay s GLU 4 CO 0.27 0.42 1.02 -0.09 -0.49 0.00 0.00 175.26 176.39 1gay h ARG 5 N 2.72 -0.01 -0.23 1.61 2.43 -1.97 -1.32 114.38 117.61 1gay h ARG 5 Ca -0.46 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 1gay h ARG 5 Cb 1.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1gay h ARG 5 CO 0.71 -0.01 -0.18 0.00 -1.51 0.00 0.00 179.97 178.99 1gay h GLU 7 N 0.36 -0.00 -0.57 0.00 4.81 -1.90 -1.29 114.58 115.99 1gay h GLU 7 Ca 0.06 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1gay h GLU 7 Cb 0.52 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1gay h GLU 7 CO 0.03 -0.00 0.22 1.25 -0.73 0.00 0.00 179.01 179.79 1gay h LEU 8 N -0.00 0.79 -0.71 1.64 5.85 -0.89 -1.37 115.31 120.62 1gay h LEU 8 Ca 0.15 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1gay h LEU 8 Cb 0.23 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1gay h LEU 8 CO -0.32 0.75 0.37 0.00 -0.34 0.00 0.00 178.44 178.89 1gay h ALA 9 N 1.07 0.97 -0.04 1.25 0.00 -0.58 0.18 119.26 122.12 1gay h ALA 9 Ca 0.19 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1gay h ALA 9 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gay h ALA 9 CO -0.01 -0.01 -0.70 0.00 0.00 0.00 0.00 179.25 178.52 1gay h ARG 10 N 0.64 0.22 -0.66 0.00 3.08 -1.14 -1.95 114.38 114.57 1gay h ARG 10 Ca 0.34 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1gay h ARG 10 Cb 0.32 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1gay h ARG 10 CO -0.24 0.84 0.37 1.15 -1.07 0.00 0.00 179.97 181.01 1gay h THR 11 N 0.15 1.20 -0.33 2.04 2.02 0.07 -0.38 112.91 117.69 1gay h THR 11 Ca -0.02 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.52 1gay h THR 11 Cb 1.25 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1gay h THR 11 CO 0.11 0.22 -0.32 -0.07 0.37 0.00 0.00 175.52 175.84 1gay h LEU 12 N 0.90 0.85 -0.76 2.58 3.38 -0.60 -2.55 115.31 119.10 1gay h LEU 12 Ca 0.23 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1gay h LEU 12 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1gay h LEU 12 CO -0.04 1.14 0.32 0.50 0.09 0.00 0.00 178.44 180.45 1gay h LYS 13 N 0.57 1.13 0.00 1.13 3.64 -1.12 -1.53 116.57 120.39 1gay h LYS 13 Ca 0.05 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1gay h LYS 13 Cb 0.89 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1gay h LYS 13 CO 0.08 0.91 -0.09 0.00 -2.27 0.00 0.00 179.45 178.08 1gay h ARG 14 N 1.10 0.00 -0.53 1.90 3.08 -0.96 -1.66 114.38 117.30 1gay h ARG 14 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1gay h ARG 14 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1gay h ARG 14 CO -0.02 0.09 0.00 1.28 -1.07 0.00 0.00 179.97 180.25 1gay n LEU 15 N -3.59 2.86 -0.27 3.04 4.77 -0.64 -4.95 117.00 118.23 1gay n LEU 15 Ca -0.02 -1.43 -0.03 0.00 -0.03 0.00 0.00 56.01 54.50 1gay n LEU 15 Cb 0.21 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1gay n LEU 15 CO 0.29 0.65 -0.03 0.61 -1.33 0.00 0.00 177.39 177.58 1gay n GLY 16 N 1.20 0.39 0.15 -0.72 0.00 -0.62 -4.98 105.19 100.61 1gay n GLY 16 Ca 0.17 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.43 1gay n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gay h MET 17 N 0.00 0.00 -5.61 1.61 2.86 -1.56 -3.40 114.93 108.83 1gay h MET 17 Ca -0.06 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.20 1gay h MET 17 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1gay h MET 17 CO 0.08 0.10 1.28 0.34 1.06 0.00 0.00 176.91 179.77 1gay s ASP 18 N -5.82 4.44 0.00 1.22 -1.08 -1.26 -1.77 116.67 112.39 1gay s ASP 18 Ca 0.02 0.75 0.00 0.00 -0.52 0.00 0.00 52.55 52.80 1gay s ASP 18 Cb 0.08 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1gay s ASP 18 CO 0.75 -3.02 0.00 0.61 0.52 0.00 0.00 175.17 174.03 1gay n GLY 19 N 6.15 0.69 3.67 2.66 0.00 0.67 -4.91 105.19 114.12 1gay n GLY 19 Ca 0.37 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 1gay n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gay n TYR 20 N -2.57 2.50 -3.58 1.61 9.36 -0.73 -0.94 117.16 122.81 1gay n TYR 20 Ca 0.00 -0.23 -0.27 0.00 3.32 0.00 0.00 57.90 60.73 1gay n TYR 20 Cb 0.00 -2.75 0.02 0.00 -0.63 0.00 0.00 39.34 35.98 1gay n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gay n ARG 21 N 6.73 -4.74 -0.98 2.98 5.12 -1.26 -1.26 116.66 123.24 1gay n ARG 21 Ca 0.20 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 1gay n ARG 21 Cb 0.37 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.23 1gay n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gay n GLY 22 N -1.50 0.65 3.51 -0.13 0.00 -0.12 -4.98 105.19 102.62 1gay n GLY 22 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gay n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gay s ILE 23 N -2.69 5.18 0.86 -0.61 1.01 -0.39 -4.90 121.20 119.65 1gay s ILE 23 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1gay s ILE 23 Cb 0.00 -3.90 0.11 0.00 0.01 0.00 0.00 42.46 38.69 1gay s ILE 23 CO 0.00 -0.23 1.14 -0.94 0.00 0.00 0.00 174.94 174.92 1gay s SER 24 N 1.74 3.45 0.29 3.58 1.04 -1.26 -0.24 113.70 122.31 1gay s SER 24 Ca 0.10 2.14 -0.02 0.00 0.48 0.00 0.00 55.95 58.64 1gay s SER 24 Cb -0.17 -2.56 0.43 0.00 0.10 0.00 0.00 66.02 63.82 1gay s SER 24 CO 0.12 -2.75 1.91 0.25 0.98 0.00 0.00 173.24 173.75 1gay h LEU 25 N -1.47 0.88 -1.04 2.42 5.85 -1.91 -1.99 115.31 118.04 1gay h LEU 25 Ca -0.44 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.27 1gay h LEU 25 Cb 1.26 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1gay h LEU 25 CO 0.45 0.72 0.64 0.00 -0.34 0.00 0.00 178.44 179.90 1gay h ALA 26 N 1.43 1.43 -0.31 1.25 0.00 -1.91 -0.75 119.26 120.40 1gay h ALA 26 Ca 0.25 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1gay h ALA 26 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1gay h ALA 26 CO -0.04 0.43 -0.28 -0.91 0.00 0.00 0.00 179.25 178.44 1gay h ASN 27 N 1.15 0.64 -0.09 0.00 2.35 -1.69 -0.72 115.58 117.23 1gay h ASN 27 Ca 0.42 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 1gay h ASN 27 Cb 0.17 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1gay h ASN 27 CO -0.17 0.90 -0.45 -0.50 -1.65 0.00 0.00 177.43 175.56 1gay h TRP 28 N 0.54 0.77 -0.29 1.19 4.06 -1.16 -1.39 115.95 119.68 1gay h TRP 28 Ca 0.07 -0.24 -0.05 0.00 2.06 0.00 0.00 58.89 60.73 1gay h TRP 28 Cb 0.76 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.76 1gay h TRP 28 CO 0.03 0.97 -0.01 0.52 -3.56 0.00 0.00 178.44 176.39 1gay h MET 29 N 0.51 0.52 -0.80 0.49 2.86 -0.97 -1.33 114.93 116.21 1gay h MET 29 Ca 0.03 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1gay h MET 29 Cb 0.98 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 1gay h MET 29 CO 0.09 0.68 0.53 0.00 1.06 0.00 0.00 176.91 179.27 1gay h LEU 31 N 1.07 0.03 -1.13 0.00 5.85 -1.12 -2.02 115.31 117.99 1gay h LEU 31 Ca 0.30 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1gay h LEU 31 Cb -0.09 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1gay h LEU 31 CO -0.08 0.17 0.31 0.00 -0.34 0.00 0.00 178.44 178.50 1gay h ALA 32 N 0.86 1.32 0.17 1.25 0.00 -0.91 -0.51 119.26 121.45 1gay h ALA 32 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1gay h ALA 32 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1gay h ALA 32 CO -0.00 0.53 -0.08 -0.22 0.00 0.00 0.00 179.25 179.47 1gay h LYS 33 N 0.92 -0.22 0.00 0.00 1.63 -0.85 -2.14 116.57 115.91 1gay h LYS 33 Ca 0.23 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1gay h LYS 33 Cb 0.10 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1gay h LYS 33 CO -0.03 -0.05 -0.07 -1.49 -3.45 0.00 0.00 179.45 174.36 1gay h TRP 34 N -0.34 0.00 0.10 1.91 4.06 -1.15 -0.43 115.95 120.10 1gay h TRP 34 Ca -0.02 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.69 1gay h TRP 34 Cb 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1gay h TRP 34 CO -0.03 0.07 -1.18 0.93 -3.56 0.00 0.00 178.44 174.67 1gay h GLU 35 N 0.00 0.21 0.00 0.49 4.39 -1.07 -3.44 114.58 115.16 1gay h GLU 35 Ca -0.00 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1gay h GLU 35 Cb 0.76 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1gay h GLU 35 CO 0.01 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.90 1gay n SER 36 N -4.06 0.08 -1.59 1.42 3.41 -0.85 -4.81 113.62 107.21 1gay n SER 36 Ca -0.23 -0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 57.54 1gay n SER 36 Cb 0.83 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 1gay n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gay n GLY 37 N 0.04 -0.13 2.23 5.00 0.00 -0.17 -2.51 105.19 109.65 1gay n GLY 37 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1gay n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gay n TYR 38 N -4.02 -0.46 -4.06 1.61 0.53 -1.13 -4.79 117.16 104.85 1gay n TYR 38 Ca -0.13 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.40 1gay n TYR 38 Cb 0.60 -2.53 -0.12 0.00 -1.03 0.00 0.00 39.34 36.26 1gay n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gay s ASN 39 N -2.55 4.93 0.44 7.72 2.47 -1.04 -0.96 114.94 125.94 1gay s ASN 39 Ca 0.00 -0.17 0.24 0.00 0.42 0.00 0.00 52.86 53.35 1gay s ASN 39 Cb 0.00 -1.84 0.69 0.00 -1.45 0.00 0.00 41.25 38.64 1gay s ASN 39 CO 0.00 0.07 1.73 0.71 -3.72 0.00 0.00 177.10 175.88 1gay h THR 40 N 5.34 0.32 -0.08 -5.21 1.35 -1.45 -3.08 112.91 110.10 1gay h THR 40 Ca -0.36 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 1gay h THR 40 Cb 1.18 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1gay h THR 40 CO 0.62 0.16 0.00 0.54 -0.25 0.00 0.00 175.52 176.58 1gay n ARG 41 N -3.21 2.08 -1.80 4.72 1.74 -1.26 -4.09 116.66 114.85 1gay n ARG 41 Ca 0.02 -1.59 -0.41 0.00 -0.77 0.00 0.00 57.85 55.10 1gay n ARG 41 Cb 0.49 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 1gay n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gay s ALA 42 N -1.92 3.73 0.04 7.54 0.00 -1.23 -4.80 121.76 125.12 1gay s ALA 42 Ca 0.33 1.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.81 1gay s ALA 42 Cb 0.20 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1gay s ALA 42 CO 0.31 -0.97 0.04 0.95 0.00 0.00 0.00 175.76 176.09 1gay s THR 43 N -0.03 0.16 -0.12 0.00 -4.23 -1.26 -0.90 115.64 109.26 1gay s THR 43 Ca 0.63 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1gay s THR 43 Cb -0.47 -1.04 0.06 0.00 1.34 0.00 0.00 72.50 72.39 1gay s THR 43 CO 0.48 -0.73 0.25 0.21 -0.54 0.00 0.00 174.62 174.29 1gay s ASN 44 N -2.34 0.18 -0.14 3.99 2.47 -0.56 -4.96 114.94 113.57 1gay s ASN 44 Ca -0.02 0.56 -0.17 0.00 0.42 0.00 0.00 52.86 53.65 1gay s ASN 44 Cb 0.01 0.59 -0.04 0.00 -1.45 0.00 0.00 41.25 40.36 1gay s ASN 44 CO -0.06 -0.22 0.44 -0.47 -3.72 0.00 0.00 177.10 173.07 1gay s TYR 45 N 2.06 3.47 -0.66 0.43 6.04 -1.26 -0.76 117.35 126.67 1gay s TYR 45 Ca -0.02 0.79 -0.11 0.00 0.04 0.00 0.00 57.07 57.77 1gay s TYR 45 Cb -0.11 -2.52 0.17 0.00 -1.04 0.00 0.00 41.96 38.45 1gay s TYR 45 CO -0.08 0.14 0.56 -0.80 -1.54 0.00 0.00 175.55 173.83 1gay s ASN 46 N 0.69 6.15 0.50 4.32 0.01 0.05 -4.94 114.94 121.72 1gay s ASN 46 Ca 0.23 -2.36 0.18 0.00 -0.71 0.00 0.00 52.86 50.20 1gay s ASN 46 Cb -0.15 -2.11 1.24 0.00 0.41 0.00 0.00 41.25 40.65 1gay s ASN 46 CO 0.09 -0.62 2.05 0.00 -1.51 0.00 0.00 177.10 177.11 1gay h ALA 47 N 8.03 2.17 0.62 0.60 0.00 -1.96 -0.70 119.26 128.01 1gay h ALA 47 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gay h ALA 47 Cb 1.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1gay h ALA 47 CO 0.83 -0.25 -0.30 0.78 0.00 0.00 0.00 179.25 180.31 1gay h GLY 48 N 0.12 -0.86 -3.03 0.00 0.00 -1.94 -3.21 103.07 94.14 1gay h GLY 48 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1gay h GLY 48 CO -0.02 -0.31 0.00 2.09 0.00 0.00 0.00 176.54 178.30 1gay n ASP 49 N -5.40 4.74 -2.86 0.19 5.75 -1.19 -4.95 116.55 112.83 1gay n ASP 49 Ca -0.13 -2.44 -0.18 0.00 -0.01 0.00 0.00 54.79 52.04 1gay n ASP 49 Cb 0.35 -0.58 -0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1gay n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gay n ARG 50 N 1.12 -2.98 -3.88 0.11 1.74 -0.29 -4.73 116.66 107.75 1gay n ARG 50 Ca 0.26 0.59 -0.22 0.00 -0.77 0.00 0.00 57.85 57.71 1gay n ARG 50 Cb 0.88 -5.27 -0.05 0.00 -1.02 0.00 0.00 32.46 27.01 1gay n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gay s SER 51 N -2.37 4.86 -0.01 0.55 1.04 -1.10 -4.39 113.70 112.28 1gay s SER 51 Ca 0.19 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.86 1gay s SER 51 Cb -0.10 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1gay s SER 51 CO 0.23 -0.47 -0.05 -0.89 0.98 0.00 0.00 173.24 173.04 1gay s THR 52 N -2.45 0.43 -0.10 2.02 2.01 -1.26 -0.77 115.64 115.52 1gay s THR 52 Ca 0.42 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.08 1gay s THR 52 Cb -0.02 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1gay s THR 52 CO 0.25 0.14 0.37 -1.81 -0.69 0.00 0.00 174.62 172.88 1gay s ASP 53 N 0.09 6.62 -0.02 3.53 1.01 0.06 -1.29 116.67 126.67 1gay s ASP 53 Ca -0.01 0.73 0.06 0.00 0.71 0.00 0.00 52.55 54.05 1gay s ASP 53 Cb -0.05 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 1gay s ASP 53 CO -0.00 0.15 -0.21 -0.31 0.21 0.00 0.00 175.17 175.01 1gay s TYR 54 N -0.01 1.93 0.00 4.23 2.02 -0.04 -1.50 117.35 123.98 1gay s TYR 54 Ca 0.21 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1gay s TYR 54 Cb -0.15 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1gay s TYR 54 CO 0.09 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.41 1gay n GLY 55 N 2.66 -1.14 0.31 0.71 0.00 -0.08 -1.41 105.19 106.24 1gay n GLY 55 Ca -0.16 -1.20 0.10 0.00 0.00 0.00 0.00 46.02 44.76 1gay n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gay h ILE 56 N 0.00 0.95 -0.12 -0.61 2.10 -1.68 -1.12 117.51 117.03 1gay h ILE 56 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1gay h ILE 56 Cb 0.00 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 1gay h ILE 56 CO 0.00 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 1gay n PHE 57 N -4.48 0.13 -3.77 2.19 0.99 -1.26 -3.89 117.46 107.37 1gay n PHE 57 Ca 0.03 -0.09 -0.30 0.00 -0.00 0.00 0.00 57.45 57.09 1gay n PHE 57 Cb 0.24 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.74 1gay n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gay n GLN 58 N 0.97 -2.05 -2.73 -1.08 1.13 -0.42 -4.92 117.38 108.28 1gay n GLN 58 Ca 0.11 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.20 1gay n GLN 58 Cb 0.44 -4.27 -0.03 0.00 0.11 0.00 0.00 30.24 26.49 1gay n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gay s ILE 59 N -3.62 4.87 0.05 5.09 1.01 -0.50 -4.34 121.20 123.76 1gay s ILE 59 Ca 0.31 2.02 -0.30 0.00 0.00 0.00 0.00 60.65 62.68 1gay s ILE 59 Cb -0.11 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1gay s ILE 59 CO 0.87 0.15 0.99 0.21 0.00 0.00 0.00 174.94 177.15 1gay s ASN 60 N 1.01 7.40 0.59 3.58 3.84 -1.26 -0.86 114.94 129.24 1gay s ASN 60 Ca 0.51 1.74 0.35 0.00 0.21 0.00 0.00 52.86 55.67 1gay s ASN 60 Cb -0.20 -2.58 1.82 0.00 -0.55 0.00 0.00 41.25 39.73 1gay s ASN 60 CO 0.26 -0.20 2.17 0.77 -2.79 0.00 0.00 177.10 177.32 1gay h SER 61 N 6.29 0.00 -0.12 -4.21 4.64 -1.43 -1.80 113.55 116.92 1gay h SER 61 Ca -0.42 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1gay h SER 61 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1gay h SER 61 CO 0.74 0.04 -0.05 -0.09 -0.87 0.00 0.00 176.83 176.60 1gay h ARG 62 N 0.00 0.39 0.00 4.77 2.43 -1.84 -3.38 114.38 116.75 1gay h ARG 62 Ca -0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1gay h ARG 62 Cb 0.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1gay h ARG 62 CO 0.01 0.46 -0.90 0.66 -1.51 0.00 0.00 179.97 178.69 1gay n TYR 63 N -4.28 0.00 -0.09 2.20 4.01 -1.15 -0.73 117.16 117.12 1gay n TYR 63 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1gay n TYR 63 Cb 0.25 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.16 1gay n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gay n TRP 64 N -1.76 0.00 -4.14 -0.72 7.02 -0.69 -1.27 117.44 115.87 1gay n TRP 64 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1gay n TRP 64 Cb 0.38 -0.81 -0.10 0.00 -2.42 0.00 0.00 31.31 28.35 1gay n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gay s ASN 66 N -3.02 5.32 0.00 0.00 2.47 -0.35 -4.55 114.94 114.81 1gay s ASN 66 Ca 0.18 -0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.35 1gay s ASN 66 Cb 0.07 -1.95 0.01 0.00 -1.45 0.00 0.00 41.25 37.94 1gay s ASN 66 CO -0.02 0.03 0.77 -0.90 -3.72 0.00 0.00 177.10 173.26 1gay n ASP 67 N 4.52 1.57 0.00 -4.21 5.68 -1.26 -1.31 116.55 121.54 1gay n ASP 67 Ca -0.16 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1gay n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1gay n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gay n GLY 68 N -0.21 0.37 0.06 6.12 0.00 -1.26 -4.74 105.19 105.54 1gay n GLY 68 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1gay n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gay n LYS 69 N -2.00 2.22 -3.51 1.61 2.85 -1.26 -4.95 118.16 113.11 1gay n LYS 69 Ca 0.00 -1.36 -0.41 0.00 -1.05 0.00 0.00 58.31 55.49 1gay n LYS 69 Cb 0.00 -1.03 -0.10 0.00 -0.65 0.00 0.00 35.03 33.25 1gay n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gay s THR 70 N -0.82 5.28 -0.03 0.58 2.01 -1.26 -4.92 115.64 116.48 1gay s THR 70 Ca 0.02 -0.30 -0.34 0.00 0.31 0.00 0.00 61.69 61.38 1gay s THR 70 Cb 0.01 -3.76 -0.12 0.00 0.01 0.00 0.00 72.50 68.64 1gay s THR 70 CO 0.02 -0.07 1.80 -2.65 -0.69 0.00 0.00 174.62 173.02 1gay n PRO 71 N 5.12 2.15 -1.73 4.92 -0.02 -1.26 -2.61 135.00 141.57 1gay n PRO 71 Ca -0.12 0.79 -0.19 0.00 -2.02 0.00 0.00 63.50 61.96 1gay n PRO 71 Cb 0.49 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 1gay n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gay n GLY 72 N 4.13 1.28 3.84 -1.23 0.00 -1.26 -4.99 105.19 106.97 1gay n GLY 72 Ca 0.21 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1gay n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gay s ALA 73 N -2.75 2.78 0.47 4.61 0.00 -1.07 -5.06 121.76 120.75 1gay s ALA 73 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1gay s ALA 73 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1gay s ALA 73 CO 0.00 -1.11 0.04 0.14 0.00 0.00 0.00 175.76 174.84 1gay s VAL 74 N -3.12 1.57 -0.43 0.00 -7.23 0.09 -5.01 120.40 106.27 1gay s VAL 74 Ca 0.57 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.87 1gay s VAL 74 Cb -0.13 -2.52 0.23 0.00 0.56 0.00 0.00 36.38 34.52 1gay s VAL 74 CO 0.54 0.00 0.51 -3.20 -0.31 0.00 0.00 175.10 172.64 1gay n ASN 75 N -1.19 0.56 0.29 4.85 5.15 -1.24 -3.92 115.26 119.76 1gay n ASN 75 Ca -0.12 -2.73 0.18 0.00 -0.60 0.00 0.00 54.58 51.31 1gay n ASN 75 Cb 0.67 -0.63 0.87 0.00 -0.53 0.00 0.00 39.78 40.16 1gay n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gay h ALA 76 N 4.38 1.07 -0.00 5.20 0.00 -1.20 -1.12 119.26 127.58 1gay h ALA 76 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1gay h ALA 76 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1gay h ALA 76 CO 0.50 0.04 -0.48 0.00 0.00 0.00 0.00 179.25 179.31 1gay n HIS 78 N -1.27 -1.84 -3.91 0.00 -0.00 -0.42 -4.95 115.22 102.83 1gay n HIS 78 Ca 0.07 0.64 -0.10 0.00 -0.00 0.00 0.00 57.72 58.33 1gay n HIS 78 Cb 0.34 -3.76 -0.10 0.00 -0.00 0.00 0.00 29.99 26.46 1gay n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gay s LEU 79 N -6.64 1.80 0.39 2.41 1.43 -1.26 -5.08 118.68 111.73 1gay s LEU 79 Ca 0.22 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 52.75 1gay s LEU 79 Cb -0.08 0.48 -0.09 0.00 0.03 0.00 0.00 46.19 46.53 1gay s LEU 79 CO 0.86 -0.35 1.07 -0.55 0.23 0.00 0.00 176.35 177.60 1gay s SER 80 N -1.44 6.77 0.61 2.29 0.15 -1.26 -1.21 113.70 119.61 1gay s SER 80 Ca -0.15 2.10 0.38 0.00 0.70 0.00 0.00 55.95 58.98 1gay s SER 80 Cb -0.08 -2.59 2.02 0.00 -1.71 0.00 0.00 66.02 63.66 1gay s SER 80 CO 0.01 -0.49 2.26 0.00 1.20 0.00 0.00 173.24 176.21 1gay h SER 82 N 0.00 0.53 0.06 0.00 0.87 -1.90 0.07 113.55 113.18 1gay h SER 82 Ca -0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1gay h SER 82 Cb 0.12 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1gay h SER 82 CO 0.00 0.33 -0.01 0.00 -0.53 0.00 0.00 176.83 176.63 1gay h ALA 83 N 1.65 1.23 -0.25 6.23 0.00 -1.58 -1.09 119.26 125.45 1gay h ALA 83 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1gay h ALA 83 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1gay h ALA 83 CO -0.10 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1gay n LEU 84 N -3.43 1.62 -0.03 0.00 4.77 0.01 -3.75 117.00 116.18 1gay n LEU 84 Ca -0.03 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1gay n LEU 84 Cb 0.09 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1gay n LEU 84 CO 0.24 0.38 0.51 0.18 -1.33 0.00 0.00 177.39 177.37 1gay n LEU 85 N 0.34 2.05 -4.86 2.23 4.77 -0.41 -3.29 117.00 117.83 1gay n LEU 85 Ca 0.13 -2.01 -0.31 0.00 -0.03 0.00 0.00 56.01 53.78 1gay n LEU 85 Cb 0.28 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1gay n LEU 85 CO 0.10 0.51 0.72 -1.10 -1.33 0.00 0.00 177.39 176.28 1gay s GLN 86 N -1.02 3.49 0.18 3.23 -0.21 -1.25 -4.58 119.66 119.50 1gay s GLN 86 Ca 0.02 0.81 -0.06 0.00 0.02 0.00 0.00 55.36 56.15 1gay s GLN 86 Cb 0.01 -2.07 0.07 0.00 1.00 0.00 0.00 33.01 32.03 1gay s GLN 86 CO 0.01 -0.66 1.51 -0.44 -2.12 0.00 0.00 175.29 173.59 1gay h ASP 87 N -0.31 0.76 -3.18 5.90 5.19 -1.94 -3.40 116.42 119.44 1gay h ASP 87 Ca -0.44 -0.37 -0.59 0.00 -0.62 0.00 0.00 57.03 55.01 1gay h ASP 87 Cb 1.19 -0.22 -0.07 0.00 0.18 0.00 0.00 39.33 40.42 1gay h ASP 87 CO 0.61 1.11 0.68 0.21 -3.12 0.00 0.00 179.24 178.72 1gay s ASN 88 N -6.89 6.98 -0.05 6.45 3.84 -1.26 -4.94 114.94 119.07 1gay s ASN 88 Ca -0.09 1.20 0.11 0.00 0.21 0.00 0.00 52.86 54.29 1gay s ASN 88 Cb 0.11 -2.50 0.39 0.00 -0.55 0.00 0.00 41.25 38.71 1gay s ASN 88 CO 0.85 -0.64 1.26 2.30 -2.79 0.00 0.00 177.10 178.09 1gay n ILE 89 N 5.36 0.89 -0.01 -5.21 -5.35 -1.26 -4.45 119.36 109.33 1gay n ILE 89 Ca 0.09 -0.62 -0.09 0.00 -0.27 0.00 0.00 62.75 61.86 1gay n ILE 89 Cb 0.47 0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 1gay n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gay h ALA 90 N 3.51 -0.09 -0.90 -1.28 0.00 -1.94 0.32 119.26 118.88 1gay h ALA 90 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1gay h ALA 90 Cb 0.82 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1gay h ALA 90 CO 0.10 -0.62 0.49 -0.44 0.00 0.00 0.00 179.25 178.78 1gay h ASP 91 N -0.21 1.13 -0.79 0.00 3.45 -1.86 -0.84 116.42 117.31 1gay h ASP 91 Ca 0.10 -0.10 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 1gay h ASP 91 Cb 0.35 -0.29 -0.04 0.00 -0.56 0.00 0.00 39.33 38.80 1gay h ASP 91 CO -0.26 0.91 0.37 0.00 -1.57 0.00 0.00 179.24 178.68 1gay h ALA 92 N 1.27 1.15 -0.43 3.45 0.00 -1.60 -1.91 119.26 121.18 1gay h ALA 92 Ca 0.32 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1gay h ALA 92 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1gay h ALA 92 CO -0.05 0.64 -0.13 0.28 0.00 0.00 0.00 179.25 179.99 1gay h VAL 93 N 1.13 1.27 -0.84 0.00 2.07 -0.34 -0.13 116.25 119.42 1gay h VAL 93 Ca 0.27 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.59 1gay h VAL 93 Cb 0.14 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 1gay h VAL 93 CO -0.03 0.43 0.53 0.00 0.02 0.00 0.00 177.57 178.51 1gay h ALA 94 N 0.85 1.13 -0.32 1.67 0.00 -0.78 -0.75 119.26 121.06 1gay h ALA 94 Ca 0.11 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1gay h ALA 94 Cb 0.68 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1gay h ALA 94 CO 0.05 0.31 -0.50 0.00 0.00 0.00 0.00 179.25 179.11 1gay h ALA 96 N 0.71 1.61 -0.36 0.00 0.00 -0.57 0.20 119.26 120.85 1gay h ALA 96 Ca 0.03 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1gay h ALA 96 Cb 1.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1gay h ALA 96 CO 0.11 0.29 -0.41 0.87 0.00 0.00 0.00 179.25 180.11 1gay h LYS 97 N 0.15 0.91 -0.81 0.00 1.57 -0.90 -2.32 116.57 115.17 1gay h LYS 97 Ca 0.03 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1gay h LYS 97 Cb 0.32 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1gay h LYS 97 CO 0.02 1.15 0.44 -0.09 -0.57 0.00 0.00 179.45 180.40 1gay h ARG 98 N 0.72 1.13 -0.01 3.15 9.65 -0.24 -2.37 114.38 126.42 1gay h ARG 98 Ca 0.05 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1gay h ARG 98 Cb 1.01 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1gay h ARG 98 CO 0.10 0.84 0.00 0.28 2.80 0.00 0.00 179.97 183.99 1gay h VAL 99 N 1.13 1.06 0.00 0.20 2.07 -0.89 -2.37 116.25 117.45 1gay h VAL 99 Ca 0.29 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1gay h VAL 99 Cb 0.03 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1gay h VAL 99 CO -0.05 0.05 0.00 1.33 0.02 0.00 0.00 177.57 178.92 1gay n VAL 100 N -5.05 0.46 0.99 2.57 0.24 -0.88 -1.25 118.33 115.41 1gay n VAL 100 Ca -0.07 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1gay n VAL 100 Cb 0.06 -0.84 0.48 0.00 -1.47 0.00 0.00 33.84 32.07 1gay n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gay n ARG 101 N -1.26 0.01 -1.86 7.34 1.74 -0.89 -4.05 116.66 117.69 1gay n ARG 101 Ca 0.08 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.88 1gay n ARG 101 Cb 0.13 -1.51 0.08 0.00 -1.02 0.00 0.00 32.46 30.14 1gay n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gay s ASP 102 N -3.03 4.71 0.52 0.55 -0.00 -0.38 -4.94 116.67 114.09 1gay s ASP 102 Ca 0.13 0.91 0.40 0.00 -0.00 0.00 0.00 52.55 53.99 1gay s ASP 102 Cb 0.18 -1.50 1.58 0.00 -0.00 0.00 0.00 42.92 43.19 1gay s ASP 102 CO 0.59 -1.79 1.68 1.55 -0.00 0.00 0.00 175.17 177.20 1gay h PRO 103 N -0.97 0.04 0.00 8.23 0.13 -1.88 -2.44 132.00 135.10 1gay h PRO 103 Ca -0.46 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1gay h PRO 103 Cb 1.31 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1gay h PRO 103 CO 0.65 0.02 -1.06 1.04 -0.23 0.00 0.00 178.00 178.42 1gay n GLN 104 N -4.20 0.61 0.00 0.86 6.02 -1.26 -5.06 117.38 114.35 1gay n GLN 104 Ca 0.35 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 1gay n GLN 104 Cb 1.57 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 31.01 1gay n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gay n GLY 105 N 1.20 1.91 0.29 1.08 0.00 -0.92 -2.68 105.19 106.06 1gay n GLY 105 Ca -0.01 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.57 1gay n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gay h ILE 106 N 0.00 0.52 0.00 -0.61 6.09 -1.93 -1.59 117.51 119.99 1gay h ILE 106 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1gay h ILE 106 Cb 0.00 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.42 1gay h ILE 106 CO 0.00 0.04 0.00 0.54 -3.07 0.00 0.00 178.15 175.66 1gay n ARG 107 N -3.74 0.02 -0.30 2.19 1.74 -1.09 -3.12 116.66 112.36 1gay n ARG 107 Ca -0.03 0.33 0.16 0.00 -0.77 0.00 0.00 57.85 57.55 1gay n ARG 107 Cb 0.14 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.50 1gay n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gay h ALA 108 N 2.32 1.97 -2.56 7.54 0.00 -1.45 -3.39 119.26 123.69 1gay h ALA 108 Ca 0.00 0.04 -0.61 0.00 0.00 0.00 0.00 54.91 54.35 1gay h ALA 108 Cb 0.14 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 1gay h ALA 108 CO 0.00 -0.30 0.06 -1.58 0.00 0.00 0.00 179.25 177.44 1gay s TRP 109 N -5.62 3.30 0.33 0.00 0.51 -1.18 -4.97 118.94 111.31 1gay s TRP 109 Ca -0.10 0.76 0.01 0.00 -2.12 0.00 0.00 56.10 54.66 1gay s TRP 109 Cb 0.24 -2.77 0.58 0.00 -0.81 0.00 0.00 33.47 30.71 1gay s TRP 109 CO 0.79 -0.25 1.98 0.28 -0.51 0.00 0.00 176.95 179.24 1gay h VAL 110 N 5.33 1.15 -0.85 4.03 2.07 -1.91 -1.59 116.25 124.48 1gay h VAL 110 Ca -0.29 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1gay h VAL 110 Cb 1.14 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1gay h VAL 110 CO 0.75 0.17 0.56 0.00 0.02 0.00 0.00 177.57 179.07 1gay h ALA 111 N 1.56 1.51 -0.35 1.67 0.00 -1.94 -0.96 119.26 120.75 1gay h ALA 111 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1gay h ALA 111 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1gay h ALA 111 CO -0.07 0.38 0.19 2.35 0.00 0.00 0.00 179.25 182.10 1gay h TRP 112 N 1.01 0.49 -0.86 0.00 7.01 -1.62 0.95 115.95 122.94 1gay h TRP 112 Ca 0.35 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.36 1gay h TRP 112 Cb 0.11 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 1gay h TRP 112 CO -0.00 0.39 0.57 0.00 -2.79 0.00 0.00 178.44 176.61 1gay h ARG 113 N 0.44 1.07 -0.02 2.65 3.08 -1.13 0.22 114.38 120.70 1gay h ARG 113 Ca 0.12 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1gay h ARG 113 Cb 0.07 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1gay h ARG 113 CO -0.02 0.71 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.53 1gay h ASN 114 N 1.10 0.17 -0.01 7.04 2.35 -0.83 -3.35 115.58 122.06 1gay h ASN 114 Ca 0.33 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1gay h ASN 114 Cb -0.03 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1gay h ASN 114 CO -0.09 0.83 -0.29 0.54 -1.65 0.00 0.00 177.43 176.77 1gay n ARG 115 N -4.61 1.84 0.00 0.81 5.12 0.29 -4.80 116.66 115.32 1gay n ARG 115 Ca -0.09 -0.72 0.00 0.00 -1.93 0.00 0.00 57.85 55.11 1gay n ARG 115 Cb 0.42 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 1gay n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gay s GLN 117 N -1.62 4.18 -1.88 0.00 0.74 0.28 -2.38 119.66 118.98 1gay s GLN 117 Ca 0.00 2.46 0.00 0.00 0.05 0.00 0.00 55.36 57.87 1gay s GLN 117 Cb 0.00 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1gay s GLN 117 CO 0.00 -0.53 0.00 0.09 -0.55 0.00 0.00 175.29 174.30 1gay n ASN 118 N 2.00 -5.40 -4.59 6.67 5.03 -1.26 -4.92 115.26 112.79 1gay n ASN 118 Ca 0.07 0.44 -0.27 0.00 0.87 0.00 0.00 54.58 55.69 1gay n ASN 118 Cb 0.39 -4.47 -0.10 0.00 -1.02 0.00 0.00 39.78 34.58 1gay n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gay s ARG 119 N -3.49 1.91 -0.51 3.52 0.52 -1.00 -5.09 118.95 114.81 1gay s ARG 119 Ca 0.00 -1.99 -0.26 0.00 -0.52 0.00 0.00 55.73 52.97 1gay s ARG 119 Cb 0.00 -1.71 0.03 0.00 0.52 0.00 0.00 34.95 33.79 1gay s ARG 119 CO 0.00 0.05 0.99 0.34 0.02 0.00 0.00 175.30 176.70 1gay s ASP 120 N -3.67 6.45 0.00 0.23 -1.08 -1.26 -4.90 116.67 112.44 1gay s ASP 120 Ca 0.34 -0.00 0.17 0.00 -0.52 0.00 0.00 52.55 52.54 1gay s ASP 120 Cb 0.05 -2.47 0.37 0.00 -1.46 0.00 0.00 42.92 39.41 1gay s ASP 120 CO 0.18 -1.19 1.29 1.33 0.52 0.00 0.00 175.17 177.29 1gay n VAL 121 N 6.43 0.65 -0.28 1.11 0.24 -1.26 -4.63 118.33 120.58 1gay n VAL 121 Ca 0.06 -0.82 0.15 0.00 -2.04 0.00 0.00 64.34 61.68 1gay n VAL 121 Cb 0.48 0.81 0.42 0.00 -1.47 0.00 0.00 33.84 34.08 1gay n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gay h ARG 122 N 3.32 0.57 -0.93 7.34 3.08 -1.92 -2.35 114.38 123.49 1gay h ARG 122 Ca 0.00 -0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.26 1gay h ARG 122 Cb 0.82 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 1gay h ARG 122 CO 0.00 0.38 0.64 -0.56 -1.07 0.00 0.00 179.97 179.36 1gay h GLN 123 N 0.59 0.23 0.00 0.04 3.07 -1.98 -2.34 115.11 114.72 1gay h GLN 123 Ca 0.49 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 59.17 1gay h GLN 123 Cb 0.95 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.46 1gay h GLN 123 CO -0.23 0.15 -0.22 1.88 0.09 0.00 0.00 178.83 180.49 1gay h TYR 124 N 0.23 0.00 -0.10 0.06 0.05 -1.76 -3.14 116.97 112.31 1gay h TYR 124 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 1gay h TYR 124 Cb 1.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.22 1gay h TYR 124 CO -0.00 0.22 0.00 1.33 -1.05 0.00 0.00 178.16 178.66 1gay n VAL 125 N -3.55 0.48 -1.91 -2.88 0.24 -0.90 -4.78 118.33 105.03 1gay n VAL 125 Ca -0.01 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.34 61.13 1gay n VAL 125 Cb 0.37 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.55 1gay n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gay s GLN 126 N -0.76 4.15 -0.12 7.34 -1.52 -1.08 -2.41 119.66 125.27 1gay s GLN 126 Ca 0.10 2.30 0.00 0.00 -1.95 0.00 0.00 55.36 55.82 1gay s GLN 126 Cb 0.06 -4.04 0.00 0.00 -0.22 0.00 0.00 33.01 28.81 1gay s GLN 126 CO 0.09 -0.90 0.00 0.41 -0.25 0.00 0.00 175.29 174.64 1gay n GLY 127 N 4.28 0.49 0.18 3.09 0.00 -1.26 -4.92 105.19 107.05 1gay n GLY 127 Ca 0.18 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1gay n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gay n GLY 129 N 1.37 0.20 0.57 0.00 0.00 -1.26 -4.78 105.19 101.29 1gay n GLY 129 Ca 0.11 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.64 1gay n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65