#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryu n SER 2 N 0.00 0.00 -0.94 -3.46 2.88 -1.26 -4.95 113.62 105.89 1ryu n SER 2 Ca 0.00 0.61 0.05 0.00 -1.33 0.00 0.00 58.87 58.20 1ryu n SER 2 Cb 0.00 -0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.34 1ryu n SER 2 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ryu n THR 3 N -0.98 0.00 -4.37 2.46 -2.24 -1.26 -4.63 114.28 103.26 1ryu n THR 3 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1ryu n THR 3 Cb 0.00 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.00 1ryu n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ryu s THR 4 N -0.60 3.21 0.68 4.28 -4.23 -1.26 -4.36 115.64 113.36 1ryu s THR 4 Ca 0.00 -1.21 -0.17 0.00 -1.18 0.00 0.00 61.69 59.13 1ryu s THR 4 Cb 0.00 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.40 1ryu s THR 4 CO 0.00 0.20 1.24 0.41 -0.54 0.00 0.00 174.62 175.94 1ryu n THR 5 N 1.04 4.22 0.71 3.99 -1.04 -1.22 -4.83 114.28 117.15 1ryu n THR 5 Ca -0.15 -0.43 0.04 0.00 -2.04 0.00 0.00 64.05 61.47 1ryu n THR 5 Cb 0.52 -1.40 0.22 0.00 -1.82 0.00 0.00 70.33 67.86 1ryu n THR 5 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ryu n ASN 6 N -2.11 0.00 -4.48 8.00 4.13 -1.26 -4.55 115.26 114.99 1ryu n ASN 6 Ca 0.15 -0.48 -0.43 0.00 1.68 0.00 0.00 54.58 55.50 1ryu n ASN 6 Cb 0.49 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.66 1ryu n ASN 6 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ryu s GLU 7 N -2.00 3.17 -0.07 3.52 8.01 -1.26 -4.92 118.70 125.14 1ryu s GLU 7 Ca 0.11 -0.70 -0.27 0.00 0.01 0.00 0.00 54.97 54.12 1ryu s GLU 7 Cb 0.05 -4.03 -0.23 0.00 -4.31 0.00 0.00 34.13 25.62 1ryu s GLU 7 CO 0.09 -1.08 1.06 -0.22 0.01 0.00 0.00 175.26 175.11 1ryu h LYS 8 N 8.91 0.02 0.00 1.61 1.63 -1.91 -3.43 116.57 123.40 1ryu h LYS 8 Ca -0.27 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1ryu h LYS 8 Cb 1.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1ryu h LYS 8 CO 0.91 0.73 0.00 0.44 -3.45 0.00 0.00 179.45 178.07 1ryu n ILE 9 N -4.72 0.00 0.00 2.00 -0.00 -1.26 -4.67 119.36 110.71 1ryu n ILE 9 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1ryu n ILE 9 Cb 0.36 -1.99 0.00 0.00 -0.00 0.00 0.00 39.64 38.02 1ryu n ILE 9 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1ryu n THR 10 N -1.16 0.00 0.22 7.28 5.66 -1.26 -4.71 114.28 120.30 1ryu n THR 10 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1ryu n THR 10 Cb 0.00 0.00 0.72 0.00 -1.55 0.00 0.00 70.33 69.50 1ryu n THR 10 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1ryu h LYS 11 N 0.00 0.00 -0.33 1.09 3.11 -1.88 -2.65 116.57 115.92 1ryu h LYS 11 Ca 0.00 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1ryu h LYS 11 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1ryu h LYS 11 CO 0.00 0.00 0.21 1.25 -2.81 0.00 0.00 179.45 178.10 1ryu h LEU 12 N 0.00 0.35 -0.22 5.20 7.12 -1.98 -2.27 115.31 123.51 1ryu h LEU 12 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1ryu h LEU 12 Cb 0.13 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1ryu h LEU 12 CO 0.00 0.26 0.00 0.00 -0.13 0.00 0.00 178.44 178.57 1ryu n TYR 13 N -4.87 0.00 -3.15 1.25 0.18 -1.00 -4.21 117.16 105.36 1ryu n TYR 13 Ca -0.01 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.81 1ryu n TYR 13 Cb 0.03 -0.01 -0.00 0.00 -0.38 0.00 0.00 39.34 38.98 1ryu n TYR 13 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1ryu s GLU 14 N -1.78 0.51 -0.05 -3.48 -1.05 -0.85 -5.01 118.70 106.99 1ryu s GLU 14 Ca 0.00 0.41 0.15 0.00 -0.15 0.00 0.00 54.97 55.38 1ryu s GLU 14 Cb 0.00 0.21 -0.22 0.00 -0.44 0.00 0.00 34.13 33.67 1ryu s GLU 14 CO 0.00 -0.93 0.27 -0.11 0.95 0.00 0.00 175.26 175.44 1ryu n LEU 15 N 5.26 0.00 -3.79 1.83 7.94 -1.26 -4.85 117.00 122.13 1ryu n LEU 15 Ca 0.06 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.83 1ryu n LEU 15 Cb 0.55 0.08 -0.14 0.00 0.53 0.00 0.00 43.42 44.44 1ryu n LEU 15 CO -0.07 0.08 -0.24 -0.83 -1.11 0.00 0.00 177.39 175.22 1ryu s GLY 16 N -3.98 -0.05 0.00 -3.96 0.00 -1.26 -4.87 107.32 93.20 1ryu s GLY 16 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1ryu s GLY 16 CO 0.62 0.59 0.00 0.61 0.00 0.00 0.00 173.10 174.92 1ryu n GLY 17 N 3.56 2.21 2.41 0.20 0.00 -1.26 -4.95 105.19 107.35 1ryu n GLY 17 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1ryu n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ryu n GLU 18 N -0.19 2.20 0.16 1.61 -0.58 -1.26 -4.89 120.64 117.69 1ryu n GLU 18 Ca 0.00 -4.38 0.03 0.00 -0.42 0.00 0.00 57.16 52.38 1ryu n GLU 18 Cb 0.00 -2.04 0.25 0.00 -0.57 0.00 0.00 31.44 29.08 1ryu n GLU 18 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1ryu h PRO 19 N 4.02 0.00 -0.01 3.49 0.13 -1.93 -0.63 132.00 137.08 1ryu h PRO 19 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1ryu h PRO 19 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1ryu h PRO 19 CO 0.76 0.49 -0.08 0.93 -0.23 0.00 0.00 178.00 179.87 1ryu h GLU 20 N 0.00 0.07 -0.09 0.86 4.39 -2.00 -2.78 114.58 115.04 1ryu h GLU 20 Ca -0.00 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.44 1ryu h GLU 20 Cb 1.00 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1ryu h GLU 20 CO 0.06 0.75 -0.73 0.00 -1.16 0.00 0.00 179.01 177.94 1ryu h ARG 21 N -0.59 0.46 0.00 2.33 -0.00 -1.96 -2.33 114.38 112.30 1ryu h ARG 21 Ca -0.01 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.98 59.05 1ryu h ARG 21 Cb 0.77 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.81 1ryu h ARG 21 CO 0.02 1.01 -0.24 1.57 0.00 0.00 0.00 179.97 182.32 1ryu h LYS 22 N 0.32 0.00 0.06 0.04 2.10 -1.21 0.12 116.57 118.00 1ryu h LYS 22 Ca -0.03 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1ryu h LYS 22 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1ryu h LYS 22 CO 0.13 0.24 -0.03 1.98 -2.00 0.00 0.00 179.45 179.77 1ryu h MET 23 N 0.00 -0.08 -0.64 0.07 4.05 -1.35 -1.26 114.93 115.72 1ryu h MET 23 Ca -0.00 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1ryu h MET 23 Cb 0.52 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 1ryu h MET 23 CO 0.03 0.52 0.37 -1.49 0.23 0.00 0.00 176.91 176.57 1ryu h TRP 24 N -0.88 0.85 -0.11 1.39 6.55 -1.30 0.12 115.95 122.56 1ryu h TRP 24 Ca -0.01 -0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.68 1ryu h TRP 24 Cb 0.63 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 1ryu h TRP 24 CO 0.15 0.57 -0.59 -0.24 -1.05 0.00 0.00 178.44 177.29 1ryu h VAL 25 N 0.89 1.36 -0.06 1.49 3.04 -0.83 -0.93 116.25 121.20 1ryu h VAL 25 Ca 0.23 -1.91 -0.14 0.00 -1.01 0.00 0.00 66.70 63.87 1ryu h VAL 25 Cb -0.01 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1ryu h VAL 25 CO -0.04 0.57 -0.59 -0.78 -1.01 0.00 0.00 177.57 175.72 1ryu h ASP 26 N 0.27 0.23 -0.10 3.17 3.58 -0.32 -2.71 116.42 120.54 1ryu h ASP 26 Ca -0.00 -0.13 -0.19 0.00 0.42 0.00 0.00 57.03 57.13 1ryu h ASP 26 Cb 1.11 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1ryu h ASP 26 CO 0.10 0.77 -0.64 0.03 -2.88 0.00 0.00 179.24 176.62 1ryu h ARG 27 N 0.15 0.72 -0.70 0.28 3.08 -0.58 -1.36 114.38 115.97 1ryu h ARG 27 Ca -0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1ryu h ARG 27 Cb 1.08 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1ryu h ARG 27 CO 0.09 1.12 0.45 -0.92 -1.07 0.00 0.00 179.97 179.64 1ryu h TYR 28 N 0.53 0.89 -0.09 3.04 3.20 -1.04 0.37 116.97 123.87 1ryu h TYR 28 Ca -0.01 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1ryu h TYR 28 Cb 1.23 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 39.21 1ryu h TYR 28 CO 0.07 0.58 -0.85 -0.07 -1.64 0.00 0.00 178.16 176.25 1ryu h LEU 29 N 0.95 0.83 -1.05 2.82 -0.00 -1.36 -2.13 115.31 115.39 1ryu h LEU 29 Ca 0.25 -0.58 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1ryu h LEU 29 Cb -0.08 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.33 1ryu h LEU 29 CO -0.05 1.37 0.00 0.00 -0.00 0.00 0.00 178.44 179.76 1ryu h ALA 30 N 0.60 1.00 0.23 1.53 0.00 -0.50 -2.18 119.26 119.94 1ryu h ALA 30 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 1ryu h ALA 30 Cb 1.47 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.29 1ryu h ALA 30 CO 0.17 0.00 -1.52 0.35 0.00 0.00 0.00 179.25 178.24 1ryu h PHE 31 N 0.00 0.88 -0.28 0.00 3.57 0.05 -2.15 116.94 119.01 1ryu h PHE 31 Ca 0.00 -0.64 -0.12 0.00 3.53 0.00 0.00 57.97 60.73 1ryu h PHE 31 Cb 0.41 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1ryu h PHE 31 CO 0.00 1.56 -0.34 1.79 -2.23 0.00 0.00 178.31 179.10 1ryu h THR 32 N 0.13 1.29 0.00 4.41 1.35 -0.98 -2.77 112.91 116.34 1ryu h THR 32 Ca -0.27 -1.47 -0.11 0.00 -0.55 0.00 0.00 66.41 64.02 1ryu h THR 32 Cb 2.14 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.98 1ryu h THR 32 CO 0.25 0.47 -0.50 -0.33 -0.25 0.00 0.00 175.52 175.16 1ryu h GLU 33 N 0.52 0.00 -0.18 4.72 5.08 -1.50 -0.90 114.58 122.32 1ryu h GLU 33 Ca 0.06 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1ryu h GLU 33 Cb 0.83 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1ryu h GLU 33 CO 0.07 0.50 -0.01 1.49 -1.00 0.00 0.00 179.01 180.07 1ryu h GLU 34 N 0.00 0.05 -0.49 2.33 4.57 -1.08 -1.78 114.58 118.18 1ryu h GLU 34 Ca -0.01 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ryu h GLU 34 Cb 1.23 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1ryu h GLU 34 CO 0.07 0.03 0.00 1.63 -1.18 0.00 0.00 179.01 179.56 1ryu n LYS 35 N -5.14 2.15 -1.96 1.92 4.01 -1.21 -4.90 118.16 113.03 1ryu n LYS 35 Ca -0.03 -1.76 -0.16 0.00 -0.51 0.00 0.00 58.31 55.85 1ryu n LYS 35 Cb 0.10 -1.39 -0.04 0.00 -0.51 0.00 0.00 35.03 33.20 1ryu n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ryu n ALA 36 N 0.92 -0.48 0.26 7.82 0.00 -0.67 -4.81 120.51 123.55 1ryu n ALA 36 Ca 0.16 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.93 1ryu n ALA 36 Cb 0.42 -1.76 0.79 0.00 0.00 0.00 0.00 19.45 18.90 1ryu n ALA 36 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1ryu h MET 37 N 0.00 0.00 0.00 0.00 -1.53 -1.43 -3.42 114.93 108.55 1ryu h MET 37 Ca -0.37 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.89 1ryu h MET 37 Cb 1.19 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.24 1ryu h MET 37 CO 0.48 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.94 1ryu n GLY 38 N -1.43 -0.82 0.00 1.39 0.00 -1.23 -4.99 105.19 98.11 1ryu n GLY 38 Ca -0.02 0.84 0.06 0.00 0.00 0.00 0.00 46.02 46.90 1ryu n GLY 38 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ryu n MET 39 N 0.00 0.20 -3.94 1.61 1.56 -1.26 -4.65 117.12 110.64 1ryu n MET 39 Ca 0.00 0.15 -0.26 0.00 -0.27 0.00 0.00 57.70 57.31 1ryu n MET 39 Cb 0.00 -1.50 -0.01 0.00 2.15 0.00 0.00 33.22 33.86 1ryu n MET 39 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1ryu s THR 40 N -2.49 1.66 0.25 1.12 -1.32 -1.26 -5.03 115.64 108.58 1ryu s THR 40 Ca 0.12 -1.52 -0.30 0.00 -1.21 0.00 0.00 61.69 58.78 1ryu s THR 40 Cb 0.08 -2.18 -0.11 0.00 -1.51 0.00 0.00 72.50 68.78 1ryu s THR 40 CO 0.17 0.00 1.53 0.54 -2.21 0.00 0.00 174.62 174.65 1ryu s ASN 41 N -4.25 6.53 0.08 8.08 2.20 -1.26 -4.87 114.94 121.45 1ryu s ASN 41 Ca 0.33 2.77 0.00 0.00 -0.94 0.00 0.00 52.86 55.02 1ryu s ASN 41 Cb -0.02 -2.62 0.00 0.00 -2.00 0.00 0.00 41.25 36.61 1ryu s ASN 41 CO 0.20 -0.81 0.00 -0.11 -2.94 0.00 0.00 177.10 173.45 1ryu n LEU 42 N 2.59 -0.07 -0.99 3.54 0.00 -1.26 -4.87 117.00 115.94 1ryu n LEU 42 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.23 1ryu n LEU 42 Cb 0.39 0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.94 1ryu n LEU 42 CO 0.62 -0.58 0.47 -0.81 0.00 0.00 0.00 177.39 177.10 1ryu n PRO 43 N -2.77 0.96 -3.78 1.96 -0.04 -1.26 -4.85 135.00 125.21 1ryu n PRO 43 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1ryu n PRO 43 Cb 0.00 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1ryu n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ryu s ALA 44 N 0.03 3.89 0.14 0.55 0.00 -1.26 -4.19 121.76 120.90 1ryu s ALA 44 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1ryu s ALA 44 Cb 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1ryu s ALA 44 CO 0.00 0.74 0.17 1.33 0.00 0.00 0.00 175.76 178.00 1ryu n VAL 45 N 0.20 0.00 0.00 0.00 0.24 -1.06 -4.48 118.33 113.24 1ryu n VAL 45 Ca -0.04 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1ryu n VAL 45 Cb 0.51 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 1ryu n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ryu n GLY 46 N 3.35 -2.94 0.00 7.63 0.00 -1.26 -3.37 105.19 108.60 1ryu n GLY 46 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1ryu n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ryu n ARG 47 N -2.03 0.00 -0.65 1.61 1.74 -1.26 -4.59 116.66 111.47 1ryu n ARG 47 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1ryu n ARG 47 Cb 0.00 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 31.62 1ryu n ARG 47 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ryu n LYS 48 N 0.00 -0.83 0.00 5.56 4.01 -1.26 -4.75 118.16 120.89 1ryu n LYS 48 Ca 0.00 -0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1ryu n LYS 48 Cb 0.00 -2.27 0.00 0.00 -0.51 0.00 0.00 35.03 32.25 1ryu n LYS 48 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1ryu n PRO 49 N -4.08 0.00 0.06 1.97 -0.04 -1.26 -3.34 135.00 128.30 1ryu n PRO 49 Ca 0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1ryu n PRO 49 Cb 0.53 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 1ryu n PRO 49 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ryu h LEU 50 N 0.00 -0.16 0.60 1.53 4.07 -1.85 -2.80 115.31 116.71 1ryu h LEU 50 Ca 0.00 -0.36 -0.40 0.00 0.08 0.00 0.00 57.88 57.20 1ryu h LEU 50 Cb 0.00 0.04 0.08 0.00 1.08 0.00 0.00 40.66 41.86 1ryu h LEU 50 CO 0.00 0.32 -0.61 0.47 -1.08 0.00 0.00 178.44 177.53 1ryu n ASP 51 N -4.95 -6.14 -0.33 -0.43 9.92 -1.26 -4.84 116.55 108.52 1ryu n ASP 51 Ca -0.09 -0.33 0.03 0.00 -0.53 0.00 0.00 54.79 53.88 1ryu n ASP 51 Cb 0.26 -4.91 0.18 0.00 -0.64 0.00 0.00 41.12 36.01 1ryu n ASP 51 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1ryu h LEU 52 N -1.64 0.87 -0.05 0.64 5.85 -1.95 0.27 115.31 119.29 1ryu h LEU 52 Ca -0.53 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 1ryu h LEU 52 Cb 1.36 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1ryu h LEU 52 CO 0.56 0.52 0.02 0.22 -0.34 0.00 0.00 178.44 179.42 1ryu h TYR 53 N 0.98 0.08 0.00 1.25 3.20 -1.95 0.63 116.97 121.17 1ryu h TYR 53 Ca 0.42 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 1ryu h TYR 53 Cb 0.30 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1ryu h TYR 53 CO -0.03 0.19 -0.21 0.00 -1.64 0.00 0.00 178.16 176.47 1ryu h ARG 54 N -0.05 0.00 0.00 1.82 3.08 -1.80 -1.39 114.38 116.04 1ryu h ARG 54 Ca 0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1ryu h ARG 54 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1ryu h ARG 54 CO -0.00 0.21 -0.79 1.25 -1.07 0.00 0.00 179.97 179.56 1ryu h LEU 55 N 0.00 0.00 0.18 3.04 5.85 -0.03 -2.68 115.31 121.66 1ryu h LEU 55 Ca -0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1ryu h LEU 55 Cb 0.52 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.56 1ryu h LEU 55 CO 0.03 0.24 -1.33 0.22 -0.34 0.00 0.00 178.44 177.25 1ryu h TYR 56 N 0.00 0.67 0.00 1.25 3.20 0.97 -1.35 116.97 121.71 1ryu h TYR 56 Ca -0.04 -0.49 -0.11 0.00 3.14 0.00 0.00 58.73 61.23 1ryu h TYR 56 Cb 1.22 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 1ryu h TYR 56 CO 0.00 1.39 -0.52 -0.39 -1.64 0.00 0.00 178.16 176.99 1ryu h VAL 57 N 0.10 0.93 0.22 1.81 -1.51 -1.38 -2.94 116.25 113.49 1ryu h VAL 57 Ca -0.18 -2.22 -0.30 0.00 -1.23 0.00 0.00 66.70 62.78 1ryu h VAL 57 Cb 2.05 2.39 0.03 0.00 -2.13 0.00 0.00 31.29 33.63 1ryu h VAL 57 CO 0.23 0.51 -1.31 0.28 -1.23 0.00 0.00 177.57 176.06 1ryu h SER 58 N 0.00 0.74 -0.07 4.19 0.02 -1.51 -3.03 113.55 113.89 1ryu h SER 58 Ca -0.01 -0.93 -0.06 0.00 -0.84 0.00 0.00 61.79 59.96 1ryu h SER 58 Cb 1.35 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1ryu h SER 58 CO 0.07 1.63 -0.11 1.62 -1.14 0.00 0.00 176.83 178.90 1ryu h VAL 59 N 0.00 1.20 -0.32 2.27 3.04 -1.30 0.13 116.25 121.27 1ryu h VAL 59 Ca -0.23 -0.88 -0.08 0.00 -1.01 0.00 0.00 66.70 64.50 1ryu h VAL 59 Cb 2.03 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 32.45 1ryu h VAL 59 CO 0.24 0.28 -0.12 0.11 -1.01 0.00 0.00 177.57 177.07 1ryu h LYS 60 N 0.35 0.65 0.00 4.17 1.57 -1.59 -2.54 116.57 119.18 1ryu h LYS 60 Ca 0.07 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 1ryu h LYS 60 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1ryu h LYS 60 CO 0.02 0.85 -0.48 0.93 -0.57 0.00 0.00 179.45 180.20 1ryu h GLU 61 N 0.42 0.00 -0.85 3.15 5.08 -1.35 -2.96 114.58 118.07 1ryu h GLU 61 Ca 0.08 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1ryu h GLU 61 Cb 0.64 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1ryu h GLU 61 CO 0.04 0.48 0.56 0.82 -1.00 0.00 0.00 179.01 179.91 1ryu h ILE 62 N 0.00 1.19 0.00 3.13 2.04 -0.51 -3.46 117.51 119.89 1ryu h ILE 62 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1ryu h ILE 62 Cb 0.87 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1ryu h ILE 62 CO 0.06 0.20 0.00 0.61 0.00 0.00 0.00 178.15 179.03 1ryu n GLY 63 N -1.33 0.93 0.00 5.37 0.00 -1.06 -4.97 105.19 104.12 1ryu n GLY 63 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ryu n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ryu n GLY 64 N 0.00 0.57 0.09 -0.02 0.00 -0.98 -4.81 105.19 100.05 1ryu n GLY 64 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1ryu n GLY 64 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ryu n LEU 65 N 0.00 0.82 0.11 0.99 -0.00 -1.26 -3.86 117.00 113.80 1ryu n LEU 65 Ca 0.00 0.36 -0.01 0.00 -0.00 0.00 0.00 56.01 56.36 1ryu n LEU 65 Cb 0.00 0.08 -0.02 0.00 -0.00 0.00 0.00 43.42 43.48 1ryu n LEU 65 CO 0.00 0.14 0.36 0.71 -0.00 0.00 0.00 177.39 178.60 1ryu h THR 66 N 0.00 1.16 -0.32 1.47 1.35 -1.98 -3.26 112.91 111.32 1ryu h THR 66 Ca -0.16 -2.62 -0.14 0.00 -0.55 0.00 0.00 66.41 62.94 1ryu h THR 66 Cb 1.57 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 70.54 1ryu h THR 66 CO 0.04 0.66 -0.36 1.56 -0.25 0.00 0.00 175.52 177.17 1ryu h GLN 67 N 0.00 0.74 -0.36 4.72 1.08 -1.88 -2.55 115.11 116.86 1ryu h GLN 67 Ca -0.01 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1ryu h GLN 67 Cb 1.51 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1ryu h GLN 67 CO 0.09 0.98 0.00 0.28 -0.95 0.00 0.00 178.83 179.22 1ryu n VAL 68 N -4.06 0.00 0.04 -0.54 0.31 -1.23 -0.60 118.33 112.26 1ryu n VAL 68 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1ryu n VAL 68 Cb 0.51 -0.22 -0.01 0.00 -0.91 0.00 0.00 33.84 33.21 1ryu n VAL 68 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ryu n ASN 69 N -0.26 0.40 0.00 4.52 5.15 -0.96 -4.55 115.26 119.56 1ryu n ASN 69 Ca 0.00 -0.48 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 1ryu n ASN 69 Cb 0.09 1.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.34 1ryu n ASN 69 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ryu n LYS 70 N -1.06 0.00 -0.38 1.20 2.85 -1.10 -4.88 118.16 114.80 1ryu n LYS 70 Ca 0.00 -0.11 0.08 0.00 -1.05 0.00 0.00 58.31 57.23 1ryu n LYS 70 Cb 0.02 -0.19 0.23 0.00 -0.65 0.00 0.00 35.03 34.44 1ryu n LYS 70 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1ryu n ASN 71 N 0.00 3.66 -2.72 -5.58 2.85 0.23 -4.95 115.26 108.76 1ryu n ASN 71 Ca 0.00 -2.61 -0.16 0.00 -0.11 0.00 0.00 54.58 51.69 1ryu n ASN 71 Cb 0.39 -0.44 -0.00 0.00 1.24 0.00 0.00 39.78 40.97 1ryu n ASN 71 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ryu n LYS 72 N 0.00 -2.75 0.00 1.20 5.02 -1.26 -4.81 118.16 115.55 1ryu n LYS 72 Ca 0.18 0.62 0.14 0.00 -2.02 0.00 0.00 58.31 57.24 1ryu n LYS 72 Cb 0.74 -5.28 0.69 0.00 -0.02 0.00 0.00 35.03 31.16 1ryu n LYS 72 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ryu n LYS 73 N -3.17 0.28 -0.20 1.97 4.76 -1.26 -3.35 118.16 117.19 1ryu n LYS 73 Ca -0.12 0.01 -0.03 0.00 -2.87 0.00 0.00 58.31 55.30 1ryu n LYS 73 Cb 0.60 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.45 1ryu n LYS 73 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1ryu h TRP 74 N 0.00 0.99 0.00 2.13 6.55 -1.88 -0.45 115.95 123.29 1ryu h TRP 74 Ca 0.00 -0.07 -0.11 0.00 0.95 0.00 0.00 58.89 59.67 1ryu h TRP 74 Cb 0.34 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.33 1ryu h TRP 74 CO 0.00 0.76 -0.51 -0.09 -1.05 0.00 0.00 178.44 177.55 1ryu h ARG 75 N 0.96 0.00 0.57 0.49 2.43 -1.82 -2.74 114.38 114.26 1ryu h ARG 75 Ca 0.22 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1ryu h ARG 75 Cb 0.20 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1ryu h ARG 75 CO -0.02 0.51 -0.27 0.93 -1.51 0.00 0.00 179.97 179.61 1ryu h GLU 76 N 0.00 -0.73 -0.07 0.20 4.39 -1.42 -1.51 114.58 115.44 1ryu h GLU 76 Ca -0.01 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1ryu h GLU 76 Cb 1.32 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1ryu h GLU 76 CO 0.07 -0.46 0.05 1.37 -1.16 0.00 0.00 179.01 178.88 1ryu h LEU 77 N -1.16 0.00 -0.81 1.33 8.10 -1.23 0.74 115.31 122.28 1ryu h LEU 77 Ca -0.08 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.81 1ryu h LEU 77 Cb 0.61 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.82 1ryu h LEU 77 CO 0.13 0.00 -0.17 0.00 -4.11 0.00 0.00 178.44 174.29 1ryu h ALA 78 N 1.96 0.99 0.00 0.17 0.00 -1.41 -2.03 119.26 118.94 1ryu h ALA 78 Ca 0.03 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 1ryu h ALA 78 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1ryu h ALA 78 CO -0.00 0.60 -0.92 1.15 0.00 0.00 0.00 179.25 180.08 1ryu h THR 79 N 0.63 1.65 -0.10 0.00 2.02 0.10 -2.28 112.91 114.94 1ryu h THR 79 Ca 0.10 -3.13 -0.11 0.00 0.77 0.00 0.00 66.41 64.03 1ryu h THR 79 Cb 0.64 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1ryu h THR 79 CO 0.05 0.90 -0.44 0.78 0.37 0.00 0.00 175.52 177.17 1ryu h ASN 80 N 0.00 0.24 -0.34 4.18 -0.26 -0.69 -2.87 115.58 115.84 1ryu h ASN 80 Ca -0.01 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 1ryu h ASN 80 Cb 1.62 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 1ryu h ASN 80 CO 0.12 0.66 0.00 0.18 -1.06 0.00 0.00 177.43 177.33 1ryu n LEU 81 N -4.00 3.39 -2.81 1.61 4.77 -0.79 -5.03 117.00 114.14 1ryu n LEU 81 Ca -0.02 -1.45 -0.02 0.00 -0.03 0.00 0.00 56.01 54.50 1ryu n LEU 81 Cb 0.50 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1ryu n LEU 81 CO 0.42 0.71 -0.49 0.59 -1.33 0.00 0.00 177.39 177.29 1ryu n ASN 82 N 1.45 -5.57 0.00 -1.43 4.13 -0.90 -4.67 115.26 108.27 1ryu n ASN 82 Ca 0.18 1.18 0.00 0.00 1.68 0.00 0.00 54.58 57.62 1ryu n ASN 82 Cb 0.60 -4.21 0.00 0.00 -1.54 0.00 0.00 39.78 34.62 1ryu n ASN 82 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1ryu n VAL 83 N 1.31 0.00 0.00 2.41 0.24 -0.92 -4.43 118.33 116.94 1ryu n VAL 83 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1ryu n VAL 83 Cb 0.28 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1ryu n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ryu n GLY 84 N 0.88 0.42 3.53 7.63 0.00 -1.26 -4.76 105.19 111.63 1ryu n GLY 84 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ryu n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ryu n THR 85 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.86 114.28 108.53 1ryu n THR 85 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ryu n THR 85 Cb 0.00 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1ryu n THR 85 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ryu n SER 86 N -0.30 0.00 0.17 3.42 3.41 -1.26 -4.95 113.62 114.11 1ryu n SER 86 Ca 0.00 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1ryu n SER 86 Cb 0.15 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1ryu n SER 86 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ryu n SER 87 N -0.74 -2.71 0.29 4.04 7.64 -1.26 -4.89 113.62 115.99 1ryu n SER 87 Ca 0.00 0.65 0.19 0.00 1.01 0.00 0.00 58.87 60.71 1ryu n SER 87 Cb 0.00 2.64 0.84 0.00 -1.01 0.00 0.00 64.21 66.68 1ryu n SER 87 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ryu h SER 88 N 0.00 0.00 -0.17 6.43 0.02 -2.00 -2.46 113.55 115.37 1ryu h SER 88 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1ryu h SER 88 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1ryu h SER 88 CO 0.00 0.00 -0.18 0.00 -1.14 0.00 0.00 176.83 175.51 1ryu h ALA 89 N 2.01 1.08 -0.15 3.77 0.00 -1.92 0.63 119.26 124.68 1ryu h ALA 89 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1ryu h ALA 89 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ryu h ALA 89 CO 0.00 0.56 -0.42 0.00 0.00 0.00 0.00 179.25 179.40 1ryu h ALA 90 N 1.27 0.25 -0.37 0.00 0.00 -1.71 -0.19 119.26 118.52 1ryu h ALA 90 Ca 0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1ryu h ALA 90 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ryu h ALA 90 CO 0.04 0.37 -0.20 1.03 0.00 0.00 0.00 179.25 180.49 1ryu h SER 91 N 0.18 0.71 -0.08 0.00 0.87 -1.51 0.48 113.55 114.21 1ryu h SER 91 Ca -0.01 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.27 1ryu h SER 91 Cb 1.03 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1ryu h SER 91 CO 0.09 0.90 -0.11 -1.28 -0.53 0.00 0.00 176.83 175.90 1ryu h SER 92 N 0.62 0.23 0.63 6.23 0.87 -0.87 -2.70 113.55 118.57 1ryu h SER 92 Ca 0.09 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1ryu h SER 92 Cb 0.68 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1ryu h SER 92 CO 0.05 0.71 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.94 1ryu h LEU 93 N -0.23 0.00 -0.21 2.23 -0.00 -0.96 -0.25 115.31 115.89 1ryu h LEU 93 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.79 1ryu h LEU 93 Cb 0.65 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1ryu h LEU 93 CO 0.03 0.05 -0.27 0.50 -0.00 0.00 0.00 178.44 178.75 1ryu h LYS 94 N 0.00 0.55 0.00 1.13 1.63 -0.71 0.20 116.57 119.37 1ryu h LYS 94 Ca -0.00 -0.31 -0.16 0.00 -0.85 0.00 0.00 60.65 59.33 1ryu h LYS 94 Cb 0.38 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1ryu h LYS 94 CO 0.01 0.91 -0.76 -0.22 -3.45 0.00 0.00 179.45 175.94 1ryu h LYS 95 N 0.23 0.00 0.00 1.90 3.64 -1.13 -2.76 116.57 118.44 1ryu h LYS 95 Ca 0.02 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 1ryu h LYS 95 Cb 0.84 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1ryu h LYS 95 CO 0.06 0.76 -0.83 1.96 -2.27 0.00 0.00 179.45 179.14 1ryu h GLN 96 N 0.00 0.00 -0.20 1.90 1.08 -1.01 -1.25 115.11 115.64 1ryu h GLN 96 Ca -0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1ryu h GLN 96 Cb 1.45 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.87 1ryu h GLN 96 CO 0.10 0.83 -0.22 -0.92 -0.95 0.00 0.00 178.83 177.67 1ryu h TYR 97 N 0.00 0.60 -0.01 2.96 3.20 -0.55 -0.75 116.97 122.42 1ryu h TYR 97 Ca -0.01 -0.19 -0.14 0.00 3.14 0.00 0.00 58.73 61.53 1ryu h TYR 97 Cb 1.49 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 1ryu h TYR 97 CO 0.00 0.86 -0.66 -0.84 -1.64 0.00 0.00 178.16 175.88 1ryu h ILE 98 N 0.16 1.47 -0.38 1.81 3.07 -1.52 -0.35 117.51 121.76 1ryu h ILE 98 Ca 0.03 -2.25 -0.13 0.00 1.55 0.00 0.00 64.86 64.06 1ryu h ILE 98 Cb 0.77 2.21 -0.01 0.00 -0.27 0.00 0.00 36.82 39.52 1ryu h ILE 98 CO 0.05 0.64 -0.28 -0.61 -1.05 0.00 0.00 178.15 176.91 1ryu h GLN 99 N 0.02 0.86 0.20 0.16 5.75 -1.15 -3.31 115.11 117.64 1ryu h GLN 99 Ca -0.01 -0.42 -0.01 0.00 -0.15 0.00 0.00 58.65 58.06 1ryu h GLN 99 Cb 1.17 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1ryu h GLN 99 CO 0.09 1.06 -0.09 0.00 -2.65 0.00 0.00 178.83 177.23 1ryu n LEU 101 N -4.96 0.00 0.00 0.00 4.32 -0.15 -4.45 117.00 111.76 1ryu n LEU 101 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1ryu n LEU 101 Cb 0.26 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1ryu n LEU 101 CO 0.25 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.42 1ryu n TYR 102 N 0.00 0.00 0.11 -1.77 4.19 -1.25 -1.39 117.16 117.05 1ryu n TYR 102 Ca 0.00 0.00 0.04 0.00 3.31 0.00 0.00 57.90 61.25 1ryu n TYR 102 Cb 0.00 0.00 0.44 0.00 0.49 0.00 0.00 39.34 40.27 1ryu n TYR 102 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ryu h ALA 103 N -0.83 1.64 0.00 2.98 0.00 -1.88 -0.48 119.26 120.69 1ryu h ALA 103 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1ryu h ALA 103 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ryu h ALA 103 CO 0.00 0.27 -0.58 0.35 0.00 0.00 0.00 179.25 179.30 1ryu h PHE 104 N 0.28 0.00 -0.82 0.00 3.57 -1.45 -2.80 116.94 115.72 1ryu h PHE 104 Ca 0.07 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1ryu h PHE 104 Cb 0.20 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1ryu h PHE 104 CO 0.00 0.58 0.55 1.49 -2.23 0.00 0.00 178.31 178.70 1ryu h GLU 105 N 0.00 1.07 0.00 1.11 4.22 -1.24 0.14 114.58 119.88 1ryu h GLU 105 Ca -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1ryu h GLU 105 Cb 1.32 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ryu h GLU 105 CO 0.07 0.71 -0.15 0.00 -2.18 0.00 0.00 179.01 177.46 1ryu n LYS 107 N -2.84 3.94 0.00 0.00 4.81 0.29 -2.84 118.16 121.51 1ryu n LYS 107 Ca 0.04 -2.52 0.00 0.00 -0.87 0.00 0.00 58.31 54.96 1ryu n LYS 107 Cb 0.51 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1ryu n LYS 107 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1ryu n ILE 108 N 0.62 0.00 -0.02 3.15 0.00 -0.03 -4.87 119.36 118.21 1ryu n ILE 108 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 62.75 62.91 1ryu n ILE 108 Cb 0.95 0.00 -0.02 0.00 0.00 0.00 0.00 39.64 40.57 1ryu n ILE 108 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1ryu n GLU 109 N -0.13 0.12 -2.52 9.51 0.00 -0.71 -4.31 120.64 122.61 1ryu n GLU 109 Ca 0.00 0.05 -0.43 0.00 0.00 0.00 0.00 57.16 56.78 1ryu n GLU 109 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 31.44 30.71 1ryu n GLU 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1ryu s ARG 110 N -2.12 3.76 0.00 5.31 3.00 -1.13 -2.37 118.95 125.40 1ryu s ARG 110 Ca -0.08 0.82 0.00 0.00 -1.00 0.00 0.00 55.73 55.47 1ryu s ARG 110 Cb 0.03 -3.91 0.00 0.00 0.00 0.00 0.00 34.95 31.07 1ryu s ARG 110 CO 0.10 -1.33 0.00 0.41 0.00 0.00 0.00 175.30 174.48 1ryu n GLY 111 N 4.70 2.12 0.34 8.12 0.00 -1.26 -4.60 105.19 114.61 1ryu n GLY 111 Ca 0.13 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1ryu n GLY 111 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ryu h GLU 112 N 0.00 1.10 -6.30 1.61 3.07 -1.82 -3.38 114.58 108.87 1ryu h GLU 112 Ca 0.00 -0.13 -0.63 0.00 -0.50 0.00 0.00 59.36 58.10 1ryu h GLU 112 Cb 0.00 -0.21 0.03 0.00 -0.84 0.00 0.00 28.75 27.72 1ryu h GLU 112 CO 0.00 0.82 1.00 -0.40 -1.40 0.00 0.00 179.01 179.03 1ryu n ASP 113 N -4.34 3.18 -0.77 1.42 5.75 -1.00 -4.54 116.55 116.26 1ryu n ASP 113 Ca 0.08 1.01 -0.08 0.00 -0.01 0.00 0.00 54.79 55.79 1ryu n ASP 113 Cb 0.11 -1.34 -0.02 0.00 -1.03 0.00 0.00 41.12 38.83 1ryu n ASP 113 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1ryu n PRO 114 N 5.78 0.00 -0.74 0.11 -0.02 -1.26 -4.26 135.00 134.61 1ryu n PRO 114 Ca 0.22 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.53 1ryu n PRO 114 Cb 0.27 -0.26 -0.09 0.00 -0.02 0.00 0.00 33.50 33.40 1ryu n PRO 114 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ryu n PRO 115 N 1.43 0.00 -0.79 0.52 -0.02 -1.26 -4.63 135.00 130.25 1ryu n PRO 115 Ca 0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.30 1ryu n PRO 115 Cb 0.00 -0.65 -0.04 0.00 -0.02 0.00 0.00 33.50 32.79 1ryu n PRO 115 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ryu n PRO 116 N 3.66 1.49 -1.26 0.52 -0.04 -1.26 -3.97 135.00 134.15 1ryu n PRO 116 Ca 0.33 -1.46 -0.11 0.00 -0.04 0.00 0.00 63.50 62.22 1ryu n PRO 116 Cb 0.03 -2.58 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 1ryu n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ryu n ASP 117 N 5.85 -3.24 -4.48 3.54 2.03 -1.22 -4.70 116.55 114.33 1ryu n ASP 117 Ca 0.42 0.26 -0.12 0.00 0.52 0.00 0.00 54.79 55.86 1ryu n ASP 117 Cb 0.24 -2.94 -0.10 0.00 -0.72 0.00 0.00 41.12 37.60 1ryu n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ryu n ILE 118 N -1.72 0.00 -1.45 5.18 3.06 -1.25 -1.39 119.36 121.77 1ryu n ILE 118 Ca -0.11 -0.27 -0.16 0.00 -2.50 0.00 0.00 62.75 59.71 1ryu n ILE 118 Cb 0.39 -1.51 -0.07 0.00 0.54 0.00 0.00 39.64 38.99 1ryu n ILE 118 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1ryu n PHE 119 N 16.00 -0.09 -0.60 9.51 3.72 -1.26 -5.05 117.46 139.69 1ryu n PHE 119 Ca 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 1ryu n PHE 119 Cb 0.43 -3.04 0.00 0.00 -0.94 0.00 0.00 39.48 35.93 1ryu n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71