#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryu s SER 2 N 0.00 2.24 0.24 -3.46 0.01 -1.26 -5.04 113.70 106.43 1ryu s SER 2 Ca 0.00 -0.60 0.16 0.00 1.31 0.00 0.00 55.95 56.82 1ryu s SER 2 Cb 0.00 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.13 1ryu s SER 2 CO 0.00 0.05 1.30 0.71 0.41 0.00 0.00 173.24 175.71 1ryu h THR 3 N 4.24 0.69 -3.38 1.44 1.35 -1.95 -3.45 112.91 111.85 1ryu h THR 3 Ca -0.43 -2.04 -0.55 0.00 -0.55 0.00 0.00 66.41 62.83 1ryu h THR 3 Cb 1.18 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 69.83 1ryu h THR 3 CO 0.41 0.39 0.26 0.42 -0.25 0.00 0.00 175.52 176.75 1ryu s THR 4 N -2.99 4.94 0.81 6.82 -4.23 -1.26 -2.41 115.64 117.32 1ryu s THR 4 Ca 0.02 1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 62.16 1ryu s THR 4 Cb 0.08 -4.19 0.04 0.00 1.34 0.00 0.00 72.50 69.77 1ryu s THR 4 CO 0.76 0.19 0.89 0.41 -0.54 0.00 0.00 174.62 176.33 1ryu n THR 5 N 3.92 1.64 0.05 3.99 -1.04 -1.26 -4.79 114.28 116.80 1ryu n THR 5 Ca 0.03 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1ryu n THR 5 Cb 0.51 -0.98 0.02 0.00 -1.82 0.00 0.00 70.33 68.06 1ryu n THR 5 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ryu n ASN 6 N -2.15 0.00 -4.70 8.00 4.05 -1.26 -4.49 115.26 114.70 1ryu n ASN 6 Ca 0.11 0.19 -0.35 0.00 0.45 0.00 0.00 54.58 54.98 1ryu n ASN 6 Cb 0.51 -0.21 -0.09 0.00 1.23 0.00 0.00 39.78 41.22 1ryu n ASN 6 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1ryu s GLU 7 N -2.41 4.13 -0.23 1.20 8.01 -1.26 -4.96 118.70 123.17 1ryu s GLU 7 Ca 0.01 -0.25 0.04 0.00 0.01 0.00 0.00 54.97 54.78 1ryu s GLU 7 Cb 0.01 -3.44 -0.19 0.00 -4.31 0.00 0.00 34.13 26.19 1ryu s GLU 7 CO 0.01 0.22 -0.10 1.17 0.01 0.00 0.00 175.26 176.57 1ryu n LYS 8 N 3.78 0.67 -0.26 1.61 3.00 -1.26 -4.74 118.16 120.96 1ryu n LYS 8 Ca -0.16 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1ryu n LYS 8 Cb 0.52 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1ryu n LYS 8 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1ryu n ILE 9 N -3.19 0.00 -0.30 3.15 -0.00 -1.26 -4.73 119.36 113.04 1ryu n ILE 9 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.33 1ryu n ILE 9 Cb 1.03 -1.54 0.00 0.00 -0.00 0.00 0.00 39.64 39.13 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 -0.89 0.00 -0.12 7.28 5.66 -1.26 -4.65 114.28 120.31 1ryu n THR 10 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1ryu n THR 10 Cb 0.00 0.00 0.31 0.00 -1.55 0.00 0.00 70.33 69.09 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 0.78 -0.58 1.09 3.11 -1.87 0.12 116.57 119.23 1ryu h LYS 11 Ca 0.00 -0.06 0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1ryu h LYS 11 Cb 0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.03 1ryu h LYS 11 CO 0.00 0.54 0.38 -0.07 -2.81 0.00 0.00 179.45 177.50 1ryu h LEU 12 N 0.80 0.65 -2.57 5.20 3.38 -1.95 -0.81 115.31 120.01 1ryu h LEU 12 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ryu h LEU 12 Cb -0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1ryu h LEU 12 CO -0.04 0.46 0.01 0.22 0.09 0.00 0.00 178.44 179.19 1ryu h TYR 13 N 0.76 0.00 -3.08 1.13 3.20 -1.10 -3.37 116.97 114.51 1ryu h TYR 13 Ca 0.22 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.57 1ryu h TYR 13 Cb -0.05 0.00 -0.40 0.00 1.54 0.00 0.00 36.73 37.81 1ryu h TYR 13 CO -0.00 0.00 -0.76 -1.83 -1.64 0.00 0.00 178.16 173.93 1ryu s GLU 14 N -4.53 0.37 -0.00 1.82 -1.05 -0.31 -4.96 118.70 110.04 1ryu s GLU 14 Ca -0.05 -0.43 0.06 0.00 -0.15 0.00 0.00 54.97 54.40 1ryu s GLU 14 Cb 0.15 -1.79 -0.08 0.00 -0.44 0.00 0.00 34.13 31.97 1ryu s GLU 14 CO 0.52 -0.78 0.20 -0.11 0.95 0.00 0.00 175.26 176.03 1ryu n LEU 15 N 5.14 0.14 -3.74 1.83 7.94 -1.25 -4.72 117.00 122.34 1ryu n LEU 15 Ca -0.07 -0.25 -0.14 0.00 -1.11 0.00 0.00 56.01 54.45 1ryu n LEU 15 Cb 0.46 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.32 1ryu n LEU 15 CO 0.10 0.04 0.06 -0.83 -1.11 0.00 0.00 177.39 175.64 1ryu s GLY 16 N -2.16 -0.19 0.00 -3.96 0.00 -1.26 -4.88 107.32 94.88 1ryu s GLY 16 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1ryu s GLY 16 CO 0.26 0.17 0.00 0.61 0.00 0.00 0.00 173.10 174.14 1ryu n GLY 17 N 1.22 1.60 2.74 0.20 0.00 -1.26 -4.86 105.19 104.83 1ryu n GLY 17 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1ryu n GLY 17 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ryu n GLU 18 N -2.00 0.82 0.00 1.61 0.28 -1.26 -4.99 120.64 115.09 1ryu n GLU 18 Ca 0.00 -1.73 -0.04 0.00 -0.16 0.00 0.00 57.16 55.23 1ryu n GLU 18 Cb 0.00 -1.25 0.18 0.00 1.43 0.00 0.00 31.44 31.80 1ryu n GLU 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1ryu h PRO 19 N 3.61 0.52 -0.17 3.44 0.13 -1.90 0.12 132.00 137.75 1ryu h PRO 19 Ca -0.14 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.74 1ryu h PRO 19 Cb 1.06 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ryu h PRO 19 CO 0.24 0.74 -0.07 0.93 -0.23 0.00 0.00 178.00 179.61 1ryu h GLU 20 N 0.45 0.34 -0.13 0.86 5.08 -1.98 0.98 114.58 120.18 1ryu h GLU 20 Ca 0.06 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1ryu h GLU 20 Cb 0.70 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1ryu h GLU 20 CO 0.05 0.64 -0.53 0.00 -1.00 0.00 0.00 179.01 178.18 1ryu h ARG 21 N 0.02 0.36 -0.10 2.33 -0.00 -1.95 -0.22 114.38 114.83 1ryu h ARG 21 Ca 0.04 -0.22 -0.13 0.00 -0.50 0.00 0.00 59.98 59.17 1ryu h ARG 21 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.51 1ryu h ARG 21 CO 0.02 0.80 -0.51 1.57 0.00 0.00 0.00 179.97 181.85 1ryu h LYS 22 N 0.28 0.27 -0.10 0.04 2.10 -0.70 0.16 116.57 118.63 1ryu h LYS 22 Ca 0.01 -0.16 -0.04 0.00 -2.00 0.00 0.00 60.65 58.47 1ryu h LYS 22 Cb 1.02 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1ryu h LYS 22 CO 0.09 0.72 -0.08 1.98 -2.00 0.00 0.00 179.45 180.16 1ryu h MET 23 N 0.21 0.23 -0.85 0.07 4.05 -0.52 -0.48 114.93 117.64 1ryu h MET 23 Ca 0.01 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.28 1ryu h MET 23 Cb 0.97 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.74 1ryu h MET 23 CO 0.08 0.63 0.41 2.35 0.23 0.00 0.00 176.91 180.61 1ryu h TRP 24 N -0.17 1.22 -0.71 1.39 2.91 -0.92 0.09 115.95 119.76 1ryu h TRP 24 Ca 0.02 -0.06 -0.07 0.00 1.13 0.00 0.00 58.89 59.91 1ryu h TRP 24 Cb 0.58 -0.38 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 1ryu h TRP 24 CO 0.08 0.88 0.18 -0.24 -1.03 0.00 0.00 178.44 178.31 1ryu h VAL 25 N 1.21 1.26 -0.71 2.65 3.04 -0.63 -1.27 116.25 121.79 1ryu h VAL 25 Ca 0.29 -0.97 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 1ryu h VAL 25 Cb 0.12 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 1ryu h VAL 25 CO -0.04 0.37 0.36 -0.78 -1.01 0.00 0.00 177.57 176.48 1ryu h ASP 26 N 1.08 0.90 -0.29 3.17 3.58 -0.27 -1.51 116.42 123.08 1ryu h ASP 26 Ca 0.22 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1ryu h ASP 26 Cb 0.37 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1ryu h ASP 26 CO 0.00 0.74 0.13 0.03 -2.88 0.00 0.00 179.24 177.27 1ryu h ARG 27 N 1.00 0.42 -0.55 0.28 3.08 -0.34 -0.49 114.38 117.78 1ryu h ARG 27 Ca 0.25 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.29 1ryu h ARG 27 Cb 0.07 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1ryu h ARG 27 CO -0.04 0.41 0.27 -0.92 -1.07 0.00 0.00 179.97 178.62 1ryu h TYR 28 N 0.32 0.49 -0.44 3.04 5.03 -0.70 0.29 116.97 125.00 1ryu h TYR 28 Ca 0.10 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 1ryu h TYR 28 Cb 0.14 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1ryu h TYR 28 CO -0.02 0.22 0.23 -0.07 -1.32 0.00 0.00 178.16 177.20 1ryu h LEU 29 N 0.51 0.56 -1.86 2.82 -0.00 -1.00 -0.17 115.31 116.17 1ryu h LEU 29 Ca 0.25 -0.10 0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1ryu h LEU 29 Cb 0.19 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 1ryu h LEU 29 CO -0.19 0.51 0.13 0.00 -0.00 0.00 0.00 178.44 178.89 1ryu h ALA 30 N 1.08 1.95 -0.32 1.53 0.00 -0.37 -0.32 119.26 122.80 1ryu h ALA 30 Ca 0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1ryu h ALA 30 Cb 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ryu h ALA 30 CO -0.02 0.02 -0.38 0.35 0.00 0.00 0.00 179.25 179.22 1ryu h PHE 31 N 0.19 1.00 -0.50 0.00 3.04 0.18 0.17 116.94 121.02 1ryu h PHE 31 Ca 0.08 -0.32 -0.04 0.00 3.98 0.00 0.00 57.97 61.67 1ryu h PHE 31 Cb 0.09 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 1ryu h PHE 31 CO -0.00 1.11 0.15 1.79 -2.02 0.00 0.00 178.31 179.35 1ryu h THR 32 N 0.60 1.23 -0.19 4.41 1.35 0.58 -2.93 112.91 117.96 1ryu h THR 32 Ca 0.04 -0.78 -0.20 0.00 -0.55 0.00 0.00 66.41 64.92 1ryu h THR 32 Cb 0.97 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1ryu h THR 32 CO 0.09 0.29 -0.69 -0.33 -0.25 0.00 0.00 175.52 174.62 1ryu h GLU 33 N 0.68 0.76 -0.71 4.72 5.08 -1.25 0.70 114.58 124.57 1ryu h GLU 33 Ca 0.16 -0.57 0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1ryu h GLU 33 Cb 0.28 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1ryu h GLU 33 CO -0.00 1.19 0.47 1.49 -1.00 0.00 0.00 179.01 181.15 1ryu h GLU 34 N 0.54 0.71 -0.47 2.33 4.57 -0.88 -1.93 114.58 119.46 1ryu h GLU 34 Ca -0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1ryu h GLU 34 Cb 1.30 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1ryu h GLU 34 CO 0.14 0.47 0.00 1.63 -1.18 0.00 0.00 179.01 180.07 1ryu n LYS 35 N -4.48 2.70 -3.02 1.92 4.01 -1.11 -4.93 118.16 113.25 1ryu n LYS 35 Ca 0.10 -2.24 -0.22 0.00 -0.51 0.00 0.00 58.31 55.45 1ryu n LYS 35 Cb 0.23 -1.38 0.02 0.00 -0.51 0.00 0.00 35.03 33.38 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 0.97 -0.96 0.10 7.82 0.00 -0.73 -4.79 120.51 122.93 1ryu n ALA 36 Ca 0.16 0.20 0.20 0.00 0.00 0.00 0.00 53.44 54.01 1ryu n ALA 36 Cb 0.50 -3.21 0.74 0.00 0.00 0.00 0.00 19.45 17.47 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 -1.03 0.00 0.00 0.00 4.05 0.15 -3.40 114.93 114.70 1ryu h MET 37 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1ryu h MET 37 Cb 1.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 1ryu h MET 37 CO 0.54 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.09 1ryu n GLY 38 N -1.48 0.05 4.44 1.39 0.00 -1.25 -5.00 105.19 103.35 1ryu n GLY 38 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.57 0.00 0.00 1.61 1.56 -1.26 -4.84 117.12 113.62 1ryu n MET 39 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1ryu n MET 39 Cb 0.00 -1.69 0.00 0.00 2.15 0.00 0.00 33.22 33.68 1ryu n MET 39 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1ryu n THR 40 N -1.04 0.00 -3.35 1.12 5.66 -1.26 -5.05 114.28 110.35 1ryu n THR 40 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1ryu n THR 40 Cb 0.00 -0.14 -0.06 0.00 -1.55 0.00 0.00 70.33 68.57 1ryu n THR 40 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ryu s ASN 41 N 0.06 6.62 0.15 1.09 2.20 -1.26 -4.84 114.94 118.96 1ryu s ASN 41 Ca 0.00 0.74 0.00 0.00 -0.94 0.00 0.00 52.86 52.66 1ryu s ASN 41 Cb 0.00 -2.27 0.00 0.00 -2.00 0.00 0.00 41.25 36.98 1ryu s ASN 41 CO 0.00 0.01 0.00 -0.11 -2.94 0.00 0.00 177.10 174.06 1ryu n LEU 42 N 3.74 0.13 -1.26 3.54 0.00 -1.26 -4.85 117.00 117.05 1ryu n LEU 42 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 56.01 56.18 1ryu n LEU 42 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 43.42 44.06 1ryu n LEU 42 CO 0.42 -0.62 0.47 -0.81 0.00 0.00 0.00 177.39 176.85 1ryu n PRO 43 N -3.18 0.68 -4.31 1.96 -0.04 -1.26 -4.82 135.00 124.03 1ryu n PRO 43 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1ryu n PRO 43 Cb 0.06 -1.16 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.45 3.28 0.13 0.55 0.00 -1.26 -4.16 121.76 120.75 1ryu s ALA 44 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1ryu s ALA 44 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1ryu s ALA 44 CO 0.00 0.63 0.14 0.14 0.00 0.00 0.00 175.76 176.68 1ryu s VAL 45 N -1.03 4.66 0.17 0.00 -7.23 -0.52 -4.45 120.40 112.00 1ryu s VAL 45 Ca 0.18 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1ryu s VAL 45 Cb -0.11 -3.34 0.26 0.00 0.56 0.00 0.00 36.38 33.75 1ryu s VAL 45 CO 0.08 -0.02 0.91 0.61 -0.31 0.00 0.00 175.10 176.37 1ryu n GLY 46 N -0.10 -0.93 0.00 2.32 0.00 -1.01 -3.75 105.19 101.72 1ryu n GLY 46 Ca -0.08 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1ryu n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ryu n ARG 47 N -4.89 0.00 -1.54 1.61 0.63 -1.26 -4.72 116.66 106.50 1ryu n ARG 47 Ca 0.10 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.73 1ryu n ARG 47 Cb 0.33 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.30 1ryu n ARG 47 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ryu s LYS 48 N 0.17 2.72 0.00 -0.14 3.01 -1.25 -4.78 119.74 119.47 1ryu s LYS 48 Ca 0.00 0.92 0.00 0.00 -1.01 0.00 0.00 55.97 55.88 1ryu s LYS 48 Cb 0.00 -1.97 0.00 0.00 -1.01 0.00 0.00 37.83 34.85 1ryu s LYS 48 CO 0.00 -1.24 0.00 -2.30 0.51 0.00 0.00 175.35 172.32 1ryu n PRO 49 N -3.22 0.00 -3.71 -1.68 -0.02 -1.26 -2.65 135.00 122.45 1ryu n PRO 49 Ca 0.08 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.19 1ryu n PRO 49 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 1ryu n PRO 49 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ryu s LEU 50 N 0.00 5.33 -0.00 2.45 1.02 -1.26 -1.43 118.68 124.79 1ryu s LEU 50 Ca 0.00 -2.45 -0.06 0.00 0.02 0.00 0.00 54.13 51.64 1ryu s LEU 50 Cb 0.00 -1.87 -0.27 0.00 0.02 0.00 0.00 46.19 44.08 1ryu s LEU 50 CO 0.00 -0.47 3.61 0.47 0.02 0.00 0.00 176.35 179.97 1ryu n ASP 51 N 4.06 5.24 -0.23 2.29 9.92 -1.26 -4.55 116.55 132.01 1ryu n ASP 51 Ca 0.03 -2.48 -0.06 0.00 -0.53 0.00 0.00 54.79 51.75 1ryu n ASP 51 Cb 0.40 -1.42 0.04 0.00 -0.64 0.00 0.00 41.12 39.50 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 4.97 0.77 -0.34 0.64 5.85 -1.93 0.63 115.31 125.91 1ryu h LEU 52 Ca 0.19 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1ryu h LEU 52 Cb 1.51 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1ryu h LEU 52 CO 0.23 0.60 0.06 0.22 -0.34 0.00 0.00 178.44 179.21 1ryu h TYR 53 N 0.88 0.59 -0.21 1.25 3.20 -1.95 0.71 116.97 121.44 1ryu h TYR 53 Ca 0.23 -0.08 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 1ryu h TYR 53 Cb -0.04 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1ryu h TYR 53 CO -0.02 0.62 -0.53 0.00 -1.64 0.00 0.00 178.16 176.59 1ryu h ARG 54 N 0.39 0.61 -0.09 1.82 3.08 -1.88 -1.51 114.38 116.80 1ryu h ARG 54 Ca 0.10 -0.37 -0.12 0.00 0.07 0.00 0.00 59.98 59.66 1ryu h ARG 54 Cb 0.34 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1ryu h ARG 54 CO 0.01 0.98 -0.47 1.25 -1.07 0.00 0.00 179.97 180.67 1ryu h LEU 55 N 0.47 0.23 0.04 3.04 5.85 0.46 0.28 115.31 125.68 1ryu h LEU 55 Ca 0.01 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1ryu h LEU 55 Cb 1.07 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1ryu h LEU 55 CO 0.10 0.67 -0.02 0.22 -0.34 0.00 0.00 178.44 179.07 1ryu h TYR 56 N 0.17 -0.05 -0.18 1.25 3.20 0.69 0.29 116.97 122.34 1ryu h TYR 56 Ca 0.01 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1ryu h TYR 56 Cb 0.90 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1ryu h TYR 56 CO 0.01 0.40 -0.37 -0.39 -1.64 0.00 0.00 178.16 176.17 1ryu h VAL 57 N -0.53 1.30 -0.25 1.81 -1.51 -1.25 -1.23 116.25 114.59 1ryu h VAL 57 Ca -0.01 -1.48 -0.05 0.00 -1.23 0.00 0.00 66.70 63.94 1ryu h VAL 57 Cb 0.48 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1ryu h VAL 57 CO 0.01 0.45 -0.02 0.28 -1.23 0.00 0.00 177.57 177.06 1ryu h SER 58 N 0.33 0.46 -0.00 4.19 0.02 -0.39 -1.47 113.55 116.69 1ryu h SER 58 Ca 0.03 -0.33 -0.08 0.00 -0.84 0.00 0.00 61.79 60.58 1ryu h SER 58 Cb 0.81 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1ryu h SER 58 CO 0.06 0.68 -0.20 1.62 -1.14 0.00 0.00 176.83 177.86 1ryu h VAL 59 N 0.23 1.24 0.26 2.27 3.04 -0.27 0.66 116.25 123.67 1ryu h VAL 59 Ca 0.07 -1.09 -0.01 0.00 -1.01 0.00 0.00 66.70 64.67 1ryu h VAL 59 Cb 0.46 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1ryu h VAL 59 CO 0.02 0.34 -0.16 0.11 -1.01 0.00 0.00 177.57 176.87 1ryu h LYS 60 N 0.33 -0.39 -0.03 4.17 1.57 -0.97 -2.41 116.57 118.85 1ryu h LYS 60 Ca 0.06 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1ryu h LYS 60 Cb 0.55 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1ryu h LYS 60 CO 0.04 -0.26 -0.35 0.93 -0.57 0.00 0.00 179.45 179.24 1ryu h GLU 61 N -0.40 0.06 -0.98 3.15 5.08 -0.90 -3.00 114.58 117.60 1ryu h GLU 61 Ca -0.03 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1ryu h GLU 61 Cb 0.33 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.47 1ryu h GLU 61 CO 0.03 0.41 0.57 0.82 -1.00 0.00 0.00 179.01 179.84 1ryu h ILE 62 N 0.06 0.69 0.00 3.13 2.04 0.83 -3.45 117.51 120.80 1ryu h ILE 62 Ca 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1ryu h ILE 62 Cb 0.65 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ryu h ILE 62 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.94 1ryu n GLY 63 N -1.33 1.41 0.00 5.37 0.00 -1.09 -4.92 105.19 104.64 1ryu n GLY 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 1.88 0.25 -0.02 0.00 -1.15 -4.82 105.19 101.34 1ryu n GLY 64 Ca 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 1ryu n GLY 64 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ryu h LEU 65 N 0.00 0.62 -1.25 0.99 -0.00 -1.97 -2.13 115.31 111.57 1ryu h LEU 65 Ca 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 1ryu h LEU 65 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 1ryu h LEU 65 CO 0.00 0.43 -0.16 0.71 -0.00 0.00 0.00 178.44 179.42 1ryu h THR 66 N 0.75 1.21 -0.45 0.15 1.35 -1.99 -2.44 112.91 111.48 1ryu h THR 66 Ca 0.26 -0.94 -0.12 0.00 -0.55 0.00 0.00 66.41 65.06 1ryu h THR 66 Cb 0.05 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 1ryu h THR 66 CO -0.12 0.30 -0.18 1.56 -0.25 0.00 0.00 175.52 176.83 1ryu h GLN 67 N 0.30 0.89 -0.02 4.72 1.08 -1.72 -2.62 115.11 117.74 1ryu h GLN 67 Ca 0.06 -0.35 -0.09 0.00 -1.45 0.00 0.00 58.65 56.82 1ryu h GLN 67 Cb 0.46 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1ryu h GLN 67 CO 0.03 1.00 -0.41 0.28 -0.95 0.00 0.00 178.83 178.78 1ryu h VAL 68 N 0.78 1.30 0.00 -0.54 2.07 -1.12 0.25 116.25 118.98 1ryu h VAL 68 Ca 0.11 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 1ryu h VAL 68 Cb 0.72 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1ryu h VAL 68 CO 0.06 0.41 -0.33 -1.13 0.02 0.00 0.00 177.57 176.60 1ryu h ASN 69 N 0.04 0.00 0.00 0.57 -1.24 -1.07 -3.38 115.58 110.50 1ryu h ASN 69 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ryu h ASN 69 Cb 0.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.79 1ryu h ASN 69 CO 0.05 0.33 0.00 2.29 -1.29 0.00 0.00 177.43 178.81 1ryu n LYS 70 N -3.50 0.00 -0.73 6.67 2.85 -1.10 -4.87 118.16 117.47 1ryu n LYS 70 Ca -0.00 -0.35 0.08 0.00 -1.05 0.00 0.00 58.31 56.99 1ryu n LYS 70 Cb 0.48 -0.36 0.37 0.00 -0.65 0.00 0.00 35.03 34.86 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 5.13 -1.30 -5.58 2.85 0.86 -4.89 115.26 112.33 1ryu n ASN 71 Ca 0.00 -2.74 -0.17 0.00 -0.11 0.00 0.00 54.58 51.56 1ryu n ASN 71 Cb 0.49 -0.62 -0.07 0.00 1.24 0.00 0.00 39.78 40.82 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 0.68 -1.33 -0.29 1.20 5.02 -1.26 -4.84 118.16 117.34 1ryu n LYS 72 Ca 0.26 1.09 0.01 0.00 -2.02 0.00 0.00 58.31 57.66 1ryu n LYS 72 Cb 1.04 -5.38 0.15 0.00 -0.02 0.00 0.00 35.03 30.82 1ryu n LYS 72 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ryu h LYS 73 N 0.01 0.83 -0.99 1.97 1.79 -1.77 -2.45 116.57 115.95 1ryu h LYS 73 Ca -0.35 -0.05 0.30 0.00 -2.18 0.00 0.00 60.65 58.38 1ryu h LYS 73 Cb 1.18 -0.19 -0.18 0.00 -1.58 0.00 0.00 32.23 31.46 1ryu h LYS 73 CO 0.51 0.55 0.14 0.11 -1.08 0.00 0.00 179.45 179.68 1ryu h TRP 74 N 0.85 0.15 -0.17 -1.35 0.09 -1.89 2.17 115.95 115.80 1ryu h TRP 74 Ca 0.38 0.06 -0.13 0.00 0.09 0.00 0.00 58.89 59.29 1ryu h TRP 74 Cb 0.26 0.10 -0.01 0.00 0.08 0.00 0.00 29.16 29.59 1ryu h TRP 74 CO -0.05 -0.44 -0.44 -0.09 0.09 0.00 0.00 178.44 177.51 1ryu h ARG 75 N 0.01 0.40 -0.10 0.12 2.43 -1.73 -0.47 114.38 115.04 1ryu h ARG 75 Ca 0.66 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.58 1ryu h ARG 75 Cb 1.46 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1ryu h ARG 75 CO -0.89 0.77 -0.09 0.93 -1.51 0.00 0.00 179.97 179.18 1ryu h GLU 76 N 0.33 0.24 -0.08 0.20 4.39 0.33 -1.03 114.58 118.96 1ryu h GLU 76 Ca 0.02 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 1ryu h GLU 76 Cb 0.91 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1ryu h GLU 76 CO 0.08 0.65 -0.45 1.37 -1.16 0.00 0.00 179.01 179.50 1ryu h LEU 77 N -0.15 0.20 -0.53 1.33 -0.00 -0.04 0.57 115.31 116.68 1ryu h LEU 77 Ca 0.02 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.77 1ryu h LEU 77 Cb 0.60 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 1ryu h LEU 77 CO 0.02 0.63 0.18 0.00 -0.00 0.00 0.00 178.44 179.27 1ryu h ALA 78 N 1.38 0.70 -0.12 0.17 0.00 -1.03 -0.70 119.26 119.66 1ryu h ALA 78 Ca 0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1ryu h ALA 78 Cb 0.86 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ryu h ALA 78 CO 0.07 0.35 -0.72 1.15 0.00 0.00 0.00 179.25 180.09 1ryu h THR 79 N 0.73 1.34 -0.62 0.00 2.02 -0.84 -0.26 112.91 115.27 1ryu h THR 79 Ca 0.17 -2.04 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 1ryu h THR 79 Cb 0.26 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1ryu h THR 79 CO -0.01 0.63 0.35 0.78 0.37 0.00 0.00 175.52 177.63 1ryu h ASN 80 N 0.39 0.78 -0.28 4.18 2.35 0.42 -1.57 115.58 121.85 1ryu h ASN 80 Ca -0.03 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1ryu h ASN 80 Cb 1.31 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1ryu h ASN 80 CO 0.13 0.64 0.00 0.18 -1.65 0.00 0.00 177.43 176.74 1ryu n LEU 81 N -4.56 1.76 -3.24 1.61 4.77 -0.29 -4.96 117.00 112.09 1ryu n LEU 81 Ca 0.04 -0.84 -0.19 0.00 -0.03 0.00 0.00 56.01 55.00 1ryu n LEU 81 Cb 0.08 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1ryu n LEU 81 CO 0.37 0.42 -0.05 0.59 -1.33 0.00 0.00 177.39 177.39 1ryu n ASN 82 N 0.43 -6.70 -0.01 -1.43 3.02 -0.59 -4.72 115.26 105.26 1ryu n ASN 82 Ca 0.13 -0.01 0.02 0.00 -0.03 0.00 0.00 54.58 54.69 1ryu n ASN 82 Cb 0.30 -3.65 -0.05 0.00 -0.61 0.00 0.00 39.78 35.77 1ryu n ASN 82 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ryu n VAL 83 N -0.87 0.10 0.00 2.41 0.24 -0.14 -4.64 118.33 115.43 1ryu n VAL 83 Ca -0.03 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1ryu n VAL 83 Cb 0.57 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 2.22 2.99 2.69 7.63 0.00 -1.26 -4.53 105.19 114.93 1ryu n GLY 84 Ca -0.03 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.18 2.61 -2.24 -1.26 -4.84 114.28 107.37 1ryu n THR 85 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1ryu n THR 85 Cb 0.00 -1.59 -0.07 0.00 -2.10 0.00 0.00 70.33 66.58 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 -1.13 6.06 0.00 3.42 3.41 -1.26 -4.88 113.62 119.24 1ryu n SER 86 Ca -0.13 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1ryu n SER 86 Cb 0.60 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 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 1.25 0.00 0.29 4.04 7.64 -1.26 -3.96 113.62 121.62 1ryu n SER 87 Ca 0.40 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.45 1ryu n SER 87 Cb 0.65 0.00 0.97 0.00 -1.01 0.00 0.00 64.21 64.82 1ryu n SER 87 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ryu h SER 88 N 0.00 0.00 -0.41 6.43 4.64 -2.00 -0.53 113.55 121.69 1ryu h SER 88 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ryu h SER 88 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1ryu h SER 88 CO 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 176.83 176.17 1ryu h ALA 89 N 1.94 1.52 -0.30 5.18 0.00 -1.91 -1.41 119.26 124.28 1ryu h ALA 89 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ryu h ALA 89 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ryu h ALA 89 CO -0.00 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.66 1ryu h ALA 90 N 1.60 0.40 -0.37 0.00 0.00 -1.35 0.15 119.26 119.70 1ryu h ALA 90 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ryu h ALA 90 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ryu h ALA 90 CO -0.02 0.11 0.18 0.66 0.00 0.00 0.00 179.25 180.18 1ryu h SER 91 N 0.32 0.49 -0.44 0.00 4.64 -1.50 0.45 113.55 117.52 1ryu h SER 91 Ca 0.09 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1ryu h SER 91 Cb 0.38 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1ryu h SER 91 CO 0.01 0.49 0.10 0.28 -0.87 0.00 0.00 176.83 176.84 1ryu h SER 92 N 0.47 0.67 0.93 4.97 0.02 -1.20 -1.46 113.55 117.94 1ryu h SER 92 Ca 0.13 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1ryu h SER 92 Cb 0.13 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1ryu h SER 92 CO -0.02 0.73 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.29 1ryu h LEU 93 N 0.57 0.00 0.13 5.07 -0.00 -0.46 -0.59 115.31 120.03 1ryu h LEU 93 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1ryu h LEU 93 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1ryu h LEU 93 CO 0.00 0.05 -0.06 0.50 -0.00 0.00 0.00 178.44 178.93 1ryu h LYS 94 N 0.00 -0.17 -0.23 1.13 3.11 0.77 0.17 116.57 121.36 1ryu h LYS 94 Ca -0.00 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.78 1ryu h LYS 94 Cb 0.52 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1ryu h LYS 94 CO 0.01 0.27 -0.17 -0.22 -2.81 0.00 0.00 179.45 176.53 1ryu h LYS 95 N -0.69 0.39 -0.23 1.90 3.64 -1.11 -1.15 116.57 119.33 1ryu h LYS 95 Ca -0.02 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1ryu h LYS 95 Cb 0.51 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ryu h LYS 95 CO 0.03 0.55 -0.22 1.96 -2.27 0.00 0.00 179.45 179.50 1ryu h GLN 96 N 0.36 0.55 -0.54 1.90 1.08 -1.10 0.24 115.11 117.59 1ryu h GLN 96 Ca 0.06 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1ryu h GLN 96 Cb 0.51 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1ryu h GLN 96 CO 0.03 0.87 0.33 -0.92 -0.95 0.00 0.00 178.83 178.19 1ryu h TYR 97 N 0.24 0.72 -0.09 2.96 3.20 -0.33 0.46 116.97 124.13 1ryu h TYR 97 Ca 0.04 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1ryu h TYR 97 Cb 0.77 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1ryu h TYR 97 CO 0.08 0.49 -0.06 -0.84 -1.64 0.00 0.00 178.16 176.19 1ryu h ILE 98 N 0.73 1.34 0.00 1.81 3.07 -1.21 0.68 117.51 123.92 1ryu h ILE 98 Ca 0.19 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.48 1ryu h ILE 98 Cb -0.01 1.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 1ryu h ILE 98 CO -0.04 0.32 0.00 1.56 -1.05 0.00 0.00 178.15 178.94 1ryu h GLN 99 N -0.18 0.00 0.00 0.16 1.08 -0.70 0.38 115.11 115.85 1ryu h GLN 99 Ca 0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.04 1ryu h GLN 99 Cb 0.53 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 1ryu h GLN 99 CO 0.02 0.00 -2.11 0.00 -0.95 0.00 0.00 178.83 175.79 1ryu n LEU 101 N -2.46 0.71 0.18 0.00 4.32 0.23 -4.52 117.00 115.46 1ryu n LEU 101 Ca -0.18 -0.71 -0.12 0.00 -0.02 0.00 0.00 56.01 54.98 1ryu n LEU 101 Cb 0.84 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.56 1ryu n LEU 101 CO 0.41 0.18 0.45 0.22 -1.22 0.00 0.00 177.39 177.42 1ryu h TYR 102 N 0.00 -0.45 0.03 -1.77 5.03 -0.39 0.20 116.97 119.62 1ryu h TYR 102 Ca 0.00 -0.01 -0.21 0.00 2.58 0.00 0.00 58.73 61.09 1ryu h TYR 102 Cb 0.50 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 1ryu h TYR 102 CO 0.00 -0.12 -0.96 0.00 -1.32 0.00 0.00 178.16 175.75 1ryu h ALA 103 N -0.53 0.41 -0.10 1.82 0.00 -1.89 -3.07 119.26 115.91 1ryu h ALA 103 Ca -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 1ryu h ALA 103 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ryu h ALA 103 CO 0.08 0.97 0.00 0.35 0.00 0.00 0.00 179.25 180.65 1ryu h PHE 104 N 0.09 0.13 -0.28 0.00 3.57 -1.79 -0.49 116.94 118.16 1ryu h PHE 104 Ca -0.06 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1ryu h PHE 104 Cb 1.63 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.31 1ryu h PHE 104 CO 0.03 0.14 0.15 1.49 -2.23 0.00 0.00 178.31 177.89 1ryu h GLU 105 N 0.13 0.30 -0.19 1.11 4.22 -0.48 0.93 114.58 120.60 1ryu h GLU 105 Ca 0.03 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.35 1ryu h GLU 105 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ryu h GLU 105 CO 0.00 0.20 -0.36 0.00 -2.18 0.00 0.00 179.01 176.67 1ryu h LYS 107 N 0.35 0.11 0.03 0.00 3.64 -0.29 0.11 116.57 120.53 1ryu h LYS 107 Ca 0.04 -0.11 -0.36 0.00 -1.27 0.00 0.00 60.65 58.95 1ryu h LYS 107 Cb 0.79 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 1ryu h LYS 107 CO 0.06 0.84 -2.06 1.51 -2.27 0.00 0.00 179.45 177.53 1ryu n ILE 108 N -3.68 1.59 -0.12 2.00 0.13 0.32 -4.03 119.36 115.57 1ryu n ILE 108 Ca -0.02 -0.41 -0.20 0.00 -1.10 0.00 0.00 62.75 61.02 1ryu n ILE 108 Cb 0.75 -1.78 -0.10 0.00 -0.84 0.00 0.00 39.64 37.67 1ryu n ILE 108 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 1ryu n GLU 109 N -3.87 0.58 0.00 9.51 0.28 -0.71 -4.82 120.64 121.62 1ryu n GLU 109 Ca -0.41 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 1ryu n GLU 109 Cb 0.90 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 32.31 1ryu n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1ryu n ARG 110 N -3.53 2.63 0.27 3.44 0.63 -1.15 -4.66 116.66 114.29 1ryu n ARG 110 Ca -0.45 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 56.61 1ryu n ARG 110 Cb 0.92 0.00 0.63 0.00 0.45 0.00 0.00 32.46 34.46 1ryu n ARG 110 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1ryu h GLY 111 N 0.00 0.00 0.00 5.14 0.00 -1.92 -3.45 103.07 102.84 1ryu h GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ryu h GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1ryu n GLU 112 N -2.96 0.00 0.00 4.80 1.02 0.37 -4.10 120.64 119.78 1ryu n GLU 112 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1ryu n GLU 112 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1ryu n GLU 112 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ryu n ASP 113 N 3.58 0.00 -0.33 1.62 -0.08 -1.26 -3.99 116.55 116.09 1ryu n ASP 113 Ca 0.00 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.43 1ryu n ASP 113 Cb 0.00 0.26 0.30 0.00 2.34 0.00 0.00 41.12 44.02 1ryu n ASP 113 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ryu h PRO 114 N 0.00 0.03 -6.61 -0.67 0.11 -1.96 -3.42 132.00 119.47 1ryu h PRO 114 Ca 0.00 -0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.59 1ryu h PRO 114 Cb 0.00 -0.01 0.23 0.00 0.11 0.00 0.00 31.00 31.33 1ryu h PRO 114 CO 0.00 0.02 -0.98 -2.30 -0.21 0.00 0.00 178.00 174.53 1ryu n PRO 115 N -5.45 -0.55 0.00 1.05 -0.02 -1.26 -5.00 135.00 123.77 1ryu n PRO 115 Ca 0.23 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1ryu n PRO 115 Cb 0.76 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.01 0.00 -0.00 0.52 -0.04 -1.26 -4.98 135.00 128.23 1ryu n PRO 116 Ca 0.04 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ryu n PRO 116 Cb 0.57 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 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 -1.37 0.00 -4.58 3.54 2.03 -1.26 -5.15 116.55 109.77 1ryu n ASP 117 Ca 0.00 -0.19 -0.32 0.00 0.52 0.00 0.00 54.79 54.81 1ryu n ASP 117 Cb 0.00 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.00 0.00 -0.91 5.18 3.06 -1.26 -4.93 119.36 120.51 1ryu n ILE 118 Ca 0.00 -0.07 -0.34 0.00 -2.50 0.00 0.00 62.75 59.84 1ryu n ILE 118 Cb 0.09 -0.87 0.11 0.00 0.54 0.00 0.00 39.64 39.52 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 -4.05 -1.01 1.46 9.51 3.01 -1.26 -5.19 117.46 119.93 1ryu n PHE 119 Ca 0.10 0.28 0.12 0.00 1.01 0.00 0.00 57.45 58.95 1ryu n PHE 119 Cb 0.53 -1.84 0.69 0.00 -0.01 0.00 0.00 39.48 38.85 1ryu n PHE 119 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77