#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 -3.59 4.04 7.64 -1.26 -4.76 113.62 115.68 1ryu n SER 2 Ca 0.00 -1.50 -0.14 0.00 1.01 0.00 0.00 58.87 58.24 1ryu n SER 2 Cb 0.00 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 1ryu n SER 2 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ryu n THR 3 N 0.00 0.00 -3.72 0.44 -2.24 -1.26 -4.90 114.28 102.60 1ryu n THR 3 Ca 0.00 -1.20 -0.37 0.00 -2.27 0.00 0.00 64.05 60.21 1ryu n THR 3 Cb 0.60 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.44 5.32 0.61 4.28 -4.23 -1.26 -1.83 115.64 117.09 1ryu s THR 4 Ca 0.20 0.45 -0.19 0.00 -1.18 0.00 0.00 61.69 60.98 1ryu s THR 4 Cb -0.02 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 1ryu s THR 4 CO 0.13 0.58 1.09 0.41 -0.54 0.00 0.00 174.62 176.29 1ryu n THR 5 N 2.12 4.04 0.61 3.99 -1.04 -1.25 -4.82 114.28 117.93 1ryu n THR 5 Ca -0.17 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 61.37 1ryu n THR 5 Cb 0.54 -1.29 0.21 0.00 -1.82 0.00 0.00 70.33 67.97 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 -1.07 0.00 -4.48 8.00 3.02 -1.26 -4.51 115.26 114.95 1ryu n ASN 6 Ca 0.14 -0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 53.87 1ryu n ASN 6 Cb 0.47 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.55 1ryu n ASN 6 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ryu s GLU 7 N -2.00 3.10 -0.05 3.52 8.01 -1.26 -4.91 118.70 125.11 1ryu s GLU 7 Ca 0.11 -0.74 -0.24 0.00 0.01 0.00 0.00 54.97 54.11 1ryu s GLU 7 Cb 0.05 -3.97 -0.25 0.00 -4.31 0.00 0.00 34.13 25.65 1ryu s GLU 7 CO 0.08 -0.87 1.00 -0.22 0.01 0.00 0.00 175.26 175.27 1ryu h LYS 8 N 8.74 0.22 0.00 1.61 1.63 -1.83 -3.43 116.57 123.51 1ryu h LYS 8 Ca -0.26 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1ryu h LYS 8 Cb 1.11 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1ryu h LYS 8 CO 0.80 1.00 0.00 0.44 -3.45 0.00 0.00 179.45 178.24 1ryu n ILE 9 N -4.42 0.00 -0.75 2.00 -0.00 -1.26 -4.70 119.36 110.24 1ryu n ILE 9 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 1ryu n ILE 9 Cb 0.57 -1.90 0.00 0.00 -0.00 0.00 0.00 39.64 38.31 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 -1.39 0.00 0.18 7.28 5.66 -1.26 -4.72 114.28 120.03 1ryu n THR 10 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 1ryu n THR 10 Cb 0.00 0.06 0.60 0.00 -1.55 0.00 0.00 70.33 69.44 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 0.10 -0.22 1.09 3.11 -1.89 0.44 116.57 119.20 1ryu h LYS 11 Ca 0.00 -0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1ryu h LYS 11 Cb 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1ryu h LYS 11 CO 0.00 0.07 -0.29 -0.07 -2.81 0.00 0.00 179.45 176.35 1ryu h LEU 12 N 0.11 0.44 -2.00 5.20 4.07 -1.97 -2.83 115.31 118.32 1ryu h LEU 12 Ca 0.06 -0.16 0.13 0.00 0.08 0.00 0.00 57.88 57.99 1ryu h LEU 12 Cb 0.10 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1ryu h LEU 12 CO -0.01 0.72 0.43 0.22 -1.08 0.00 0.00 178.44 178.72 1ryu h TYR 13 N 0.38 0.00 0.00 1.13 3.20 -0.43 -3.29 116.97 117.95 1ryu h TYR 13 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ryu h TYR 13 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1ryu h TYR 13 CO 0.02 0.00 0.00 -0.85 -1.64 0.00 0.00 178.16 175.69 1ryu n GLU 14 N -3.86 0.00 -1.48 1.82 0.28 -1.09 -4.95 120.64 111.36 1ryu n GLU 14 Ca 0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.91 1ryu n GLU 14 Cb 0.62 -0.30 -0.07 0.00 1.43 0.00 0.00 31.44 33.12 1ryu n GLU 14 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1ryu n LEU 15 N -2.12 -1.18 -3.32 -1.84 4.77 -1.10 -4.88 117.00 107.34 1ryu n LEU 15 Ca 0.00 0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 1ryu n LEU 15 Cb 0.00 -2.51 -0.06 0.00 -2.33 0.00 0.00 43.42 38.52 1ryu n LEU 15 CO 0.00 -0.93 -0.08 -0.83 -1.33 0.00 0.00 177.39 174.21 1ryu s GLY 16 N -2.47 -0.40 0.00 -0.72 0.00 -1.26 -5.13 107.32 97.34 1ryu s GLY 16 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1ryu s GLY 16 CO 0.00 3.01 0.00 0.61 0.00 0.00 0.00 173.10 176.72 1ryu n GLY 17 N 4.40 -0.88 3.29 0.20 0.00 -1.26 -4.99 105.19 105.94 1ryu n GLY 17 Ca 0.10 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.36 -1.48 -0.10 1.61 -0.58 -1.26 -4.80 120.64 113.67 1ryu n GLU 18 Ca 0.00 1.16 -0.14 0.00 -0.42 0.00 0.00 57.16 57.76 1ryu n GLU 18 Cb 0.00 -5.00 -0.03 0.00 -0.57 0.00 0.00 31.44 25.84 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 -0.18 0.91 -0.46 3.49 0.13 -1.98 -0.15 132.00 133.76 1ryu h PRO 19 Ca -0.28 -0.52 -0.11 0.00 -0.87 0.00 0.00 66.00 64.23 1ryu h PRO 19 Cb 1.16 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1ryu h PRO 19 CO 0.35 1.16 -0.14 0.93 -0.23 0.00 0.00 178.00 180.08 1ryu h GLU 20 N 0.72 0.90 -0.26 0.86 4.39 -1.99 0.06 114.58 119.26 1ryu h GLU 20 Ca 0.04 -0.36 -0.15 0.00 0.34 0.00 0.00 59.36 59.23 1ryu h GLU 20 Cb 1.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1ryu h GLU 20 CO 0.10 1.01 -0.46 0.00 -1.16 0.00 0.00 179.01 178.50 1ryu h ARG 21 N 0.74 0.69 -0.14 2.33 -0.00 -1.92 -0.49 114.38 115.59 1ryu h ARG 21 Ca 0.11 -0.39 -0.14 0.00 -0.50 0.00 0.00 59.98 59.07 1ryu h ARG 21 Cb 0.69 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.68 1ryu h ARG 21 CO 0.05 1.00 -0.51 1.57 0.00 0.00 0.00 179.97 182.09 1ryu h LYS 22 N 0.55 0.38 -0.09 0.04 2.10 -0.92 0.12 116.57 118.76 1ryu h LYS 22 Ca 0.03 -0.22 -0.02 0.00 -2.00 0.00 0.00 60.65 58.44 1ryu h LYS 22 Cb 1.01 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1ryu h LYS 22 CO 0.10 0.80 -0.04 1.98 -2.00 0.00 0.00 179.45 180.29 1ryu h MET 23 N 0.30 0.18 -0.66 0.07 4.05 -0.82 -0.60 114.93 117.46 1ryu h MET 23 Ca 0.01 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1ryu h MET 23 Cb 1.00 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.76 1ryu h MET 23 CO 0.09 0.54 0.42 -1.49 0.23 0.00 0.00 176.91 176.70 1ryu h TRP 24 N -0.18 0.84 -0.90 1.39 6.55 -1.02 0.70 115.95 123.34 1ryu h TRP 24 Ca 0.02 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.86 1ryu h TRP 24 Cb 0.49 -0.28 -0.04 0.00 -0.86 0.00 0.00 29.16 28.46 1ryu h TRP 24 CO 0.07 0.55 0.50 -0.24 -1.05 0.00 0.00 178.44 178.26 1ryu h VAL 25 N 0.89 1.26 -0.25 1.49 3.04 -0.91 -0.37 116.25 121.40 1ryu h VAL 25 Ca 0.24 -0.63 -0.05 0.00 -1.01 0.00 0.00 66.70 65.25 1ryu h VAL 25 Cb -0.07 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.23 1ryu h VAL 25 CO -0.05 0.29 -0.09 -0.78 -1.01 0.00 0.00 177.57 175.93 1ryu h ASP 26 N 1.25 0.37 -0.69 3.17 1.82 -0.20 -0.77 116.42 121.37 1ryu h ASP 26 Ca 0.32 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 1ryu h ASP 26 Cb 0.02 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 1ryu h ASP 26 CO -0.05 0.50 0.37 0.03 -1.61 0.00 0.00 179.24 178.48 1ryu h ARG 27 N 0.37 0.97 -0.97 0.28 2.47 0.68 -0.63 114.38 117.56 1ryu h ARG 27 Ca 0.08 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1ryu h ARG 27 Cb 0.39 -0.19 -0.05 0.00 -1.65 0.00 0.00 29.97 28.47 1ryu h ARG 27 CO 0.02 0.73 0.62 -0.92 0.56 0.00 0.00 179.97 180.99 1ryu h TYR 28 N 0.95 1.24 -0.26 3.04 3.20 -0.10 0.16 116.97 125.20 1ryu h TYR 28 Ca 0.24 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.15 1ryu h TYR 28 Cb 0.05 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 1ryu h TYR 28 CO -0.00 0.80 0.13 -0.07 -1.64 0.00 0.00 178.16 177.38 1ryu h LEU 29 N 1.33 0.20 -1.31 2.82 4.07 -0.12 0.22 115.31 122.51 1ryu h LEU 29 Ca 0.35 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.26 1ryu h LEU 29 Cb -0.12 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1ryu h LEU 29 CO -0.07 0.15 -0.19 0.00 -1.08 0.00 0.00 178.44 177.25 1ryu h ALA 30 N 1.13 1.43 -0.30 1.53 0.00 -0.54 -1.72 119.26 120.79 1ryu h ALA 30 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ryu h ALA 30 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ryu h ALA 30 CO -0.07 0.40 0.07 0.35 0.00 0.00 0.00 179.25 180.00 1ryu h PHE 31 N 0.22 0.50 -0.50 0.00 3.57 0.25 0.22 116.94 121.20 1ryu h PHE 31 Ca 0.04 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1ryu h PHE 31 Cb 0.46 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1ryu h PHE 31 CO 0.01 0.54 0.16 1.79 -2.23 0.00 0.00 178.31 178.57 1ryu h THR 32 N 0.32 1.23 -0.03 4.41 1.35 -0.63 -1.98 112.91 117.57 1ryu h THR 32 Ca 0.09 -0.76 -0.06 0.00 -0.55 0.00 0.00 66.41 65.13 1ryu h THR 32 Cb 0.29 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1ryu h THR 32 CO 0.00 0.28 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.96 1ryu h GLU 33 N 0.67 0.05 -0.82 4.72 5.08 -1.18 -2.88 114.58 120.22 1ryu h GLU 33 Ca 0.16 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1ryu h GLU 33 Cb 0.27 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1ryu h GLU 33 CO -0.01 0.31 0.53 1.49 -1.00 0.00 0.00 179.01 180.33 1ryu h GLU 34 N 0.04 1.03 0.00 2.33 4.81 0.21 -1.15 114.58 121.85 1ryu h GLU 34 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ryu h GLU 34 Cb 0.49 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ryu h GLU 34 CO 0.03 0.68 0.00 1.63 -0.73 0.00 0.00 179.01 180.63 1ryu n LYS 35 N -4.55 0.94 -1.32 1.92 4.01 -1.11 -4.80 118.16 113.26 1ryu n LYS 35 Ca 0.09 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.78 1ryu n LYS 35 Cb 0.06 -1.04 -0.05 0.00 -0.51 0.00 0.00 35.03 33.49 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 -0.54 -0.17 0.22 7.82 0.00 -0.43 -4.79 120.51 122.61 1ryu n ALA 36 Ca 0.02 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.78 1ryu n ALA 36 Cb 0.01 -1.68 0.74 0.00 0.00 0.00 0.00 19.45 18.52 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 0.04 0.00 0.00 0.00 -1.53 -1.70 -3.47 114.93 108.27 1ryu h MET 37 Ca -0.22 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.04 1ryu h MET 37 Cb 1.10 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.15 1ryu h MET 37 CO 0.33 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.79 1ryu n GLY 38 N -1.23 1.93 1.41 1.39 0.00 -1.26 -4.64 105.19 102.79 1ryu n GLY 38 Ca -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1ryu n GLY 38 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ryu n MET 39 N 1.81 0.93 -3.15 1.61 0.00 -1.26 -4.57 117.12 112.49 1ryu n MET 39 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 1ryu n MET 39 Cb 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 33.22 32.23 1ryu n MET 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1ryu s THR 40 N 0.12 2.17 -0.13 3.17 2.01 -1.26 -4.80 115.64 116.91 1ryu s THR 40 Ca 0.00 -1.07 -0.15 0.00 0.31 0.00 0.00 61.69 60.79 1ryu s THR 40 Cb 0.00 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1ryu s THR 40 CO 0.00 0.00 0.34 0.54 -0.69 0.00 0.00 174.62 174.81 1ryu s ASN 41 N -4.58 6.52 0.12 3.53 2.20 -1.26 -4.66 114.94 116.82 1ryu s ASN 41 Ca 0.57 0.61 0.00 0.00 -0.94 0.00 0.00 52.86 53.11 1ryu s ASN 41 Cb -0.06 -2.21 0.00 0.00 -2.00 0.00 0.00 41.25 36.99 1ryu s ASN 41 CO 0.36 0.11 0.00 -0.11 -2.94 0.00 0.00 177.10 174.52 1ryu n LEU 42 N 3.37 0.15 -1.15 3.54 0.00 -1.26 -4.83 117.00 116.81 1ryu n LEU 42 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 56.01 56.10 1ryu n LEU 42 Cb 0.52 0.09 0.00 0.00 0.00 0.00 0.00 43.42 44.02 1ryu n LEU 42 CO 0.40 -0.57 0.49 -0.81 0.00 0.00 0.00 177.39 176.89 1ryu n PRO 43 N -3.12 0.78 -4.35 1.96 -0.04 -1.26 -4.82 135.00 124.15 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 0.08 -1.11 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.28 3.24 0.14 0.55 0.00 -1.26 -3.80 121.76 120.90 1ryu s ALA 44 Ca 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.10 1ryu s ALA 44 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1ryu s ALA 44 CO 0.00 0.63 0.01 0.14 0.00 0.00 0.00 175.76 176.54 1ryu s VAL 45 N -1.01 3.89 0.02 0.00 -7.23 0.25 -4.08 120.40 112.23 1ryu s VAL 45 Ca 0.17 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 1ryu s VAL 45 Cb -0.11 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.89 1ryu s VAL 45 CO 0.08 -0.03 0.32 0.61 -0.31 0.00 0.00 175.10 175.77 1ryu n GLY 46 N 0.09 -0.79 0.00 2.32 0.00 -0.76 -3.79 105.19 102.26 1ryu n GLY 46 Ca -0.10 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.00 0.00 -1.15 1.61 1.74 -1.26 -4.56 116.66 110.04 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 0.02 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.57 1ryu n ARG 47 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ryu s LYS 48 N 0.00 1.97 0.00 5.56 3.01 -1.25 -4.77 119.74 124.26 1ryu s LYS 48 Ca 0.00 1.23 0.00 0.00 -1.01 0.00 0.00 55.97 56.19 1ryu s LYS 48 Cb 0.00 -1.86 0.00 0.00 -1.01 0.00 0.00 37.83 34.96 1ryu s LYS 48 CO 0.00 -1.87 0.00 -2.30 0.51 0.00 0.00 175.35 171.69 1ryu n PRO 49 N -3.68 0.00 -0.11 -1.68 -0.02 -1.26 -3.01 135.00 125.24 1ryu n PRO 49 Ca 0.09 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.35 1ryu n PRO 49 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.90 1ryu n PRO 49 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ryu n LEU 50 N 0.00 1.88 -3.43 2.45 4.32 -1.25 -0.58 117.00 120.38 1ryu n LEU 50 Ca 0.00 0.41 -0.21 0.00 -0.02 0.00 0.00 56.01 56.19 1ryu n LEU 50 Cb 0.00 -0.93 0.08 0.00 -1.62 0.00 0.00 43.42 40.95 1ryu n LEU 50 CO 0.00 0.29 0.21 0.47 -1.22 0.00 0.00 177.39 177.14 1ryu n ASP 51 N -4.40 -5.24 -0.08 -1.43 9.92 -1.26 -4.85 116.55 109.21 1ryu n ASP 51 Ca -0.35 -0.53 -0.09 0.00 -0.53 0.00 0.00 54.79 53.28 1ryu n ASP 51 Cb 0.70 -4.86 -0.02 0.00 -0.64 0.00 0.00 41.12 36.29 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 -2.42 0.33 -0.34 0.64 6.46 -1.94 -0.39 115.31 117.65 1ryu h LEU 52 Ca -0.55 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.16 1ryu h LEU 52 Cb 1.35 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.18 1ryu h LEU 52 CO 0.52 0.28 0.20 0.22 -0.62 0.00 0.00 178.44 179.04 1ryu h TYR 53 N 0.36 0.47 -0.07 1.25 3.20 -1.92 0.87 116.97 121.12 1ryu h TYR 53 Ca 0.10 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1ryu h TYR 53 Cb 0.01 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1ryu h TYR 53 CO -0.04 0.36 -0.16 0.00 -1.64 0.00 0.00 178.16 176.68 1ryu h ARG 54 N 0.44 0.10 -0.10 1.82 3.08 -1.94 -0.12 114.38 117.66 1ryu h ARG 54 Ca 0.12 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 1ryu h ARG 54 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ryu h ARG 54 CO -0.02 0.27 -0.47 1.25 -1.07 0.00 0.00 179.97 179.92 1ryu h LEU 55 N 0.10 0.28 0.06 3.04 5.85 0.50 0.44 115.31 125.58 1ryu h LEU 55 Ca 0.02 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ryu h LEU 55 Cb 0.34 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ryu h LEU 55 CO 0.02 0.72 -0.03 0.22 -0.34 0.00 0.00 178.44 179.03 1ryu h TYR 56 N 0.21 -0.07 -0.12 1.25 5.03 0.25 0.21 116.97 123.73 1ryu h TYR 56 Ca 0.01 -0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.21 1ryu h TYR 56 Cb 0.92 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 1ryu h TYR 56 CO 0.02 0.38 -0.40 -0.39 -1.32 0.00 0.00 178.16 176.45 1ryu h VAL 57 N -0.55 1.31 -0.23 1.81 -1.51 -1.27 -0.88 116.25 114.93 1ryu h VAL 57 Ca -0.01 -1.50 -0.20 0.00 -1.23 0.00 0.00 66.70 63.76 1ryu h VAL 57 Cb 0.48 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1ryu h VAL 57 CO 0.01 0.45 -0.65 0.28 -1.23 0.00 0.00 177.57 176.43 1ryu h SER 58 N 0.22 0.96 0.17 4.19 0.02 -0.87 -1.31 113.55 116.92 1ryu h SER 58 Ca 0.02 -0.57 -0.12 0.00 -0.84 0.00 0.00 61.79 60.28 1ryu h SER 58 Cb 0.81 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1ryu h SER 58 CO 0.06 1.37 -0.45 1.62 -1.14 0.00 0.00 176.83 178.29 1ryu h VAL 59 N 0.61 1.32 0.24 2.27 3.04 -0.41 0.37 116.25 123.70 1ryu h VAL 59 Ca -0.02 -1.62 -0.01 0.00 -1.01 0.00 0.00 66.70 64.04 1ryu h VAL 59 Cb 1.27 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1ryu h VAL 59 CO 0.14 0.49 -0.12 0.11 -1.01 0.00 0.00 177.57 177.19 1ryu h LYS 60 N 0.28 -0.31 -0.07 4.17 1.57 -1.05 -2.75 116.57 118.42 1ryu h LYS 60 Ca 0.02 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1ryu h LYS 60 Cb 0.90 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1ryu h LYS 60 CO 0.07 -0.14 -0.33 1.05 -0.57 0.00 0.00 179.45 179.54 1ryu h GLU 61 N -0.42 0.13 -0.98 3.15 4.11 -1.11 -3.07 114.58 116.39 1ryu h GLU 61 Ca -0.03 -0.05 0.13 0.00 0.07 0.00 0.00 59.36 59.48 1ryu h GLU 61 Cb 0.32 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1ryu h GLU 61 CO 0.05 0.45 0.60 0.82 0.07 0.00 0.00 179.01 181.01 1ryu h ILE 62 N 0.11 0.87 0.00 -1.06 2.04 0.02 -3.45 117.51 116.05 1ryu h ILE 62 Ca 0.01 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1ryu h ILE 62 Cb 0.65 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1ryu h ILE 62 CO 0.05 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.98 1ryu n GLY 63 N -1.34 -0.36 0.00 5.37 0.00 -1.13 -4.88 105.19 102.85 1ryu n GLY 63 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 2.44 0.18 -0.02 0.00 -1.06 -4.48 105.19 102.24 1ryu n GLY 64 Ca 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 1ryu n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ryu h LEU 65 N 0.00 -0.35 -1.87 0.99 -0.00 -1.97 -1.60 115.31 110.51 1ryu h LEU 65 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1ryu h LEU 65 Cb 0.00 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1ryu h LEU 65 CO 0.00 -0.21 -0.09 0.71 -0.00 0.00 0.00 178.44 178.85 1ryu h THR 66 N -0.30 1.00 -0.42 0.22 1.35 -1.99 -2.24 112.91 110.51 1ryu h THR 66 Ca -0.00 -0.31 -0.11 0.00 -0.55 0.00 0.00 66.41 65.43 1ryu h THR 66 Cb 0.28 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1ryu h THR 66 CO -0.02 0.09 -0.18 -0.61 -0.25 0.00 0.00 175.52 174.55 1ryu h GLN 67 N 0.00 0.87 -0.11 4.72 5.75 -1.60 -2.85 115.11 121.90 1ryu h GLN 67 Ca -0.00 -0.37 -0.03 0.00 -0.15 0.00 0.00 58.65 58.10 1ryu h GLN 67 Cb 0.17 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1ryu h GLN 67 CO 0.01 1.01 -0.08 0.28 -2.65 0.00 0.00 178.83 177.40 1ryu h VAL 68 N 0.70 1.12 0.00 2.39 2.07 -0.71 0.14 116.25 121.96 1ryu h VAL 68 Ca 0.10 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1ryu h VAL 68 Cb 0.74 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1ryu h VAL 68 CO 0.06 0.17 -0.51 -1.13 0.02 0.00 0.00 177.57 176.17 1ryu h ASN 69 N 0.15 0.00 0.00 0.57 -0.73 -1.29 -3.34 115.58 110.94 1ryu h ASN 69 Ca 0.03 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1ryu h ASN 69 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1ryu h ASN 69 CO 0.01 0.51 0.00 2.29 -0.37 0.00 0.00 177.43 179.87 1ryu n LYS 70 N -3.84 -0.20 -0.67 6.67 2.85 -1.08 -4.74 118.16 117.15 1ryu n LYS 70 Ca -0.01 -0.41 0.09 0.00 -1.05 0.00 0.00 58.31 56.92 1ryu n LYS 70 Cb 0.54 -0.79 0.36 0.00 -0.65 0.00 0.00 35.03 34.49 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 -0.05 4.92 -1.75 -5.58 2.85 0.45 -4.91 115.26 111.20 1ryu n ASN 71 Ca 0.00 -2.61 -0.17 0.00 -0.11 0.00 0.00 54.58 51.69 1ryu n ASN 71 Cb 0.15 -0.60 -0.05 0.00 1.24 0.00 0.00 39.78 40.52 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 0.84 -1.53 0.21 1.20 5.02 -1.26 -4.80 118.16 117.84 1ryu n LYS 72 Ca 0.26 0.95 0.05 0.00 -2.02 0.00 0.00 58.31 57.55 1ryu n LYS 72 Cb 0.96 -5.35 0.46 0.00 -0.02 0.00 0.00 35.03 31.09 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 0.00 0.00 -0.87 1.97 1.79 -1.82 -2.85 116.57 114.79 1ryu h LYS 73 Ca -0.36 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.34 1ryu h LYS 73 Cb 1.15 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.67 1ryu h LYS 73 CO 0.50 0.28 0.25 0.11 -1.08 0.00 0.00 179.45 179.51 1ryu h TRP 74 N 0.00 0.38 -0.25 -1.35 5.08 -1.87 1.37 115.95 119.31 1ryu h TRP 74 Ca -0.00 0.05 -0.09 0.00 1.08 0.00 0.00 58.89 59.93 1ryu h TRP 74 Cb 0.54 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 1ryu h TRP 74 CO 0.00 -0.18 -0.22 -0.09 -1.28 0.00 0.00 178.44 176.66 1ryu h ARG 75 N 0.23 0.45 -0.13 0.12 2.43 -1.78 -0.97 114.38 114.74 1ryu h ARG 75 Ca 0.54 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 1ryu h ARG 75 Cb 1.08 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1ryu h ARG 75 CO -0.63 0.65 -0.05 0.93 -1.51 0.00 0.00 179.97 179.36 1ryu h GLU 76 N 0.41 0.26 -0.19 0.20 4.39 0.15 -0.98 114.58 118.81 1ryu h GLU 76 Ca 0.06 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1ryu h GLU 76 Cb 0.62 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1ryu h GLU 76 CO 0.04 0.58 -0.19 1.37 -1.16 0.00 0.00 179.01 179.65 1ryu h LEU 77 N -0.08 0.32 -0.55 1.33 -0.00 -0.28 0.55 115.31 116.60 1ryu h LEU 77 Ca 0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 1ryu h LEU 77 Cb 0.50 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.05 1ryu h LEU 77 CO 0.02 0.53 0.28 0.00 -0.00 0.00 0.00 178.44 179.27 1ryu h ALA 78 N 1.50 0.71 -0.08 0.17 0.00 -1.01 -1.15 119.26 119.40 1ryu h ALA 78 Ca 0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1ryu h ALA 78 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ryu h ALA 78 CO 0.03 0.25 -0.74 1.15 0.00 0.00 0.00 179.25 179.95 1ryu h THR 79 N 0.74 1.37 -0.73 0.00 2.02 -0.57 0.39 112.91 116.13 1ryu h THR 79 Ca 0.19 -2.14 -0.00 0.00 0.77 0.00 0.00 66.41 65.23 1ryu h THR 79 Cb 0.09 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 1ryu h THR 79 CO -0.03 0.65 0.44 0.78 0.37 0.00 0.00 175.52 177.73 1ryu h ASN 80 N 0.29 0.88 -0.49 4.18 -0.26 0.44 -1.49 115.58 119.13 1ryu h ASN 80 Ca -0.03 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1ryu h ASN 80 Cb 1.32 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 1ryu h ASN 80 CO 0.13 0.68 0.00 0.18 -1.06 0.00 0.00 177.43 177.36 1ryu n LEU 81 N -4.52 3.37 -3.33 1.61 4.77 -0.47 -4.97 117.00 113.45 1ryu n LEU 81 Ca 0.06 -1.69 -0.26 0.00 -0.03 0.00 0.00 56.01 54.09 1ryu n LEU 81 Cb 0.06 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1ryu n LEU 81 CO 0.37 0.64 -0.14 -3.20 -1.33 0.00 0.00 177.39 173.73 1ryu n ASN 82 N 0.84 -6.25 -0.01 -1.43 2.85 -0.56 -4.63 115.26 106.07 1ryu n ASN 82 Ca 0.18 -0.07 0.02 0.00 -0.11 0.00 0.00 54.58 54.61 1ryu n ASN 82 Cb 0.61 -2.93 -0.05 0.00 1.24 0.00 0.00 39.78 38.65 1ryu n ASN 82 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1ryu n VAL 83 N -0.64 0.08 0.00 3.44 0.24 0.10 -4.57 118.33 116.98 1ryu n VAL 83 Ca -0.05 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1ryu n VAL 83 Cb 0.61 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 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 2.27 1.13 2.95 7.63 0.00 -1.26 -4.62 105.19 113.29 1ryu n GLY 84 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.49 2.61 -2.24 -1.26 -4.95 114.28 106.95 1ryu n THR 85 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1ryu n THR 85 Cb 0.00 -0.94 0.22 0.00 -2.10 0.00 0.00 70.33 67.51 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 -0.94 -0.92 -0.10 3.42 3.41 -1.26 -4.88 113.62 112.35 1ryu n SER 86 Ca 0.00 -1.32 -0.12 0.00 -0.26 0.00 0.00 58.87 57.17 1ryu n SER 86 Cb 0.47 -0.98 -0.04 0.00 -0.26 0.00 0.00 64.21 63.40 1ryu n SER 86 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ryu h SER 87 N -2.16 0.62 1.18 4.04 0.02 -2.02 -2.95 113.55 112.29 1ryu h SER 87 Ca -0.41 -0.40 -0.10 0.00 -0.84 0.00 0.00 61.79 60.04 1ryu h SER 87 Cb 1.18 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1ryu h SER 87 CO 0.28 0.89 -0.47 0.77 -1.14 0.00 0.00 176.83 177.16 1ryu h SER 88 N 0.36 0.00 -0.29 3.07 4.64 -1.98 -3.19 113.55 116.16 1ryu h SER 88 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1ryu h SER 88 Cb 0.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1ryu h SER 88 CO 0.04 0.47 0.00 0.00 -0.87 0.00 0.00 176.83 176.47 1ryu h ALA 89 N 1.53 1.27 -0.20 5.18 0.00 -1.85 -0.64 119.26 124.55 1ryu h ALA 89 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ryu h ALA 89 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ryu h ALA 89 CO 0.06 0.49 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 1ryu h ALA 90 N 1.41 0.27 -0.57 0.00 0.00 -1.50 0.12 119.26 118.99 1ryu h ALA 90 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1ryu h ALA 90 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ryu h ALA 90 CO 0.01 0.03 0.15 0.77 0.00 0.00 0.00 179.25 180.22 1ryu h SER 91 N 0.10 0.85 -0.51 0.00 0.02 -1.58 0.22 113.55 112.65 1ryu h SER 91 Ca 0.05 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1ryu h SER 91 Cb 0.47 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1ryu h SER 91 CO 0.02 0.85 0.01 -1.28 -1.14 0.00 0.00 176.83 175.29 1ryu h SER 92 N 0.81 0.88 0.95 3.07 0.87 -1.07 -1.54 113.55 117.52 1ryu h SER 92 Ca 0.18 -0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 1ryu h SER 92 Cb 0.32 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1ryu h SER 92 CO -0.00 0.97 -0.17 -0.07 -0.53 0.00 0.00 176.83 177.03 1ryu h LEU 93 N 0.77 0.00 0.05 2.23 -0.00 -0.51 -0.21 115.31 117.64 1ryu h LEU 93 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1ryu h LEU 93 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1ryu h LEU 93 CO 0.02 0.17 -0.03 0.50 -0.00 0.00 0.00 178.44 179.11 1ryu h LYS 94 N 0.00 -0.07 -0.25 1.13 3.11 0.03 0.22 116.57 120.74 1ryu h LYS 94 Ca -0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1ryu h LYS 94 Cb 0.69 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 1ryu h LYS 94 CO 0.02 0.37 -0.16 -0.22 -2.81 0.00 0.00 179.45 176.65 1ryu h LYS 95 N -0.53 0.44 -0.23 1.90 1.63 -1.13 -0.93 116.57 117.72 1ryu h LYS 95 Ca -0.01 -0.13 -0.13 0.00 -0.85 0.00 0.00 60.65 59.53 1ryu h LYS 95 Cb 0.47 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1ryu h LYS 95 CO 0.01 0.60 -0.38 1.96 -3.45 0.00 0.00 179.45 178.19 1ryu h GLN 96 N 0.40 0.66 -0.57 1.90 1.08 -1.00 0.00 115.11 117.58 1ryu h GLN 96 Ca 0.07 -0.41 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 1ryu h GLN 96 Cb 0.52 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 1ryu h GLN 96 CO 0.03 1.02 0.30 -0.92 -0.95 0.00 0.00 178.83 178.32 1ryu h TYR 97 N 0.36 0.79 -0.12 2.96 3.20 -0.25 0.23 116.97 124.14 1ryu h TYR 97 Ca 0.02 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1ryu h TYR 97 Cb 0.98 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1ryu h TYR 97 CO 0.08 0.58 -0.15 -0.84 -1.64 0.00 0.00 178.16 176.20 1ryu h ILE 98 N 0.77 1.37 0.00 1.81 3.07 -1.17 0.24 117.51 123.60 1ryu h ILE 98 Ca 0.20 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 65.25 1ryu h ILE 98 Cb 0.06 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 1ryu h ILE 98 CO -0.03 0.39 0.00 1.56 -1.05 0.00 0.00 178.15 179.02 1ryu h GLN 99 N -0.09 0.00 0.00 0.16 4.20 -0.82 0.16 115.11 118.72 1ryu h GLN 99 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1ryu h GLN 99 Cb 0.70 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1ryu h GLN 99 CO 0.04 0.00 -1.86 0.00 -0.67 0.00 0.00 178.83 176.33 1ryu n LEU 101 N -2.17 0.23 0.12 0.00 4.32 0.84 -4.28 117.00 116.06 1ryu n LEU 101 Ca -0.05 -0.58 -0.13 0.00 -0.02 0.00 0.00 56.01 55.24 1ryu n LEU 101 Cb 0.51 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.24 1ryu n LEU 101 CO 0.39 0.06 0.52 0.22 -1.22 0.00 0.00 177.39 177.35 1ryu h TYR 102 N 0.00 -0.32 -0.02 -1.77 5.03 -0.83 -1.67 116.97 117.39 1ryu h TYR 102 Ca 0.00 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.14 1ryu h TYR 102 Cb 0.01 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.38 1ryu h TYR 102 CO 0.00 0.04 -0.73 0.00 -1.32 0.00 0.00 178.16 176.15 1ryu h ALA 103 N -0.18 0.74 -0.05 1.82 0.00 -1.85 -3.03 119.26 116.70 1ryu h ALA 103 Ca -0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1ryu h ALA 103 Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ryu h ALA 103 CO 0.06 0.85 -0.03 0.35 0.00 0.00 0.00 179.25 180.47 1ryu h PHE 104 N 0.09 0.07 -0.50 0.00 3.04 -1.74 0.13 116.94 118.03 1ryu h PHE 104 Ca -0.02 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1ryu h PHE 104 Cb 1.29 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.75 1ryu h PHE 104 CO 0.02 0.10 0.30 1.49 -2.02 0.00 0.00 178.31 178.19 1ryu h GLU 105 N 0.07 0.68 -0.04 1.11 4.57 -1.17 1.00 114.58 120.81 1ryu h GLU 105 Ca 0.02 -0.07 -0.20 0.00 -1.18 0.00 0.00 59.36 57.93 1ryu h GLU 105 Cb 0.10 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1ryu h GLU 105 CO 0.00 0.51 -0.82 0.00 -1.18 0.00 0.00 179.01 177.52 1ryu h LYS 107 N 0.23 0.00 0.00 0.00 3.11 -0.69 -3.21 116.57 116.01 1ryu h LYS 107 Ca -0.05 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.74 1ryu h LYS 107 Cb 1.42 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.64 1ryu h LYS 107 CO 0.14 0.56 -1.02 0.97 -2.81 0.00 0.00 179.45 177.29 1ryu h ILE 108 N 0.00 0.17 0.00 2.00 6.09 0.11 -3.28 117.51 122.59 1ryu h ILE 108 Ca -0.01 -1.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.16 1ryu h ILE 108 Cb 1.27 1.72 0.00 0.00 0.47 0.00 0.00 36.82 40.28 1ryu h ILE 108 CO 0.07 0.10 0.00 -1.84 -3.07 0.00 0.00 178.15 173.41 1ryu n GLU 109 N -2.79 0.12 0.23 2.19 -0.00 -0.41 -1.38 120.64 118.60 1ryu n GLU 109 Ca -0.02 0.18 0.16 0.00 -0.00 0.00 0.00 57.16 57.48 1ryu n GLU 109 Cb 0.64 -1.50 0.79 0.00 -0.00 0.00 0.00 31.44 31.36 1ryu n GLU 109 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1ryu h ARG 110 N 0.00 0.00 0.00 3.44 2.43 -1.66 -3.00 114.38 115.59 1ryu h ARG 110 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ryu h ARG 110 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1ryu h ARG 110 CO 0.00 0.00 -0.10 0.41 -1.51 0.00 0.00 179.97 178.77 1ryu n GLY 111 N -0.75 0.70 0.00 2.80 0.00 -0.93 -4.59 105.19 102.42 1ryu n GLY 111 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1ryu n GLY 111 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ryu n GLU 112 N -0.37 0.19 -2.67 1.61 -0.00 -0.48 -4.32 120.64 114.60 1ryu n GLU 112 Ca 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 57.16 57.27 1ryu n GLU 112 Cb 0.00 -1.50 0.03 0.00 -0.00 0.00 0.00 31.44 29.97 1ryu n GLU 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ryu s ASP 113 N -2.68 -0.21 -0.28 -1.84 2.15 -1.18 -5.00 116.67 107.63 1ryu s ASP 113 Ca 0.15 -0.24 -0.29 0.00 0.43 0.00 0.00 52.55 52.60 1ryu s ASP 113 Cb 0.12 0.28 -0.07 0.00 -0.30 0.00 0.00 42.92 42.95 1ryu s ASP 113 CO 0.29 -0.01 2.25 -2.65 -0.17 0.00 0.00 175.17 174.87 1ryu n PRO 114 N 2.68 1.69 0.06 4.34 -0.02 -1.26 -4.88 135.00 137.60 1ryu n PRO 114 Ca 0.11 0.43 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1ryu n PRO 114 Cb 0.65 -3.11 -0.05 0.00 -0.02 0.00 0.00 33.50 30.97 1ryu n PRO 114 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ryu h PRO 115 N 15.09 -0.23 -0.01 0.52 0.11 -1.91 -3.17 132.00 142.41 1ryu h PRO 115 Ca -0.36 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1ryu h PRO 115 Cb 1.26 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ryu h PRO 115 CO 1.00 -0.15 -0.55 -0.35 -0.21 0.00 0.00 178.00 177.73 1ryu n PRO 116 N -5.27 0.72 -3.66 1.05 -0.04 -1.26 -4.96 135.00 121.58 1ryu n PRO 116 Ca -0.05 -0.55 -0.24 0.00 -0.04 0.00 0.00 63.50 62.61 1ryu n PRO 116 Cb 0.19 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.22 1ryu n PRO 116 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ryu n ASP 117 N -0.66 -5.13 -0.35 3.54 8.00 -1.20 -4.83 116.55 115.92 1ryu n ASP 117 Ca 0.08 -0.62 0.32 0.00 0.71 0.00 0.00 54.79 55.28 1ryu n ASP 117 Cb 0.40 -4.72 0.59 0.00 -0.02 0.00 0.00 41.12 37.36 1ryu n ASP 117 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1ryu h ILE 118 N -2.41 0.05 -3.82 0.53 2.10 -1.93 -3.40 117.51 108.63 1ryu h ILE 118 Ca -0.58 -0.02 -0.14 0.00 1.08 0.00 0.00 64.86 65.21 1ryu h ILE 118 Cb 1.37 -0.01 -0.19 0.00 -1.09 0.00 0.00 36.82 36.91 1ryu h ILE 118 CO 0.58 0.01 -0.56 -0.36 -1.08 0.00 0.00 178.15 176.73 1ryu s PHE 119 N -5.49 0.21 -2.65 2.19 0.08 -1.26 -5.26 117.98 105.80 1ryu s PHE 119 Ca -0.09 -0.49 0.27 0.00 0.12 0.00 0.00 56.93 56.74 1ryu s PHE 119 Cb 0.33 -0.16 0.80 0.00 -0.57 0.00 0.00 43.02 43.42 1ryu s PHE 119 CO 0.79 -0.32 1.60 0.00 -0.10 0.00 0.00 175.22 177.19