#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 3.40 -0.15 4.04 1.04 -1.26 -5.07 113.70 115.71 1ryu s SER 2 Ca 0.00 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 55.27 1ryu s SER 2 Cb 0.00 -0.26 -0.24 0.00 0.10 0.00 0.00 66.02 65.62 1ryu s SER 2 CO 0.00 0.06 0.52 0.71 0.98 0.00 0.00 173.24 175.51 1ryu h THR 3 N 2.79 1.25 -1.96 2.02 1.35 -1.96 -3.45 112.91 112.94 1ryu h THR 3 Ca -0.43 -2.31 -0.56 0.00 -0.55 0.00 0.00 66.41 62.56 1ryu h THR 3 Cb 1.23 2.77 -0.09 0.00 -1.73 0.00 0.00 68.15 70.33 1ryu h THR 3 CO 0.54 0.54 -0.59 0.42 -0.25 0.00 0.00 175.52 176.18 1ryu s THR 4 N -2.36 2.97 0.46 6.82 -4.23 -1.26 -4.41 115.64 113.64 1ryu s THR 4 Ca -0.22 -1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1ryu s THR 4 Cb 0.02 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 1ryu s THR 4 CO 0.68 -0.23 0.75 -0.89 -0.54 0.00 0.00 174.62 174.40 1ryu s THR 5 N -2.44 4.93 -1.96 3.99 2.01 -1.26 -4.93 115.64 115.98 1ryu s THR 5 Ca 0.35 0.14 0.08 0.00 0.31 0.00 0.00 61.69 62.57 1ryu s THR 5 Cb -0.02 -3.86 0.23 0.00 0.01 0.00 0.00 72.50 68.86 1ryu s THR 5 CO 0.21 -0.79 0.96 0.59 -0.69 0.00 0.00 174.62 174.90 1ryu n ASN 6 N -2.13 0.00 -4.34 3.53 3.02 -1.26 -4.38 115.26 109.70 1ryu n ASN 6 Ca -0.00 -0.23 -0.41 0.00 -0.03 0.00 0.00 54.58 53.91 1ryu n ASN 6 Cb 0.55 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.04 2.76 -0.00 3.52 8.01 -1.26 -4.93 118.70 124.75 1ryu s GLU 7 Ca 0.12 -1.25 -0.08 0.00 0.01 0.00 0.00 54.97 53.77 1ryu s GLU 7 Cb 0.06 -3.80 -0.30 0.00 -4.31 0.00 0.00 34.13 25.78 1ryu s GLU 7 CO 0.10 -0.83 0.84 1.57 0.01 0.00 0.00 175.26 176.95 1ryu h LYS 8 N 8.46 0.34 0.00 1.61 5.09 -1.88 -3.44 116.57 126.76 1ryu h LYS 8 Ca -0.25 -0.59 0.00 0.00 0.09 0.00 0.00 60.65 59.91 1ryu h LYS 8 Cb 1.10 0.22 0.00 0.00 0.10 0.00 0.00 32.23 33.64 1ryu h LYS 8 CO 0.73 1.24 0.00 0.44 -2.09 0.00 0.00 179.45 179.76 1ryu n ILE 9 N -3.54 0.00 -1.07 0.07 -6.64 -1.26 -4.65 119.36 102.27 1ryu n ILE 9 Ca -0.18 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.80 1ryu n ILE 9 Cb 1.06 -1.60 0.00 0.00 -1.44 0.00 0.00 39.64 37.66 1ryu n ILE 9 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 1ryu n THR 10 N -0.90 0.00 0.20 7.28 5.66 -1.26 -4.73 114.28 120.53 1ryu n THR 10 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1ryu n THR 10 Cb 0.00 0.00 0.43 0.00 -1.55 0.00 0.00 70.33 69.21 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 -0.51 1.09 3.11 -1.88 -2.67 116.57 115.71 1ryu h LYS 11 Ca 0.00 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 57.96 1ryu h LYS 11 Cb 0.42 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.63 1ryu h LYS 11 CO 0.00 0.32 0.36 1.25 -2.81 0.00 0.00 179.45 178.56 1ryu h LEU 12 N 0.00 0.14 -1.73 5.20 5.85 -1.96 -1.48 115.31 121.33 1ryu h LEU 12 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ryu h LEU 12 Cb 0.71 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1ryu h LEU 12 CO 0.04 0.08 0.41 1.88 -0.34 0.00 0.00 178.44 180.51 1ryu h TYR 13 N 0.16 0.00 -1.42 1.25 -1.99 -1.88 -3.39 116.97 109.70 1ryu h TYR 13 Ca 0.24 0.00 0.13 0.00 2.00 0.00 0.00 58.73 61.10 1ryu h TYR 13 Cb 0.75 0.00 -0.26 0.00 2.00 0.00 0.00 36.73 39.22 1ryu h TYR 13 CO -0.00 0.00 0.30 -1.83 -0.00 0.00 0.00 178.16 176.63 1ryu s GLU 14 N -4.05 0.38 0.00 4.88 -1.05 -0.56 -5.07 118.70 113.22 1ryu s GLU 14 Ca -0.03 0.74 0.00 0.00 -0.15 0.00 0.00 54.97 55.53 1ryu s GLU 14 Cb 0.08 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1ryu s GLU 14 CO 0.24 -0.09 0.00 1.28 0.95 0.00 0.00 175.26 177.63 1ryu n LEU 15 N 4.17 0.00 0.00 1.83 4.32 -1.26 -4.76 117.00 121.30 1ryu n LEU 15 Ca -0.16 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 55.96 1ryu n LEU 15 Cb 0.56 -0.06 0.75 0.00 -1.62 0.00 0.00 43.42 43.05 1ryu n LEU 15 CO -0.00 -0.21 0.94 0.61 -1.22 0.00 0.00 177.39 177.51 1ryu n GLY 16 N 3.29 -0.83 3.18 -0.72 0.00 -1.26 -4.73 105.19 104.12 1ryu n GLY 16 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1ryu n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ryu s GLY 17 N -2.05 0.87 -1.12 -0.02 0.00 -1.26 -4.88 107.32 98.86 1ryu s GLY 17 Ca 0.37 -1.16 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 1ryu s GLY 17 CO 0.30 -1.22 0.83 1.18 0.00 0.00 0.00 173.10 174.19 1ryu n GLU 18 N 0.70 -1.60 0.24 2.90 4.71 -1.26 -4.75 120.64 121.58 1ryu n GLU 18 Ca -0.17 0.58 0.10 0.00 -0.01 0.00 0.00 57.16 57.66 1ryu n GLU 18 Cb 0.57 -4.65 0.63 0.00 -1.01 0.00 0.00 31.44 26.98 1ryu n GLU 18 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1ryu h PRO 19 N -1.66 0.00 0.03 3.49 0.13 -1.90 0.18 132.00 132.28 1ryu h PRO 19 Ca -0.65 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1ryu h PRO 19 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ryu h PRO 19 CO 0.47 0.16 -0.02 0.93 -0.23 0.00 0.00 178.00 179.32 1ryu h GLU 20 N 0.00 -0.04 -0.13 0.86 5.08 -1.98 0.15 114.58 118.51 1ryu h GLU 20 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1ryu h GLU 20 Cb 0.37 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1ryu h GLU 20 CO 0.02 0.49 -0.52 0.00 -1.00 0.00 0.00 179.01 178.00 1ryu h ARG 21 N -0.61 0.35 -0.11 2.33 -0.00 -1.88 -0.91 114.38 113.55 1ryu h ARG 21 Ca -0.00 -0.21 -0.13 0.00 -0.50 0.00 0.00 59.98 59.13 1ryu h ARG 21 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.53 1ryu h ARG 21 CO 0.01 0.79 -0.52 -0.22 0.00 0.00 0.00 179.97 180.03 1ryu h LYS 22 N 0.28 0.31 -0.14 0.04 3.64 -0.67 -0.51 116.57 119.51 1ryu h LYS 22 Ca 0.01 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 1ryu h LYS 22 Cb 1.01 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1ryu h LYS 22 CO 0.09 0.75 -0.11 1.98 -2.27 0.00 0.00 179.45 179.89 1ryu h MET 23 N 0.24 0.32 -0.77 1.90 4.05 -0.44 0.03 114.93 120.26 1ryu h MET 23 Ca 0.01 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1ryu h MET 23 Cb 0.99 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.76 1ryu h MET 23 CO 0.08 0.69 0.49 -1.49 0.23 0.00 0.00 176.91 176.92 1ryu h TRP 24 N -0.05 0.98 -0.15 1.39 6.55 -1.08 0.55 115.95 124.15 1ryu h TRP 24 Ca 0.02 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 1ryu h TRP 24 Cb 0.62 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.59 1ryu h TRP 24 CO 0.08 0.63 -0.00 -0.24 -1.05 0.00 0.00 178.44 177.86 1ryu h VAL 25 N 1.04 1.25 -0.08 1.49 3.04 -1.06 0.10 116.25 122.04 1ryu h VAL 25 Ca 0.28 -0.84 -0.09 0.00 -1.01 0.00 0.00 66.70 65.03 1ryu h VAL 25 Cb -0.09 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 1ryu h VAL 25 CO -0.06 0.25 -0.37 -0.78 -1.01 0.00 0.00 177.57 175.60 1ryu h ASP 26 N 0.00 0.17 0.55 3.17 1.82 -0.71 -1.71 116.42 119.71 1ryu h ASP 26 Ca 0.04 -0.06 -0.18 0.00 -0.39 0.00 0.00 57.03 56.44 1ryu h ASP 26 Cb 0.38 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1ryu h ASP 26 CO 0.01 0.53 -0.79 -0.09 -1.61 0.00 0.00 179.24 177.29 1ryu h ARG 27 N 0.14 0.18 -0.26 0.28 9.65 0.23 -0.70 114.38 123.90 1ryu h ARG 27 Ca 0.02 -0.17 -0.04 0.00 -1.10 0.00 0.00 59.98 58.69 1ryu h ARG 27 Cb 0.73 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 1ryu h ARG 27 CO 0.05 0.88 0.02 -0.92 2.80 0.00 0.00 179.97 182.80 1ryu h TYR 28 N 0.11 0.48 -0.39 2.20 5.03 -0.30 0.26 116.97 124.36 1ryu h TYR 28 Ca -0.03 -0.08 -0.06 0.00 2.58 0.00 0.00 58.73 61.14 1ryu h TYR 28 Cb 1.38 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 1ryu h TYR 28 CO 0.02 0.58 -0.01 -0.07 -1.32 0.00 0.00 178.16 177.36 1ryu h LEU 29 N 0.24 0.68 -1.71 2.82 -0.00 -1.30 -1.10 115.31 114.95 1ryu h LEU 29 Ca 0.08 -0.31 -0.01 0.00 -0.00 0.00 0.00 57.88 57.63 1ryu h LEU 29 Cb 0.38 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1ryu h LEU 29 CO 0.01 0.83 0.07 0.00 -0.00 0.00 0.00 178.44 179.35 1ryu h ALA 30 N 0.87 1.77 -0.30 1.53 0.00 -1.00 -1.10 119.26 121.04 1ryu h ALA 30 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ryu h ALA 30 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ryu h ALA 30 CO 0.02 0.19 -0.01 0.35 0.00 0.00 0.00 179.25 179.80 1ryu h PHE 31 N 0.26 0.59 -0.74 0.00 3.57 0.21 0.18 116.94 121.01 1ryu h PHE 31 Ca 0.07 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1ryu h PHE 31 Cb 0.07 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1ryu h PHE 31 CO 0.00 0.68 0.36 1.79 -2.23 0.00 0.00 178.31 178.91 1ryu h THR 32 N 0.32 1.24 -0.03 4.41 1.35 -0.36 -1.92 112.91 117.92 1ryu h THR 32 Ca 0.08 -0.68 -0.10 0.00 -0.55 0.00 0.00 66.41 65.16 1ryu h THR 32 Cb 0.45 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 1ryu h THR 32 CO 0.02 0.28 -0.47 -0.33 -0.25 0.00 0.00 175.52 174.77 1ryu h GLU 33 N 1.04 0.06 -0.79 4.72 5.08 -1.09 -2.04 114.58 121.56 1ryu h GLU 33 Ca 0.25 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1ryu h GLU 33 Cb 0.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1ryu h GLU 33 CO -0.03 0.53 0.52 1.49 -1.00 0.00 0.00 179.01 180.51 1ryu h GLU 34 N 0.05 0.89 -0.37 2.33 4.57 0.18 -0.38 114.58 121.86 1ryu h GLU 34 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ryu h GLU 34 Cb 0.86 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1ryu h GLU 34 CO 0.06 0.59 0.00 1.63 -1.18 0.00 0.00 179.01 180.11 1ryu n LYS 35 N -4.47 1.95 -1.46 1.92 4.01 -1.12 -4.87 118.16 114.12 1ryu n LYS 35 Ca 0.11 -1.46 -0.16 0.00 -0.51 0.00 0.00 58.31 56.29 1ryu n LYS 35 Cb 0.16 -1.35 -0.07 0.00 -0.51 0.00 0.00 35.03 33.27 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 0.68 -0.24 0.15 7.82 0.00 -0.15 -4.78 120.51 123.98 1ryu n ALA 36 Ca 0.15 0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.94 1ryu n ALA 36 Cb 0.36 -1.91 0.52 0.00 0.00 0.00 0.00 19.45 18.42 1ryu n ALA 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ryu n MET 37 N -1.58 0.12 0.00 0.00 0.00 -0.78 -4.76 117.12 110.12 1ryu n MET 37 Ca -0.16 0.62 0.00 0.00 0.00 0.00 0.00 57.70 58.16 1ryu n MET 37 Cb 0.64 -1.93 0.00 0.00 0.00 0.00 0.00 33.22 31.93 1ryu n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ryu n GLY 38 N -1.31 2.90 0.00 -5.12 0.00 -1.25 -4.95 105.19 95.45 1ryu n GLY 38 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.76 0.00 1.61 0.00 -1.26 -4.56 117.12 113.67 1ryu n MET 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ryu n MET 39 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.19 1ryu n MET 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1ryu n THR 40 N -0.53 0.00 -3.35 3.17 5.66 -1.26 -4.98 114.28 112.99 1ryu n THR 40 Ca 0.01 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.63 1ryu n THR 40 Cb 0.01 -0.84 -0.06 0.00 -1.55 0.00 0.00 70.33 67.89 1ryu n THR 40 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ryu s ASN 41 N -1.00 6.69 0.00 1.09 2.47 -1.26 -4.83 114.94 118.10 1ryu s ASN 41 Ca 0.00 0.82 0.00 0.00 0.42 0.00 0.00 52.86 54.10 1ryu s ASN 41 Cb 0.00 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.52 1ryu s ASN 41 CO 0.00 0.05 0.00 0.18 -3.72 0.00 0.00 177.10 173.61 1ryu n LEU 42 N 3.42 0.11 -3.03 3.21 4.32 -1.26 -4.86 117.00 118.91 1ryu n LEU 42 Ca -0.08 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.57 1ryu n LEU 42 Cb 0.52 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 1ryu n LEU 42 CO 0.42 -0.17 2.22 -0.81 -1.22 0.00 0.00 177.39 177.83 1ryu n PRO 43 N -2.75 3.61 -4.12 3.23 -0.04 -1.26 -4.94 135.00 128.73 1ryu n PRO 43 Ca 0.00 -2.75 -0.28 0.00 -0.04 0.00 0.00 63.50 60.42 1ryu n PRO 43 Cb 0.30 -2.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.23 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 -0.71 3.39 0.19 0.55 0.00 -1.26 -3.70 121.76 120.23 1ryu s ALA 44 Ca 0.59 -1.18 0.11 0.00 0.00 0.00 0.00 51.96 51.48 1ryu s ALA 44 Cb 0.26 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1ryu s ALA 44 CO -0.12 0.61 -0.20 0.14 0.00 0.00 0.00 175.76 176.19 1ryu s VAL 45 N -1.53 2.60 0.20 0.00 -7.23 0.01 -4.83 120.40 109.63 1ryu s VAL 45 Ca 0.28 -1.92 0.11 0.00 -1.81 0.00 0.00 61.98 58.64 1ryu s VAL 45 Cb -0.11 -2.26 0.19 0.00 0.56 0.00 0.00 36.38 34.77 1ryu s VAL 45 CO 0.20 -0.11 0.86 0.61 -0.31 0.00 0.00 175.10 176.35 1ryu n GLY 46 N 0.22 -0.42 0.00 2.32 0.00 -1.26 -3.92 105.19 102.12 1ryu n GLY 46 Ca -0.12 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.25 0.00 -0.98 1.61 0.00 -1.26 -4.91 116.66 106.87 1ryu n ARG 47 Ca 0.20 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.72 1ryu n ARG 47 Cb 0.69 0.00 0.14 0.00 0.00 0.00 0.00 32.46 33.28 1ryu n ARG 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ryu n LYS 48 N 0.00 -0.01 0.00 -0.14 4.76 -1.25 -4.82 118.16 116.70 1ryu n LYS 48 Ca 0.00 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1ryu n LYS 48 Cb 0.00 -2.37 0.00 0.00 -1.84 0.00 0.00 35.03 30.82 1ryu n LYS 48 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1ryu n PRO 49 N -3.37 0.00 -0.06 1.97 -0.02 -1.26 -2.52 135.00 129.74 1ryu n PRO 49 Ca 0.13 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.48 1ryu n PRO 49 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.95 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 1.43 -3.64 2.45 4.32 -1.24 -0.81 117.00 119.51 1ryu n LEU 50 Ca 0.00 0.24 -0.23 0.00 -0.02 0.00 0.00 56.01 56.00 1ryu n LEU 50 Cb 0.00 -0.55 0.06 0.00 -1.62 0.00 0.00 43.42 41.31 1ryu n LEU 50 CO 0.00 -0.02 0.10 0.47 -1.22 0.00 0.00 177.39 176.71 1ryu n ASP 51 N -3.94 -3.42 0.24 -1.43 9.92 -1.26 -4.85 116.55 111.81 1ryu n ASP 51 Ca -0.22 -0.69 0.08 0.00 -0.53 0.00 0.00 54.79 53.43 1ryu n ASP 51 Cb 0.55 -4.57 0.59 0.00 -0.64 0.00 0.00 41.12 37.05 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 -2.13 0.00 -0.07 0.64 5.85 -1.95 0.36 115.31 118.01 1ryu h LEU 52 Ca -0.59 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.05 1ryu h LEU 52 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1ryu h LEU 52 CO 0.57 0.16 -0.28 0.22 -0.34 0.00 0.00 178.44 178.77 1ryu h TYR 53 N 0.00 0.42 -0.06 1.25 3.20 -1.93 0.33 116.97 120.18 1ryu h TYR 53 Ca -0.00 -0.18 -0.13 0.00 3.14 0.00 0.00 58.73 61.56 1ryu h TYR 53 Cb 0.33 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1ryu h TYR 53 CO 0.00 0.90 -0.56 0.00 -1.64 0.00 0.00 178.16 176.86 1ryu h ARG 54 N -0.17 0.19 -0.10 1.82 3.08 -1.88 -1.58 114.38 115.74 1ryu h ARG 54 Ca -0.01 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 1ryu h ARG 54 Cb 0.92 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1ryu h ARG 54 CO 0.06 0.70 -0.54 1.25 -1.07 0.00 0.00 179.97 180.36 1ryu h LEU 55 N 0.15 0.32 0.00 3.04 5.85 -0.24 0.69 115.31 125.11 1ryu h LEU 55 Ca -0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1ryu h LEU 55 Cb 1.03 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1ryu h LEU 55 CO 0.08 0.80 -0.00 0.22 -0.34 0.00 0.00 178.44 179.20 1ryu h TYR 56 N 0.22 -0.01 -0.29 1.25 3.20 0.09 0.24 116.97 121.68 1ryu h TYR 56 Ca 0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1ryu h TYR 56 Cb 1.03 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1ryu h TYR 56 CO 0.02 0.43 -0.20 -0.39 -1.64 0.00 0.00 178.16 176.39 1ryu h VAL 57 N -0.44 1.26 -0.28 1.81 -1.51 -1.29 -0.43 116.25 115.36 1ryu h VAL 57 Ca -0.00 -1.19 -0.11 0.00 -1.23 0.00 0.00 66.70 64.17 1ryu h VAL 57 Cb 0.44 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1ryu h VAL 57 CO 0.00 0.39 -0.24 0.28 -1.23 0.00 0.00 177.57 176.77 1ryu h SER 58 N 0.48 0.70 0.14 4.19 0.02 -0.80 -1.43 113.55 116.85 1ryu h SER 58 Ca 0.08 -0.45 -0.10 0.00 -0.84 0.00 0.00 61.79 60.48 1ryu h SER 58 Cb 0.62 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1ryu h SER 58 CO 0.04 1.01 -0.34 1.62 -1.14 0.00 0.00 176.83 178.02 1ryu h VAL 59 N 0.40 1.28 0.25 2.27 3.04 -0.36 0.45 116.25 123.58 1ryu h VAL 59 Ca 0.05 -1.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.36 1ryu h VAL 59 Cb 0.79 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1ryu h VAL 59 CO 0.06 0.42 -0.12 0.11 -1.01 0.00 0.00 177.57 177.03 1ryu h LYS 60 N 0.25 -0.32 -0.09 4.17 1.57 -0.91 -1.94 116.57 119.31 1ryu h LYS 60 Ca 0.03 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1ryu h LYS 60 Cb 0.73 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1ryu h LYS 60 CO 0.06 -0.13 -0.32 0.93 -0.57 0.00 0.00 179.45 179.42 1ryu h GLU 61 N -0.45 0.18 -0.97 3.15 5.08 -1.09 -2.82 114.58 117.65 1ryu h GLU 61 Ca -0.03 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1ryu h GLU 61 Cb 0.34 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1ryu h GLU 61 CO 0.06 0.49 0.63 0.82 -1.00 0.00 0.00 179.01 180.00 1ryu h ILE 62 N 0.16 1.08 0.00 3.13 2.04 0.24 -3.46 117.51 120.70 1ryu h ILE 62 Ca 0.02 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1ryu h ILE 62 Cb 0.65 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1ryu h ILE 62 CO 0.05 0.21 0.00 0.61 0.00 0.00 0.00 178.15 179.01 1ryu n GLY 63 N -1.38 3.99 0.00 5.37 0.00 -0.77 -4.93 105.19 107.47 1ryu n GLY 63 Ca 0.15 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.45 0.15 -0.02 0.00 -0.95 -4.83 105.19 99.09 1ryu n GLY 64 Ca 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 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 0.20 -0.46 0.99 -0.00 -1.99 -2.97 115.31 111.08 1ryu h LEU 65 Ca 0.00 -0.13 -0.15 0.00 -0.00 0.00 0.00 57.88 57.59 1ryu h LEU 65 Cb 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 1ryu h LEU 65 CO 0.00 0.83 -0.73 0.71 -0.00 0.00 0.00 178.44 179.25 1ryu h THR 66 N 0.12 1.46 -0.48 0.15 1.35 -1.99 -3.13 112.91 110.38 1ryu h THR 66 Ca -0.02 -2.55 -0.12 0.00 -0.55 0.00 0.00 66.41 63.17 1ryu h THR 66 Cb 1.23 2.40 -0.01 0.00 -1.73 0.00 0.00 68.15 70.04 1ryu h THR 66 CO 0.10 0.72 -0.18 1.56 -0.25 0.00 0.00 175.52 177.47 1ryu h GLN 67 N 0.00 0.98 -0.13 4.72 1.08 -1.86 -2.67 115.11 117.23 1ryu h GLN 67 Ca -0.01 -0.40 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 1ryu h GLN 67 Cb 1.34 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 1ryu h GLN 67 CO 0.09 1.07 -0.09 0.28 -0.95 0.00 0.00 178.83 179.24 1ryu h VAL 68 N 0.83 1.14 0.00 -0.54 2.07 -1.52 0.51 116.25 118.73 1ryu h VAL 68 Ca 0.12 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1ryu h VAL 68 Cb 0.75 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1ryu h VAL 68 CO 0.06 0.19 -0.28 -1.13 0.02 0.00 0.00 177.57 176.43 1ryu h ASN 69 N 0.18 0.00 0.00 0.57 -0.00 -1.42 -3.37 115.58 111.54 1ryu h ASN 69 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.34 1ryu h ASN 69 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 1ryu h ASN 69 CO 0.01 0.28 0.00 2.29 -0.00 0.00 0.00 177.43 180.01 1ryu n LYS 70 N -3.56 -0.01 -0.66 6.67 2.85 -1.03 -4.83 118.16 117.60 1ryu n LYS 70 Ca -0.01 -0.05 0.09 0.00 -1.05 0.00 0.00 58.31 57.30 1ryu n LYS 70 Cb 0.42 -0.49 0.36 0.00 -0.65 0.00 0.00 35.03 34.67 1ryu n LYS 70 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ryu n ASN 71 N -0.01 4.90 -1.86 -5.58 4.13 0.17 -4.91 115.26 112.10 1ryu n ASN 71 Ca 0.00 -2.59 -0.18 0.00 1.68 0.00 0.00 54.58 53.49 1ryu n ASN 71 Cb 0.20 -0.59 -0.05 0.00 -1.54 0.00 0.00 39.78 37.79 1ryu n ASN 71 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ryu n LYS 72 N 0.89 -1.58 0.19 3.52 5.02 -1.26 -4.82 118.16 120.12 1ryu n LYS 72 Ca 0.26 0.99 0.03 0.00 -2.02 0.00 0.00 58.31 57.56 1ryu n LYS 72 Cb 0.95 -5.44 0.38 0.00 -0.02 0.00 0.00 35.03 30.90 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 -0.83 1.97 1.79 -1.78 -2.90 116.57 114.82 1ryu h LYS 73 Ca -0.39 -0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.29 1ryu h LYS 73 Cb 1.23 -0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.74 1ryu h LYS 73 CO 0.53 0.35 0.20 0.11 -1.08 0.00 0.00 179.45 179.55 1ryu h TRP 74 N 0.00 0.29 -0.16 -1.35 5.08 -1.88 1.32 115.95 119.25 1ryu h TRP 74 Ca -0.00 0.05 -0.10 0.00 1.08 0.00 0.00 58.89 59.92 1ryu h TRP 74 Cb 0.61 0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.76 1ryu h TRP 74 CO 0.00 -0.18 -0.33 -0.09 -1.28 0.00 0.00 178.44 176.57 1ryu h ARG 75 N 0.22 0.33 -0.19 0.12 2.43 -1.80 -1.61 114.38 113.88 1ryu h ARG 75 Ca 0.50 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1ryu h ARG 75 Cb 0.96 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1ryu h ARG 75 CO -0.62 0.62 -0.04 0.93 -1.51 0.00 0.00 179.97 179.35 1ryu h GLU 76 N 0.28 0.35 -0.48 0.20 4.39 0.14 -1.04 114.58 118.43 1ryu h GLU 76 Ca 0.04 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 1ryu h GLU 76 Cb 0.72 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1ryu h GLU 76 CO 0.05 0.60 -0.11 1.37 -1.16 0.00 0.00 179.01 179.77 1ryu h LEU 77 N 0.07 0.88 -0.76 1.33 -0.00 -0.12 0.62 115.31 117.33 1ryu h LEU 77 Ca 0.05 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1ryu h LEU 77 Cb 0.47 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 1ryu h LEU 77 CO 0.02 1.01 0.47 0.00 -0.00 0.00 0.00 178.44 179.93 1ryu h ALA 78 N 1.07 0.97 -0.06 0.17 0.00 -1.22 -1.91 119.26 118.28 1ryu h ALA 78 Ca 0.13 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1ryu h ALA 78 Cb 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ryu h ALA 78 CO 0.04 0.42 -0.71 1.15 0.00 0.00 0.00 179.25 180.15 1ryu h THR 79 N 1.04 1.41 0.00 0.00 2.02 0.30 0.50 112.91 118.17 1ryu h THR 79 Ca 0.27 -2.19 -0.03 0.00 0.77 0.00 0.00 66.41 65.24 1ryu h THR 79 Cb -0.06 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1ryu h THR 79 CO -0.05 0.65 -0.14 0.78 0.37 0.00 0.00 175.52 177.13 1ryu h ASN 80 N 0.20 0.00 -0.25 4.18 -0.26 0.81 -2.90 115.58 117.36 1ryu h ASN 80 Ca -0.02 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.59 1ryu h ASN 80 Cb 1.27 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.46 1ryu h ASN 80 CO 0.11 0.14 -0.19 0.18 -1.06 0.00 0.00 177.43 176.61 1ryu n LEU 81 N -3.53 3.70 -2.43 1.61 4.77 -0.77 -4.93 117.00 115.41 1ryu n LEU 81 Ca -0.01 -3.78 -0.12 0.00 -0.03 0.00 0.00 56.01 52.07 1ryu n LEU 81 Cb 0.28 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1ryu n LEU 81 CO 0.30 1.28 -0.15 0.59 -1.33 0.00 0.00 177.39 178.08 1ryu n ASN 82 N -1.11 -3.80 0.10 -1.43 5.03 -1.10 -4.46 115.26 108.49 1ryu n ASN 82 Ca 0.29 0.21 0.09 0.00 0.87 0.00 0.00 54.58 56.03 1ryu n ASN 82 Cb 0.93 -3.24 0.00 0.00 -1.02 0.00 0.00 39.78 36.45 1ryu n ASN 82 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1ryu h VAL 83 N 0.00 0.13 0.00 2.41 2.07 -0.28 -3.44 116.25 117.15 1ryu h VAL 83 Ca -0.28 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1ryu h VAL 83 Cb 1.20 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1ryu h VAL 83 CO 0.33 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1ryu n GLY 84 N 1.22 0.97 0.00 2.17 0.00 -0.65 -4.45 105.19 104.44 1ryu n GLY 84 Ca -0.01 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 0.39 0.00 -1.52 2.61 -2.24 -1.26 -1.04 114.28 111.23 1ryu n THR 85 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1ryu n THR 85 Cb 0.00 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.06 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 0.00 -0.33 0.00 3.42 3.41 -1.26 -4.17 113.62 114.69 1ryu n SER 86 Ca 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 1ryu n SER 86 Cb 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1ryu n SER 86 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ryu n SER 87 N 9.59 0.00 0.32 4.04 2.88 -1.26 -4.98 113.62 124.21 1ryu n SER 87 Ca 0.62 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 58.35 1ryu n SER 87 Cb 0.21 0.00 1.05 0.00 -0.75 0.00 0.00 64.21 64.72 1ryu n SER 87 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ryu h SER 88 N 0.00 0.00 -0.99 -3.46 4.64 -2.02 -2.74 113.55 108.99 1ryu h SER 88 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1ryu h SER 88 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1ryu h SER 88 CO 0.00 0.01 0.65 0.00 -0.87 0.00 0.00 176.83 176.62 1ryu h ALA 89 N 1.99 1.28 -0.29 5.18 0.00 -1.90 -0.90 119.26 124.61 1ryu h ALA 89 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ryu h ALA 89 Cb 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ryu h ALA 89 CO 0.00 0.59 0.15 0.00 0.00 0.00 0.00 179.25 179.99 1ryu h ALA 90 N 1.38 0.37 -0.24 0.00 0.00 -1.65 0.53 119.26 119.66 1ryu h ALA 90 Ca 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ryu h ALA 90 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ryu h ALA 90 CO -0.10 -0.08 0.08 1.03 0.00 0.00 0.00 179.25 180.18 1ryu h SER 91 N 0.34 0.35 -0.18 0.00 0.87 -1.63 0.19 113.55 113.49 1ryu h SER 91 Ca 0.10 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.35 1ryu h SER 91 Cb 0.10 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ryu h SER 91 CO -0.01 0.46 -0.24 -1.28 -0.53 0.00 0.00 176.83 175.22 1ryu h SER 92 N 0.22 0.64 1.46 6.23 0.87 -1.05 -1.92 113.55 120.01 1ryu h SER 92 Ca 0.08 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1ryu h SER 92 Cb 0.23 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1ryu h SER 92 CO -0.00 0.87 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.98 1ryu h LEU 93 N 0.56 0.00 -0.03 2.23 -0.00 0.26 0.39 115.31 118.72 1ryu h LEU 93 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 1ryu h LEU 93 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 1ryu h LEU 93 CO 0.05 0.12 -0.07 0.50 -0.00 0.00 0.00 178.44 179.04 1ryu h LYS 94 N 0.00 0.09 -0.15 1.13 3.11 -0.11 0.20 116.57 120.84 1ryu h LYS 94 Ca -0.00 -0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.67 1ryu h LYS 94 Cb 0.88 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 1ryu h LYS 94 CO 0.02 0.66 -0.35 -0.22 -2.81 0.00 0.00 179.45 176.75 1ryu h LYS 95 N -0.46 0.32 -0.12 1.90 1.63 -1.27 -1.21 116.57 117.37 1ryu h LYS 95 Ca -0.00 -0.14 -0.21 0.00 -0.85 0.00 0.00 60.65 59.45 1ryu h LYS 95 Cb 0.67 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.30 1ryu h LYS 95 CO 0.01 0.64 -0.76 1.96 -3.45 0.00 0.00 179.45 177.85 1ryu h GLN 96 N 0.28 0.72 -0.47 1.90 1.08 -0.93 -0.84 115.11 116.85 1ryu h GLN 96 Ca 0.03 -0.62 -0.00 0.00 -1.45 0.00 0.00 58.65 56.61 1ryu h GLN 96 Cb 0.76 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 1ryu h GLN 96 CO 0.06 1.23 0.27 -0.92 -0.95 0.00 0.00 178.83 178.52 1ryu h TYR 97 N 0.42 0.62 -0.16 2.96 5.03 -0.40 0.35 116.97 125.79 1ryu h TYR 97 Ca -0.06 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 1ryu h TYR 97 Cb 1.40 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.47 1ryu h TYR 97 CO 0.10 0.45 -0.04 -0.84 -1.32 0.00 0.00 178.16 176.51 1ryu h ILE 98 N 0.62 1.29 0.00 1.81 3.07 -1.25 0.53 117.51 123.58 1ryu h ILE 98 Ca 0.17 -0.99 0.00 0.00 1.55 0.00 0.00 64.86 65.58 1ryu h ILE 98 Cb 0.02 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 1ryu h ILE 98 CO -0.03 0.29 0.00 1.56 -1.05 0.00 0.00 178.15 178.93 1ryu h GLN 99 N 0.02 0.00 0.00 0.16 4.20 -0.86 0.46 115.11 119.09 1ryu h GLN 99 Ca 0.04 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1ryu h GLN 99 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1ryu h GLN 99 CO 0.02 0.00 -1.94 0.00 -0.67 0.00 0.00 178.83 176.23 1ryu n LEU 101 N -2.25 0.61 0.03 0.00 4.32 0.18 -4.52 117.00 115.38 1ryu n LEU 101 Ca -0.07 -0.61 -0.13 0.00 -0.02 0.00 0.00 56.01 55.18 1ryu n LEU 101 Cb 0.59 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.30 1ryu n LEU 101 CO 0.41 0.15 0.63 0.22 -1.22 0.00 0.00 177.39 177.58 1ryu h TYR 102 N 0.00 -0.08 -0.01 -1.77 5.03 -0.26 -1.03 116.97 118.85 1ryu h TYR 102 Ca 0.00 -0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.12 1ryu h TYR 102 Cb 0.21 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1ryu h TYR 102 CO 0.00 0.31 -0.83 0.00 -1.32 0.00 0.00 178.16 176.33 1ryu h ALA 103 N 0.39 0.59 -0.11 1.82 0.00 -1.87 -3.08 119.26 117.00 1ryu h ALA 103 Ca -0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1ryu h ALA 103 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ryu h ALA 103 CO 0.01 0.90 0.01 0.35 0.00 0.00 0.00 179.25 180.53 1ryu h PHE 104 N 0.10 0.15 -0.45 0.00 3.04 -1.78 -0.56 116.94 117.43 1ryu h PHE 104 Ca -0.03 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.88 1ryu h PHE 104 Cb 1.44 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.88 1ryu h PHE 104 CO 0.02 0.15 0.15 1.49 -2.02 0.00 0.00 178.31 178.10 1ryu h GLU 105 N 0.15 0.70 -0.09 1.11 4.22 -1.08 0.75 114.58 120.33 1ryu h GLU 105 Ca 0.04 -0.15 -0.18 0.00 0.08 0.00 0.00 59.36 59.16 1ryu h GLU 105 Cb 0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ryu h GLU 105 CO -0.00 0.66 -0.69 0.00 -2.18 0.00 0.00 179.01 176.80 1ryu h LYS 107 N 0.29 0.24 0.00 0.00 3.64 -0.94 -3.31 116.57 116.49 1ryu h LYS 107 Ca -0.02 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1ryu h LYS 107 Cb 1.26 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1ryu h LYS 107 CO 0.12 1.07 -0.88 0.97 -2.27 0.00 0.00 179.45 178.46 1ryu h ILE 108 N 0.11 0.00 0.00 2.00 6.09 0.50 -3.34 117.51 122.88 1ryu h ILE 108 Ca -0.08 -0.95 0.00 0.00 -1.37 0.00 0.00 64.86 62.47 1ryu h ILE 108 Cb 1.70 1.50 0.00 0.00 0.47 0.00 0.00 36.82 40.48 1ryu h ILE 108 CO 0.16 0.00 0.22 1.05 -3.07 0.00 0.00 178.15 176.51 1ryu h GLU 109 N 0.00 0.00 -0.38 2.19 -0.00 -1.13 -0.31 114.58 114.95 1ryu h GLU 109 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 59.47 1ryu h GLU 109 Cb 0.97 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.71 1ryu h GLU 109 CO 0.00 0.00 0.51 -0.09 -0.00 0.00 0.00 179.01 179.43 1ryu h ARG 110 N 0.00 0.00 0.00 1.06 2.43 -1.78 -1.87 114.38 114.23 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 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ryu h ARG 110 CO 0.00 0.00 -0.04 0.41 -1.51 0.00 0.00 179.97 178.83 1ryu n GLY 111 N -1.46 0.90 3.90 2.80 0.00 -0.23 -5.07 105.19 106.04 1ryu n GLY 111 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1ryu n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ryu s GLU 112 N -0.46 3.58 -0.24 1.61 2.12 -0.61 -4.78 118.70 119.91 1ryu s GLU 112 Ca 0.00 -0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.11 1ryu s GLU 112 Cb 0.00 -2.93 0.02 0.00 0.26 0.00 0.00 34.13 31.48 1ryu s GLU 112 CO 0.00 0.53 0.12 -0.25 -0.54 0.00 0.00 175.26 175.12 1ryu n ASP 113 N 0.32 -4.36 -4.40 -1.70 8.00 -1.26 -4.46 116.55 108.69 1ryu n ASP 113 Ca -0.05 1.38 -0.34 0.00 0.71 0.00 0.00 54.79 56.50 1ryu n ASP 113 Cb 0.52 -5.21 0.11 0.00 -0.02 0.00 0.00 41.12 36.51 1ryu n ASP 113 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1ryu n PRO 114 N 1.23 -0.18 -1.88 -0.24 -0.02 -1.26 -4.85 135.00 127.79 1ryu n PRO 114 Ca -0.20 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.84 1ryu n PRO 114 Cb 0.33 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1ryu n PRO 114 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ryu s PRO 115 N -3.41 3.90 -0.02 0.52 0.04 -1.26 -4.87 135.00 129.89 1ryu s PRO 115 Ca 0.57 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.79 1ryu s PRO 115 Cb -0.23 -4.11 0.17 0.00 0.04 0.00 0.00 34.50 30.37 1ryu s PRO 115 CO 0.67 -1.20 1.00 -0.35 0.04 0.00 0.00 177.00 177.16 1ryu n PRO 116 N 7.65 1.61 -2.85 0.56 -0.04 -1.26 -4.94 135.00 135.72 1ryu n PRO 116 Ca 0.20 -0.68 -0.06 0.00 -0.04 0.00 0.00 63.50 62.93 1ryu n PRO 116 Cb 0.43 -1.35 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.07 -7.77 -4.58 3.54 2.03 -1.26 -5.04 116.55 103.53 1ryu n ASP 117 Ca 0.06 0.91 -0.24 0.00 0.52 0.00 0.00 54.79 56.04 1ryu n ASP 117 Cb 0.27 -4.90 -0.09 0.00 -0.72 0.00 0.00 41.12 35.68 1ryu n ASP 117 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ryu s ILE 118 N -1.98 2.65 0.28 5.18 2.07 -1.26 -5.09 121.20 123.04 1ryu s ILE 118 Ca 0.12 -2.10 -0.30 0.00 -1.41 0.00 0.00 60.65 56.96 1ryu s ILE 118 Cb -0.03 -2.67 -0.13 0.00 0.13 0.00 0.00 42.46 39.77 1ryu s ILE 118 CO 0.73 -0.27 1.42 0.49 -1.91 0.00 0.00 174.94 175.41 1ryu n PHE 119 N -0.84 2.36 -1.83 3.50 3.01 -1.26 -5.26 117.46 117.14 1ryu n PHE 119 Ca -0.05 0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.83 1ryu n PHE 119 Cb 0.62 -2.48 0.00 0.00 -0.01 0.00 0.00 39.48 37.60 1ryu n PHE 119 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77