#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ioc n GLU -2 N 0.00 2.06 -2.05 0.00 0.00 -1.26 -4.91 120.64 114.49 1ioc n GLU -2 Ca 0.00 0.74 -0.38 0.00 0.00 0.00 0.00 57.16 57.51 1ioc n GLU -2 Cb 0.00 -2.54 0.01 0.00 0.00 0.00 0.00 31.44 28.91 1ioc n GLU -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ioc s ALA -1 N -1.21 3.04 -0.40 4.31 0.00 -1.26 -4.86 121.76 121.37 1ioc s ALA -1 Ca 0.63 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.76 1ioc s ALA -1 Cb -0.46 -3.47 0.14 0.00 0.00 0.00 0.00 23.12 19.32 1ioc s ALA -1 CO 0.57 -0.92 0.24 0.15 0.00 0.00 0.00 175.76 175.80 1ioc s LYS 1 N -2.58 0.95 -0.26 0.00 3.01 -1.26 -5.03 119.74 114.58 1ioc s LYS 1 Ca 0.63 -1.75 -0.09 0.00 -1.01 0.00 0.00 55.97 53.76 1ioc s LYS 1 Cb -0.36 -1.81 -0.04 0.00 -1.01 0.00 0.00 37.83 34.62 1ioc s LYS 1 CO 0.44 -1.21 0.12 0.08 0.51 0.00 0.00 175.35 175.29 1ioc s VAL 2 N 0.60 4.74 1.19 3.17 1.01 -1.26 -1.16 120.40 128.69 1ioc s VAL 2 Ca 0.19 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1ioc s VAL 2 Cb -0.20 -3.23 0.29 0.00 0.00 0.00 0.00 36.38 33.23 1ioc s VAL 2 CO -0.02 0.31 1.02 -0.36 0.00 0.00 0.00 175.10 176.05 1ioc s PHE 3 N 1.62 1.17 -0.13 5.22 0.08 -0.35 -4.96 117.98 120.64 1ioc s PHE 3 Ca 0.07 1.04 -0.05 0.00 0.12 0.00 0.00 56.93 58.10 1ioc s PHE 3 Cb -0.15 -3.10 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 1ioc s PHE 3 CO 0.07 -3.96 0.06 -1.21 -0.10 0.00 0.00 175.22 170.08 1ioc s GLU 4 N -4.61 3.49 0.09 0.44 2.02 -1.26 -4.92 118.70 113.95 1ioc s GLU 4 Ca 0.68 -0.30 -0.17 0.00 0.02 0.00 0.00 54.97 55.20 1ioc s GLU 4 Cb -0.23 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1ioc s GLU 4 CO 0.63 0.56 0.83 -2.13 0.02 0.00 0.00 175.26 175.17 1ioc n ARG 5 N 2.62 -0.24 0.22 1.61 0.63 -1.26 -0.57 116.66 119.67 1ioc n ARG 5 Ca -0.18 0.81 0.09 0.00 -0.92 0.00 0.00 57.85 57.65 1ioc n ARG 5 Cb 0.53 -1.19 0.46 0.00 0.45 0.00 0.00 32.46 32.72 1ioc n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ioc h GLU 7 N 0.00 0.74 -0.62 0.00 4.57 -1.23 -1.54 114.58 116.50 1ioc h GLU 7 Ca -0.00 -0.48 -0.10 0.00 -1.18 0.00 0.00 59.36 57.60 1ioc h GLU 7 Cb 0.71 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1ioc h GLU 7 CO 0.03 1.11 -0.00 1.25 -1.18 0.00 0.00 179.01 180.22 1ioc h LEU 8 N 0.46 1.07 -0.38 1.64 5.85 -1.12 0.13 115.31 122.95 1ioc h LEU 8 Ca 0.01 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1ioc h LEU 8 Cb 1.09 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1ioc h LEU 8 CO 0.11 1.11 0.17 0.00 -0.34 0.00 0.00 178.44 179.49 1ioc h ALA 9 N 0.99 0.46 -0.10 1.25 0.00 -1.16 0.14 119.26 120.85 1ioc h ALA 9 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ioc h ALA 9 Cb 0.57 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ioc h ALA 9 CO 0.03 -0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.10 1ioc h ARG 10 N 0.35 0.16 -0.20 0.00 3.08 -1.00 -1.35 114.38 115.42 1ioc h ARG 10 Ca 0.17 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1ioc h ARG 10 Cb 0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1ioc h ARG 10 CO -0.14 0.34 0.09 1.15 -1.07 0.00 0.00 179.97 180.34 1ioc h THR 11 N -0.05 0.98 -0.75 2.04 2.02 -0.39 0.74 112.91 117.49 1ioc h THR 11 Ca 0.03 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1ioc h THR 11 Cb 0.25 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1ioc h THR 11 CO 0.00 0.04 0.50 -0.07 0.37 0.00 0.00 175.52 176.35 1ioc h LEU 12 N 0.19 0.82 -0.48 2.58 3.38 -0.66 0.12 115.31 121.27 1ioc h LEU 12 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1ioc h LEU 12 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1ioc h LEU 12 CO -0.06 0.58 0.05 0.50 0.09 0.00 0.00 178.44 179.60 1ioc h LYS 13 N 0.96 0.81 -0.82 1.13 3.64 -0.45 -1.25 116.57 120.59 1ioc h LYS 13 Ca 0.29 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1ioc h LYS 13 Cb -0.02 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1ioc h LYS 13 CO -0.08 0.83 0.54 -0.09 -2.27 0.00 0.00 179.45 178.38 1ioc h ARG 14 N 0.67 1.09 -0.05 1.90 2.43 0.56 -2.09 114.38 118.88 1ioc h ARG 14 Ca 0.14 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ioc h ARG 14 Cb 0.43 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ioc h ARG 14 CO 0.01 0.73 0.00 1.28 -1.51 0.00 0.00 179.97 180.48 1ioc n LEU 15 N -4.50 0.05 -0.56 3.80 4.77 0.28 -4.89 117.00 115.95 1ioc n LEU 15 Ca 0.08 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 1ioc n LEU 15 Cb 0.02 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ioc n LEU 15 CO 0.36 0.01 -0.06 0.61 -1.33 0.00 0.00 177.39 176.98 1ioc n GLY 16 N 0.41 0.19 0.13 -0.72 0.00 -0.79 -4.96 105.19 99.45 1ioc n GLY 16 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.39 1ioc n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ioc h MET 17 N 0.00 0.00 -6.42 1.61 2.86 -1.42 -3.40 114.93 108.17 1ioc h MET 17 Ca -0.12 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.97 1ioc h MET 17 Cb 1.06 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.67 1ioc h MET 17 CO 0.14 0.23 1.12 0.34 1.06 0.00 0.00 176.91 179.80 1ioc s ASP 18 N -5.92 6.13 0.00 1.22 2.15 -1.26 -2.09 116.67 116.90 1ioc s ASP 18 Ca 0.01 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.57 1ioc s ASP 18 Cb 0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1ioc s ASP 18 CO 0.77 -1.65 0.00 0.61 -0.17 0.00 0.00 175.17 174.73 1ioc n GLY 19 N 5.23 0.89 3.67 2.66 0.00 0.13 -4.87 105.19 112.91 1ioc n GLY 19 Ca 0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 1ioc n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ioc n TYR 20 N -2.00 2.16 -1.99 1.61 9.36 -0.89 0.88 117.16 126.30 1ioc n TYR 20 Ca 0.00 0.25 -0.18 0.00 3.32 0.00 0.00 57.90 61.29 1ioc n TYR 20 Cb 0.00 -2.55 -0.04 0.00 -0.63 0.00 0.00 39.34 36.12 1ioc n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ioc n ARG 21 N 4.92 -1.64 -1.00 2.98 3.00 -1.26 -0.54 116.66 123.12 1ioc n ARG 21 Ca 0.21 0.96 0.00 0.00 -0.01 0.00 0.00 57.85 59.01 1ioc n ARG 21 Cb 0.25 -5.46 0.00 0.00 0.00 0.00 0.00 32.46 27.25 1ioc n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ioc n GLY 22 N -0.65 0.46 3.59 -0.13 0.00 0.26 -5.00 105.19 103.71 1ioc n GLY 22 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1ioc n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ioc s ILE 23 N -1.92 5.16 0.72 -0.61 1.01 0.30 -4.86 121.20 121.00 1ioc s ILE 23 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 1ioc s ILE 23 Cb 0.00 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1ioc s ILE 23 CO 0.00 0.08 1.07 -0.94 0.00 0.00 0.00 174.94 175.16 1ioc s SER 24 N 1.67 5.01 0.21 3.58 1.04 -1.26 0.21 113.70 124.16 1ioc s SER 24 Ca 0.15 1.73 -0.10 0.00 0.48 0.00 0.00 55.95 58.20 1ioc s SER 24 Cb -0.16 -2.51 0.16 0.00 0.10 0.00 0.00 66.02 63.61 1ioc s SER 24 CO 0.11 -1.69 1.88 0.25 0.98 0.00 0.00 173.24 174.76 1ioc h LEU 25 N -0.82 0.84 -1.66 2.42 5.85 -1.90 -1.69 115.31 118.35 1ioc h LEU 25 Ca -0.44 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.38 1ioc h LEU 25 Cb 1.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1ioc h LEU 25 CO 0.54 0.61 0.42 0.00 -0.34 0.00 0.00 178.44 179.67 1ioc h ALA 26 N 1.27 2.08 -0.06 1.25 0.00 -1.92 0.16 119.26 122.04 1ioc h ALA 26 Ca 0.27 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 1ioc h ALA 26 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ioc h ALA 26 CO -0.06 -0.23 -0.83 -0.91 0.00 0.00 0.00 179.25 177.21 1ioc h ASN 27 N 0.37 0.60 0.37 0.00 2.35 -1.66 0.12 115.58 117.73 1ioc h ASN 27 Ca 0.30 -0.43 -0.14 0.00 -0.55 0.00 0.00 56.30 55.47 1ioc h ASN 27 Cb 0.65 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1ioc h ASN 27 CO -0.08 1.20 -0.60 -0.50 -1.65 0.00 0.00 177.43 175.80 1ioc h TRP 28 N 0.31 0.29 -0.13 1.19 4.06 -0.45 -1.05 115.95 120.17 1ioc h TRP 28 Ca -0.06 -0.11 -0.16 0.00 2.06 0.00 0.00 58.89 60.63 1ioc h TRP 28 Cb 1.44 -0.05 0.01 0.00 -1.00 0.00 0.00 29.16 29.56 1ioc h TRP 28 CO 0.06 0.77 -0.53 0.52 -3.56 0.00 0.00 178.44 175.70 1ioc h MET 29 N 0.17 0.59 -0.67 0.49 2.86 -0.68 -1.11 114.93 116.58 1ioc h MET 29 Ca -0.01 -0.46 -0.04 0.00 -2.06 0.00 0.00 59.70 57.14 1ioc h MET 29 Cb 1.10 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1ioc h MET 29 CO 0.09 1.08 0.26 0.00 1.06 0.00 0.00 176.91 179.41 1ioc h LEU 31 N 0.96 -0.48 -0.94 0.00 5.85 -1.05 -2.71 115.31 116.94 1ioc h LEU 31 Ca 0.22 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.00 1ioc h LEU 31 Cb 0.19 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 1ioc h LEU 31 CO -0.02 -0.17 0.55 0.00 -0.34 0.00 0.00 178.44 178.46 1ioc h ALA 32 N -0.35 1.45 0.59 1.25 0.00 -1.09 0.12 119.26 121.23 1ioc h ALA 32 Ca -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ioc h ALA 32 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ioc h ALA 32 CO 0.10 0.04 -0.39 -0.22 0.00 0.00 0.00 179.25 178.78 1ioc h LYS 33 N 0.80 -0.89 0.00 0.00 1.63 -1.18 0.27 116.57 117.20 1ioc h LYS 33 Ca 0.50 0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.35 1ioc h LYS 33 Cb 0.63 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1ioc h LYS 33 CO -0.32 -0.59 -0.02 -1.49 -3.45 0.00 0.00 179.45 173.57 1ioc h TRP 34 N -0.92 0.00 0.00 1.91 4.06 -1.25 0.27 115.95 120.01 1ioc h TRP 34 Ca -0.08 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.81 1ioc h TRP 34 Cb 0.75 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.90 1ioc h TRP 34 CO -0.08 0.02 -0.34 1.49 -3.56 0.00 0.00 178.44 175.97 1ioc h GLU 35 N 0.00 0.00 0.00 0.49 4.57 -0.55 -3.43 114.58 115.66 1ioc h GLU 35 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ioc h GLU 35 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1ioc h GLU 35 CO 0.00 0.79 0.00 -1.13 -1.18 0.00 0.00 179.01 177.49 1ioc n SER 36 N -4.59 0.15 -1.22 1.04 3.41 0.85 -4.87 113.62 108.40 1ioc n SER 36 Ca -0.14 -0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 57.88 1ioc n SER 36 Cb 0.45 0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 64.88 1ioc n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ioc n GLY 37 N 0.49 0.15 2.42 5.00 0.00 0.94 -2.27 105.19 111.93 1ioc n GLY 37 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1ioc n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ioc n TYR 38 N -3.76 0.00 -2.93 1.61 0.53 -1.18 -4.82 117.16 106.61 1ioc n TYR 38 Ca -0.13 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.32 1ioc n TYR 38 Cb 0.56 -2.08 -0.05 0.00 -1.03 0.00 0.00 39.34 36.74 1ioc n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ioc s ASN 39 N -2.68 6.29 0.38 7.72 2.47 -0.96 -1.21 114.94 126.95 1ioc s ASN 39 Ca 0.00 -0.57 0.27 0.00 0.42 0.00 0.00 52.86 52.97 1ioc s ASN 39 Cb 0.00 -2.39 1.33 0.00 -1.45 0.00 0.00 41.25 38.74 1ioc s ASN 39 CO 0.00 -1.16 1.81 0.71 -3.72 0.00 0.00 177.10 174.74 1ioc h THR 40 N 5.97 0.00 -0.30 -5.21 1.35 -1.47 -1.00 112.91 112.25 1ioc h THR 40 Ca -0.27 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1ioc h THR 40 Cb 1.08 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1ioc h THR 40 CO 1.06 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.87 1ioc n ARG 41 N -2.44 2.42 -1.72 4.72 5.12 -1.26 -4.01 116.66 119.48 1ioc n ARG 41 Ca -0.01 -2.18 -0.42 0.00 -1.93 0.00 0.00 57.85 53.31 1ioc n ARG 41 Cb 0.11 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 29.89 1ioc n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ioc s ALA 42 N -1.57 3.74 0.04 7.54 0.00 -0.38 -4.37 121.76 126.76 1ioc s ALA 42 Ca 0.35 1.42 0.04 0.00 0.00 0.00 0.00 51.96 53.77 1ioc s ALA 42 Cb 0.22 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1ioc s ALA 42 CO 0.31 -1.26 -0.11 0.95 0.00 0.00 0.00 175.76 175.64 1ioc s THR 43 N 2.93 0.86 -0.18 0.00 -4.23 -1.26 -0.01 115.64 113.75 1ioc s THR 43 Ca 0.81 -0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1ioc s THR 43 Cb -0.45 -0.81 0.09 0.00 1.34 0.00 0.00 72.50 72.66 1ioc s THR 43 CO 0.37 -0.11 0.27 0.20 -0.54 0.00 0.00 174.62 174.81 1ioc s ASN 44 N -1.17 0.71 -0.04 3.99 -0.87 -0.46 -4.94 114.94 112.15 1ioc s ASN 44 Ca -0.02 0.23 -0.30 0.00 -1.57 0.00 0.00 52.86 51.20 1ioc s ASN 44 Cb -0.08 0.66 -0.03 0.00 -0.02 0.00 0.00 41.25 41.79 1ioc s ASN 44 CO 0.01 -0.28 1.07 -0.47 -2.57 0.00 0.00 177.10 174.85 1ioc s TYR 45 N 2.41 3.47 -0.57 2.20 6.14 -1.26 -0.53 117.35 129.21 1ioc s TYR 45 Ca 0.05 1.51 -0.15 0.00 0.64 0.00 0.00 57.07 59.12 1ioc s TYR 45 Cb -0.14 -3.25 0.14 0.00 0.42 0.00 0.00 41.96 39.13 1ioc s TYR 45 CO -0.11 -0.53 0.51 -0.80 0.64 0.00 0.00 175.55 175.26 1ioc s ASN 46 N 1.15 6.19 0.62 4.32 -0.87 0.30 -4.93 114.94 121.72 1ioc s ASN 46 Ca 0.52 -1.92 0.38 0.00 -1.57 0.00 0.00 52.86 50.27 1ioc s ASN 46 Cb -0.22 -2.18 2.05 0.00 -0.02 0.00 0.00 41.25 40.88 1ioc s ASN 46 CO 0.23 -0.80 2.27 0.00 -2.57 0.00 0.00 177.10 176.23 1ioc h ALA 47 N 8.69 1.17 -0.33 0.60 0.00 -1.94 -1.06 119.26 126.39 1ioc h ALA 47 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ioc h ALA 47 Cb 1.09 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ioc h ALA 47 CO 0.98 0.02 0.17 0.78 0.00 0.00 0.00 179.25 181.21 1ioc h GLY 48 N 0.31 0.48 -2.23 0.00 0.00 -1.93 -3.28 103.07 96.42 1ioc h GLY 48 Ca -0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 1ioc h GLY 48 CO 0.00 0.19 -0.77 2.09 0.00 0.00 0.00 176.54 178.06 1ioc n ASP 49 N -4.44 0.48 -1.19 0.19 5.75 -1.11 -4.99 116.55 111.24 1ioc n ASP 49 Ca 0.02 -1.95 -0.13 0.00 -0.01 0.00 0.00 54.79 52.71 1ioc n ASP 49 Cb 0.10 -0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 39.93 1ioc n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ioc n ARG 50 N 0.29 -1.48 -2.72 0.11 1.74 -0.44 -4.69 116.66 109.47 1ioc n ARG 50 Ca 0.01 0.84 -0.24 0.00 -0.77 0.00 0.00 57.85 57.69 1ioc n ARG 50 Cb 0.95 -5.09 0.02 0.00 -1.02 0.00 0.00 32.46 27.32 1ioc n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ioc s SER 51 N -2.21 5.71 0.01 0.55 1.04 -0.97 -4.46 113.70 113.38 1ioc s SER 51 Ca 0.00 0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.90 1ioc s SER 51 Cb 0.00 -1.58 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 1ioc s SER 51 CO 0.00 -0.87 -0.04 -0.89 0.98 0.00 0.00 173.24 172.41 1ioc s THR 52 N -2.75 0.31 -0.14 2.02 2.01 -1.26 0.11 115.64 115.94 1ioc s THR 52 Ca 0.51 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1ioc s THR 52 Cb -0.10 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1ioc s THR 52 CO 0.41 -0.15 0.15 -1.81 -0.69 0.00 0.00 174.62 172.53 1ioc s ASP 53 N -0.73 6.36 0.04 3.53 1.01 0.30 -1.17 116.67 126.02 1ioc s ASP 53 Ca -0.05 0.43 0.07 0.00 0.71 0.00 0.00 52.55 53.71 1ioc s ASP 53 Cb -0.05 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1ioc s ASP 53 CO -0.00 0.34 -0.20 -0.31 0.21 0.00 0.00 175.17 175.21 1ioc s TYR 54 N -0.62 1.72 0.00 4.23 2.02 0.96 -1.36 117.35 124.30 1ioc s TYR 54 Ca 0.14 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1ioc s TYR 54 Cb -0.12 -1.02 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1ioc s TYR 54 CO 0.03 0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 1ioc n GLY 55 N 1.84 0.29 0.32 0.71 0.00 0.99 -1.72 105.19 107.61 1ioc n GLY 55 Ca -0.17 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.04 1ioc n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ioc h THR 56 N 0.00 0.16 -0.20 2.61 2.02 -1.73 0.07 112.91 115.84 1ioc h THR 56 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ioc h THR 56 Cb 0.00 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1ioc h THR 56 CO 0.00 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.39 1ioc n PHE 57 N -5.47 0.24 -3.74 3.16 3.01 -1.26 -3.82 117.46 109.58 1ioc n PHE 57 Ca 0.17 -0.12 -0.33 0.00 1.01 0.00 0.00 57.45 58.18 1ioc n PHE 57 Cb 0.55 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.06 1ioc n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ioc n GLN 58 N 1.18 -1.05 -2.86 -1.08 1.13 0.01 -4.92 117.38 109.79 1ioc n GLN 58 Ca 0.17 0.45 -0.40 0.00 -1.94 0.00 0.00 57.00 55.28 1ioc n GLN 58 Cb 0.55 -3.76 -0.05 0.00 0.11 0.00 0.00 30.24 27.08 1ioc n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ioc s ILE 59 N -3.42 4.43 -0.01 5.09 1.01 -0.70 -4.30 121.20 123.30 1ioc s ILE 59 Ca 0.43 1.87 -0.25 0.00 0.00 0.00 0.00 60.65 62.70 1ioc s ILE 59 Cb -0.17 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1ioc s ILE 59 CO 0.88 0.42 0.78 0.21 0.00 0.00 0.00 174.94 177.23 1ioc s ASN 60 N -0.56 7.15 0.53 3.58 3.84 -1.26 -0.03 114.94 128.19 1ioc s ASN 60 Ca 0.41 1.38 0.31 0.00 0.21 0.00 0.00 52.86 55.16 1ioc s ASN 60 Cb -0.23 -2.46 1.45 0.00 -0.55 0.00 0.00 41.25 39.46 1ioc s ASN 60 CO 0.28 -0.09 2.04 0.77 -2.79 0.00 0.00 177.10 177.30 1ioc h SER 61 N 6.35 0.00 1.10 -4.21 4.64 -1.32 0.05 113.55 120.16 1ioc h SER 61 Ca -0.42 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 1ioc h SER 61 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ioc h SER 61 CO 0.74 0.10 -0.16 -0.09 -0.87 0.00 0.00 176.83 176.54 1ioc h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.84 -3.39 114.38 116.35 1ioc h ARG 62 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ioc h ARG 62 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ioc h ARG 62 CO 0.01 0.16 -0.63 0.66 -1.51 0.00 0.00 179.97 178.66 1ioc n TYR 63 N -3.27 0.00 -0.11 2.20 4.02 -1.13 -0.61 117.16 118.27 1ioc n TYR 63 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.74 1ioc n TYR 63 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.65 1ioc n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ioc n TRP 64 N -1.71 0.00 -4.27 -0.72 7.02 -0.01 -1.32 117.44 116.43 1ioc n TRP 64 Ca 0.00 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.29 1ioc n TRP 64 Cb 0.31 -0.80 -0.13 0.00 -2.42 0.00 0.00 31.31 28.28 1ioc n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ioc s ASN 66 N -1.40 6.81 0.00 0.00 2.47 0.09 -4.24 114.94 118.68 1ioc s ASN 66 Ca 0.00 0.99 0.07 0.00 0.42 0.00 0.00 52.86 54.34 1ioc s ASN 66 Cb -0.09 -2.40 0.10 0.00 -1.45 0.00 0.00 41.25 37.42 1ioc s ASN 66 CO 0.02 -0.33 0.86 -0.90 -3.72 0.00 0.00 177.10 173.02 1ioc n ASP 67 N 5.13 1.90 -0.69 -4.21 5.75 -1.26 -0.97 116.55 122.19 1ioc n ASP 67 Ca 0.01 -1.50 -0.09 0.00 -0.01 0.00 0.00 54.79 53.20 1ioc n ASP 67 Cb 0.49 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.50 1ioc n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ioc n GLY 68 N 0.36 0.91 0.01 6.12 0.00 -1.26 -4.74 105.19 106.58 1ioc n GLY 68 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ioc n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ioc n LYS 69 N -0.90 0.42 -3.72 1.61 2.85 -1.26 -5.01 118.16 112.15 1ioc n LYS 69 Ca -0.09 -0.65 -0.37 0.00 -1.05 0.00 0.00 58.31 56.14 1ioc n LYS 69 Cb 0.53 -0.57 -0.11 0.00 -0.65 0.00 0.00 35.03 34.22 1ioc n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ioc s THR 70 N -0.15 3.51 0.12 0.58 2.01 -1.26 -4.85 115.64 115.61 1ioc s THR 70 Ca 0.00 -2.00 -0.35 0.00 0.31 0.00 0.00 61.69 59.65 1ioc s THR 70 Cb 0.00 -3.38 -0.16 0.00 0.01 0.00 0.00 72.50 68.97 1ioc s THR 70 CO 0.00 -0.72 1.37 -2.65 -0.69 0.00 0.00 174.62 171.94 1ioc n PRO 71 N 4.66 1.42 -3.38 4.92 -0.02 -1.26 -2.17 135.00 139.17 1ioc n PRO 71 Ca -0.03 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.77 1ioc n PRO 71 Cb 0.41 -2.17 0.07 0.00 -0.02 0.00 0.00 33.50 31.79 1ioc n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ioc n GLY 72 N 2.64 -0.28 3.92 -1.23 0.00 -1.26 -5.00 105.19 103.98 1ioc n GLY 72 Ca 0.17 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1ioc n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ioc s ALA 73 N -3.27 3.46 -0.05 4.61 0.00 -0.92 -4.97 121.76 120.62 1ioc s ALA 73 Ca 0.42 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1ioc s ALA 73 Cb -0.18 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1ioc s ALA 73 CO 0.61 -0.36 -0.11 0.54 0.00 0.00 0.00 175.76 176.44 1ioc s VAL 74 N -2.69 1.00 -1.13 0.00 0.11 0.22 -4.98 120.40 112.93 1ioc s VAL 74 Ca 0.47 -0.44 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 1ioc s VAL 74 Cb -0.10 -0.90 0.27 0.00 -1.53 0.00 0.00 36.38 34.12 1ioc s VAL 74 CO 0.43 0.31 1.29 -3.20 -3.33 0.00 0.00 175.10 170.61 1ioc n ASN 75 N 3.56 5.74 0.26 3.54 5.15 -1.26 -3.33 115.26 128.91 1ioc n ASN 75 Ca -0.21 -3.14 0.11 0.00 -0.60 0.00 0.00 54.58 50.73 1ioc n ASN 75 Cb 0.53 -1.37 0.69 0.00 -0.53 0.00 0.00 39.78 39.09 1ioc n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ioc h ALA 76 N 6.30 1.43 0.00 5.20 0.00 -1.14 -2.01 119.26 129.04 1ioc h ALA 76 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ioc h ALA 76 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ioc h ALA 76 CO 1.16 0.15 -0.68 0.00 0.00 0.00 0.00 179.25 179.89 1ioc n HIS 78 N -2.31 -2.08 -4.00 0.00 8.25 -0.76 -4.99 115.22 109.34 1ioc n HIS 78 Ca 0.03 0.88 -0.08 0.00 -0.26 0.00 0.00 57.72 58.29 1ioc n HIS 78 Cb 0.47 -4.88 -0.10 0.00 1.12 0.00 0.00 29.99 26.61 1ioc n HIS 78 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ioc s LEU 79 N -6.08 2.12 0.07 2.41 1.43 -1.26 -5.06 118.68 112.31 1ioc s LEU 79 Ca 0.02 -0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 52.19 1ioc s LEU 79 Cb -0.00 0.39 -0.07 0.00 0.03 0.00 0.00 46.19 46.54 1ioc s LEU 79 CO 0.69 -0.53 0.64 -0.55 0.23 0.00 0.00 176.35 176.83 1ioc s SER 80 N -2.38 7.13 0.53 2.29 0.15 -1.26 -0.73 113.70 119.42 1ioc s SER 80 Ca -0.01 1.34 0.24 0.00 0.70 0.00 0.00 55.95 58.22 1ioc s SER 80 Cb 0.01 -2.40 1.37 0.00 -1.71 0.00 0.00 66.02 63.30 1ioc s SER 80 CO -0.07 0.19 2.01 0.00 1.20 0.00 0.00 173.24 176.57 1ioc h SER 82 N 0.02 0.27 0.00 0.00 4.64 -1.92 0.17 113.55 116.73 1ioc h SER 82 Ca 0.24 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ioc h SER 82 Cb 0.93 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1ioc h SER 82 CO -0.01 0.29 -0.00 0.00 -0.87 0.00 0.00 176.83 176.24 1ioc h ALA 83 N 1.76 1.19 -0.44 5.18 0.00 -1.15 0.96 119.26 126.75 1ioc h ALA 83 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ioc h ALA 83 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ioc h ALA 83 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ioc n LEU 84 N -3.35 2.39 -0.51 0.00 4.77 0.60 -4.02 117.00 116.87 1ioc n LEU 84 Ca -0.03 -1.19 0.07 0.00 -0.03 0.00 0.00 56.01 54.82 1ioc n LEU 84 Cb 0.08 -0.30 0.14 0.00 -2.33 0.00 0.00 43.42 41.01 1ioc n LEU 84 CO 0.23 0.59 0.39 0.18 -1.33 0.00 0.00 177.39 177.44 1ioc n LEU 85 N 0.79 2.11 -4.76 2.23 4.77 0.33 -3.37 117.00 119.11 1ioc n LEU 85 Ca 0.15 -3.11 -0.29 0.00 -0.03 0.00 0.00 56.01 52.73 1ioc n LEU 85 Cb 0.38 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1ioc n LEU 85 CO 0.10 0.94 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.73 1ioc s GLN 86 N -2.41 2.79 0.51 3.23 -1.52 -1.25 -4.62 119.66 116.40 1ioc s GLN 86 Ca 0.32 -0.80 0.24 0.00 -1.95 0.00 0.00 55.36 53.17 1ioc s GLN 86 Cb 0.30 -2.65 1.33 0.00 -0.22 0.00 0.00 33.01 31.78 1ioc s GLN 86 CO -0.04 0.53 1.96 -0.44 -0.25 0.00 0.00 175.29 177.05 1ioc h ASP 87 N 3.03 0.10 -3.58 5.90 3.45 -1.95 -3.34 116.42 120.03 1ioc h ASP 87 Ca -0.47 0.01 -0.61 0.00 0.43 0.00 0.00 57.03 56.38 1ioc h ASP 87 Cb 1.18 -0.01 -0.12 0.00 -0.56 0.00 0.00 39.33 39.82 1ioc h ASP 87 CO 0.63 0.05 0.51 0.21 -1.57 0.00 0.00 179.24 179.07 1ioc s ASN 88 N -6.05 6.44 -0.08 6.45 3.84 -1.26 -4.92 114.94 119.37 1ioc s ASN 88 Ca -0.06 -0.03 0.06 0.00 0.21 0.00 0.00 52.86 53.03 1ioc s ASN 88 Cb 0.20 -2.43 0.30 0.00 -0.55 0.00 0.00 41.25 38.77 1ioc s ASN 88 CO 0.75 -1.04 0.99 2.30 -2.79 0.00 0.00 177.10 177.31 1ioc n ILE 89 N 6.30 0.94 0.34 -5.21 -5.35 -1.26 -4.38 119.36 110.74 1ioc n ILE 89 Ca 0.04 -0.50 -0.18 0.00 -0.27 0.00 0.00 62.75 61.84 1ioc n ILE 89 Cb 0.48 -0.34 -0.09 0.00 -1.74 0.00 0.00 39.64 37.95 1ioc n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ioc h ALA 90 N 2.84 -1.06 -0.84 -1.28 0.00 -1.92 0.14 119.26 117.16 1ioc h ALA 90 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ioc h ALA 90 Cb 0.96 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1ioc h ALA 90 CO 0.16 -1.12 0.56 -0.44 0.00 0.00 0.00 179.25 178.41 1ioc h ASP 91 N -1.00 0.95 -0.09 0.00 5.19 -1.84 -1.64 116.42 117.99 1ioc h ASP 91 Ca -0.07 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1ioc h ASP 91 Cb 0.83 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 1ioc h ASP 91 CO 0.02 0.69 0.04 0.00 -3.12 0.00 0.00 179.24 176.87 1ioc h ALA 92 N 1.48 0.12 -0.51 3.45 0.00 -1.69 -1.75 119.26 120.36 1ioc h ALA 92 Ca 0.31 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ioc h ALA 92 Cb -0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ioc h ALA 92 CO -0.07 -0.29 0.32 0.28 0.00 0.00 0.00 179.25 179.49 1ioc h VAL 93 N -0.00 1.09 -0.74 0.00 2.07 -0.45 -0.25 116.25 117.96 1ioc h VAL 93 Ca 0.03 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1ioc h VAL 93 Cb 0.16 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1ioc h VAL 93 CO -0.00 0.12 0.49 0.00 0.02 0.00 0.00 177.57 178.19 1ioc h ALA 94 N 1.21 1.58 -0.12 1.67 0.00 -1.04 0.51 119.26 123.07 1ioc h ALA 94 Ca 0.20 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1ioc h ALA 94 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ioc h ALA 94 CO -0.07 0.35 -0.40 0.00 0.00 0.00 0.00 179.25 179.13 1ioc h ALA 96 N 0.50 1.46 -0.28 0.00 0.00 -0.36 0.17 119.26 120.75 1ioc h ALA 96 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ioc h ALA 96 Cb 1.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ioc h ALA 96 CO 0.08 0.36 0.16 0.87 0.00 0.00 0.00 179.25 180.72 1ioc h LYS 97 N 1.09 0.38 -0.98 0.00 1.57 -0.80 -1.50 116.57 116.33 1ioc h LYS 97 Ca 0.45 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.22 1ioc h LYS 97 Cb 0.28 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1ioc h LYS 97 CO -0.19 0.32 0.64 -0.09 -0.57 0.00 0.00 179.45 179.56 1ioc h ARG 98 N 0.34 1.22 -0.07 3.15 9.65 -0.20 -2.53 114.38 125.95 1ioc h ARG 98 Ca 0.10 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1ioc h ARG 98 Cb 0.05 -0.28 -0.00 0.00 -1.39 0.00 0.00 29.97 28.35 1ioc h ARG 98 CO -0.02 0.81 0.04 0.28 2.80 0.00 0.00 179.97 183.89 1ioc h VAL 99 N 1.26 1.04 0.00 0.20 2.07 -0.10 -2.40 116.25 118.32 1ioc h VAL 99 Ca 0.39 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1ioc h VAL 99 Cb -0.03 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1ioc h VAL 99 CO -0.12 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.84 1ioc n VAL 100 N -5.03 0.00 0.55 2.57 0.24 -0.63 -2.63 118.33 113.40 1ioc n VAL 100 Ca -0.06 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.36 1ioc n VAL 100 Cb 0.04 -0.24 0.16 0.00 -1.47 0.00 0.00 33.84 32.33 1ioc n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ioc h ARG 101 N 0.00 0.00 -7.41 7.34 3.08 -1.00 -3.37 114.38 113.02 1ioc h ARG 101 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1ioc h ARG 101 Cb 0.00 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.17 1ioc h ARG 101 CO 0.00 0.00 0.32 -0.51 -1.07 0.00 0.00 179.97 178.71 1ioc s ASP 102 N -4.28 4.27 0.36 7.04 -0.00 -1.08 -4.92 116.67 118.06 1ioc s ASP 102 Ca 0.06 1.29 0.14 0.00 -0.00 0.00 0.00 52.55 54.04 1ioc s ASP 102 Cb 0.13 -2.00 1.01 0.00 -0.00 0.00 0.00 42.92 42.06 1ioc s ASP 102 CO 0.73 -2.11 1.73 -0.65 -0.00 0.00 0.00 175.17 174.87 1ioc h PRO 103 N -1.18 0.45 -0.00 8.23 0.11 -1.89 -1.71 132.00 136.00 1ioc h PRO 103 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ioc h PRO 103 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ioc h PRO 103 CO 0.59 0.30 -0.02 0.00 -0.21 0.00 0.00 178.00 178.66 1ioc n GLN 104 N -4.79 1.09 0.00 1.05 10.64 -1.26 -4.98 117.38 119.13 1ioc n GLN 104 Ca 0.27 -0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1ioc n GLN 104 Cb 0.85 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.73 1ioc n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ioc n GLY 105 N 1.10 2.75 0.00 2.61 0.00 -0.65 -1.62 105.19 109.39 1ioc n GLY 105 Ca 0.21 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1ioc n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ioc n ILE 106 N 0.00 0.33 1.19 -0.61 3.06 -1.26 -2.53 119.36 119.54 1ioc n ILE 106 Ca 0.00 0.08 0.12 0.00 -2.50 0.00 0.00 62.75 60.45 1ioc n ILE 106 Cb 0.00 -0.71 0.62 0.00 0.54 0.00 0.00 39.64 40.09 1ioc n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1ioc n ARG 107 N -1.33 0.41 0.07 9.51 1.74 -0.64 -3.09 116.66 123.33 1ioc n ARG 107 Ca 0.10 0.05 0.06 0.00 -0.77 0.00 0.00 57.85 57.29 1ioc n ARG 107 Cb 0.19 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.62 1ioc n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ioc h ALA 108 N 3.19 1.81 -2.14 7.54 0.00 -1.61 -3.39 119.26 124.66 1ioc h ALA 108 Ca 0.00 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 1ioc h ALA 108 Cb 0.19 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 1ioc h ALA 108 CO 0.00 0.17 0.26 -1.58 0.00 0.00 0.00 179.25 178.10 1ioc s TRP 109 N -5.37 3.05 0.18 0.00 0.51 -1.18 -4.96 118.94 111.17 1ioc s TRP 109 Ca -0.07 0.18 -0.14 0.00 -2.12 0.00 0.00 56.10 53.95 1ioc s TRP 109 Cb 0.17 -3.47 0.15 0.00 -0.81 0.00 0.00 33.47 29.52 1ioc s TRP 109 CO 0.72 -0.87 1.74 0.28 -0.51 0.00 0.00 176.95 178.30 1ioc h VAL 110 N 5.88 0.81 -0.96 4.03 2.07 -1.89 -1.30 116.25 124.88 1ioc h VAL 110 Ca -0.25 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.29 1ioc h VAL 110 Cb 1.09 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 1ioc h VAL 110 CO 0.92 0.05 0.61 0.00 0.02 0.00 0.00 177.57 179.17 1ioc h ALA 111 N 1.33 1.60 -0.46 1.67 0.00 -1.95 0.43 119.26 121.87 1ioc h ALA 111 Ca 0.22 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1ioc h ALA 111 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ioc h ALA 111 CO -0.26 0.17 0.04 2.35 0.00 0.00 0.00 179.25 181.56 1ioc h TRP 112 N 0.92 0.84 -0.61 0.00 7.01 -1.60 0.77 115.95 123.29 1ioc h TRP 112 Ca 0.46 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 61.32 1ioc h TRP 112 Cb 0.49 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 1ioc h TRP 112 CO -0.00 0.80 0.32 0.00 -2.79 0.00 0.00 178.44 176.77 1ioc h ARG 113 N 0.64 0.86 -0.01 2.65 3.08 -0.14 0.04 114.38 121.49 1ioc h ARG 113 Ca 0.13 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 1ioc h ARG 113 Cb 0.44 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ioc h ARG 113 CO 0.02 0.67 -0.93 -0.91 -1.07 0.00 0.00 179.97 177.75 1ioc h ASN 114 N 0.83 0.56 0.00 7.04 2.35 -0.07 -3.33 115.58 122.96 1ioc h ASN 114 Ca 0.21 -0.44 -0.37 0.00 -0.55 0.00 0.00 56.30 55.15 1ioc h ASN 114 Cb 0.07 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.20 1ioc h ASN 114 CO -0.03 1.24 -2.39 0.54 -1.65 0.00 0.00 177.43 175.14 1ioc n ARG 115 N -3.76 0.71 -0.11 0.81 5.12 0.25 -4.84 116.66 114.83 1ioc n ARG 115 Ca -0.07 0.07 -0.18 0.00 -1.93 0.00 0.00 57.85 55.74 1ioc n ARG 115 Cb 0.82 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.52 1ioc n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ioc n GLN 117 N -3.42 1.82 -0.71 0.00 7.27 -0.18 -2.36 117.38 119.79 1ioc n GLN 117 Ca -0.41 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.31 1ioc n GLN 117 Cb 0.89 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 31.18 1ioc n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ioc n ASN 118 N 2.97 -0.62 -4.82 1.69 5.03 -1.26 -4.96 115.26 113.30 1ioc n ASN 118 Ca 0.17 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.36 1ioc n ASN 118 Cb 0.26 -1.77 -0.05 0.00 -1.02 0.00 0.00 39.78 37.20 1ioc n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ioc s ARG 119 N -0.75 2.97 0.09 3.52 0.52 -1.00 -5.06 118.95 119.24 1ioc s ARG 119 Ca 0.00 -0.85 -0.31 0.00 -0.52 0.00 0.00 55.73 54.05 1ioc s ARG 119 Cb 0.00 -2.68 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 1ioc s ARG 119 CO 0.00 0.48 1.46 0.34 0.02 0.00 0.00 175.30 177.60 1ioc s ASP 120 N -3.17 6.77 0.00 0.23 -1.08 -1.26 -4.85 116.67 113.30 1ioc s ASP 120 Ca 0.32 2.34 0.00 0.00 -0.52 0.00 0.00 52.55 54.68 1ioc s ASP 120 Cb -0.10 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1ioc s ASP 120 CO 0.24 -0.73 0.61 1.33 0.52 0.00 0.00 175.17 177.15 1ioc n VAL 121 N 4.24 0.28 -0.31 1.11 0.24 -1.26 -4.78 118.33 117.86 1ioc n VAL 121 Ca 0.13 -0.60 0.21 0.00 -2.04 0.00 0.00 64.34 62.04 1ioc n VAL 121 Cb 0.42 0.91 0.49 0.00 -1.47 0.00 0.00 33.84 34.20 1ioc n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ioc h ARG 122 N 0.00 0.41 -1.10 7.34 3.08 -1.91 0.35 114.38 122.55 1ioc h ARG 122 Ca 0.00 -0.02 0.30 0.00 0.07 0.00 0.00 59.98 60.33 1ioc h ARG 122 Cb 0.20 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 1ioc h ARG 122 CO 0.00 0.27 0.74 -0.56 -1.07 0.00 0.00 179.97 179.36 1ioc h GLN 123 N 0.43 0.20 0.00 0.04 3.07 -1.96 -1.08 115.11 115.81 1ioc h GLN 123 Ca 0.56 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 59.24 1ioc h GLN 123 Cb 1.39 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.89 1ioc h GLN 123 CO -0.27 0.13 -0.24 1.88 0.09 0.00 0.00 178.83 180.42 1ioc h TYR 124 N 0.20 0.00 -0.01 0.06 0.05 -1.24 -3.14 116.97 112.90 1ioc h TYR 124 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 1ioc h TYR 124 Cb 1.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.59 1ioc h TYR 124 CO -0.00 0.24 -0.20 1.33 -1.05 0.00 0.00 178.16 178.48 1ioc n VAL 125 N -4.23 0.00 -1.99 -2.88 0.24 -0.45 -4.84 118.33 104.19 1ioc n VAL 125 Ca -0.02 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 1ioc n VAL 125 Cb 0.30 1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 1ioc n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ioc s GLN 126 N -1.31 4.24 0.00 7.34 1.11 -0.95 -2.63 119.66 127.46 1ioc s GLN 126 Ca 0.08 2.29 0.00 0.00 0.01 0.00 0.00 55.36 57.74 1ioc s GLN 126 Cb 0.08 -3.21 0.00 0.00 -1.01 0.00 0.00 33.01 28.86 1ioc s GLN 126 CO 0.24 -0.58 0.00 0.41 0.01 0.00 0.00 175.29 175.37 1ioc n GLY 127 N 3.72 3.08 0.18 3.09 0.00 -1.26 -4.91 105.19 109.08 1ioc n GLY 127 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1ioc n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ioc n GLY 129 N -0.86 -0.20 0.53 0.00 0.00 -1.26 -4.89 105.19 98.52 1ioc n GLY 129 Ca -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1ioc n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65