#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckh s VAL 2 N 0.00 3.34 0.55 3.15 1.01 -1.26 -1.11 120.40 126.07 1ckh s VAL 2 Ca 0.00 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.12 1ckh s VAL 2 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1ckh s VAL 2 CO 0.00 -0.41 1.21 -0.36 0.00 0.00 0.00 175.10 175.53 1ckh s PHE 3 N 1.24 2.54 0.25 5.22 0.40 -0.53 -5.01 117.98 122.08 1ckh s PHE 3 Ca 0.02 1.50 -0.11 0.00 -0.60 0.00 0.00 56.93 57.74 1ckh s PHE 3 Cb -0.21 -3.47 -0.08 0.00 0.51 0.00 0.00 43.02 39.77 1ckh s PHE 3 CO -0.02 -2.04 0.59 -1.21 0.70 0.00 0.00 175.22 173.24 1ckh s GLU 4 N -3.11 3.86 0.01 0.44 2.02 -1.26 -4.86 118.70 115.81 1ckh s GLU 4 Ca 0.73 0.38 -0.02 0.00 0.02 0.00 0.00 54.97 56.08 1ckh s GLU 4 Cb -0.30 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 1ckh s GLU 4 CO 0.35 0.29 1.04 -0.09 0.02 0.00 0.00 175.26 176.86 1ckh h ARG 5 N 2.54 -0.01 0.00 1.61 2.43 -1.96 -1.27 114.38 117.72 1ckh h ARG 5 Ca -0.47 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1ckh h ARG 5 Cb 1.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1ckh h ARG 5 CO 0.68 -0.01 -0.08 0.00 -1.51 0.00 0.00 179.97 179.06 1ckh h GLU 7 N 0.00 0.24 -0.54 0.00 4.81 -1.84 -2.15 114.58 115.09 1ckh h GLU 7 Ca -0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1ckh h GLU 7 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1ckh h GLU 7 CO 0.01 0.34 0.03 1.25 -0.73 0.00 0.00 179.01 179.92 1ckh h LEU 8 N 0.09 0.91 -0.42 1.64 5.85 -0.45 -2.11 115.31 120.83 1ckh h LEU 8 Ca 0.05 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1ckh h LEU 8 Cb 0.20 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1ckh h LEU 8 CO -0.00 0.97 0.15 0.00 -0.34 0.00 0.00 178.44 179.22 1ckh h ALA 9 N 0.97 0.49 -0.44 1.25 0.00 -1.02 0.20 119.26 120.71 1ckh h ALA 9 Ca 0.16 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1ckh h ALA 9 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ckh h ALA 9 CO 0.02 -0.24 -0.20 0.00 0.00 0.00 0.00 179.25 178.83 1ckh h ARG 10 N 0.31 0.88 -0.32 0.00 3.08 -1.38 -0.94 114.38 116.01 1ckh h ARG 10 Ca 0.19 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.90 1ckh h ARG 10 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1ckh h ARG 10 CO -0.19 1.00 0.18 1.15 -1.07 0.00 0.00 179.97 181.03 1ckh h THR 11 N 0.77 1.02 -0.53 2.04 2.02 -0.64 -0.39 112.91 117.19 1ckh h THR 11 Ca 0.11 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 1ckh h THR 11 Cb 0.74 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1ckh h THR 11 CO 0.06 0.07 0.15 -0.07 0.37 0.00 0.00 175.52 176.10 1ckh h LEU 12 N 0.37 0.79 -0.33 2.58 3.38 -0.33 -2.31 115.31 119.46 1ckh h LEU 12 Ca 0.13 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ckh h LEU 12 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1ckh h LEU 12 CO -0.07 0.80 0.21 0.50 0.09 0.00 0.00 178.44 179.96 1ckh h LYS 13 N 0.74 0.41 -0.53 1.13 3.64 -0.91 -2.02 116.57 119.02 1ckh h LYS 13 Ca 0.17 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1ckh h LYS 13 Cb 0.30 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1ckh h LYS 13 CO -0.00 0.27 0.35 0.00 -2.27 0.00 0.00 179.45 177.80 1ckh h ARG 14 N 0.42 0.56 -0.03 1.90 3.08 -0.91 0.48 114.38 119.88 1ckh h ARG 14 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ckh h ARG 14 Cb -0.02 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1ckh h ARG 14 CO -0.04 0.37 0.00 1.28 -1.07 0.00 0.00 179.97 180.51 1ckh n LEU 15 N -4.47 0.20 -0.50 3.04 4.77 -0.82 -4.89 117.00 114.33 1ckh n LEU 15 Ca 0.06 -0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1ckh n LEU 15 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1ckh n LEU 15 CO 0.35 0.05 -0.03 0.61 -1.33 0.00 0.00 177.39 177.04 1ckh n GLY 16 N 0.62 0.33 0.08 -0.72 0.00 0.16 -4.97 105.19 100.69 1ckh n GLY 16 Ca 0.04 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.47 1ckh n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ckh n MET 17 N -1.29 0.47 -2.14 1.61 2.81 -0.87 -4.43 117.12 113.27 1ckh n MET 17 Ca -0.03 0.07 -0.40 0.00 -1.81 0.00 0.00 57.70 55.53 1ckh n MET 17 Cb 0.53 -1.73 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 1ckh n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ckh s ASP 18 N -4.76 5.55 0.00 7.83 2.15 -1.26 -2.44 116.67 123.73 1ckh s ASP 18 Ca 0.01 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1ckh s ASP 18 Cb 0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1ckh s ASP 18 CO 0.78 -2.16 0.00 0.61 -0.17 0.00 0.00 175.17 174.23 1ckh n GLY 19 N 5.58 0.73 3.63 2.66 0.00 0.13 -4.91 105.19 113.01 1ckh n GLY 19 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 1ckh n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ckh n TYR 20 N -2.14 2.23 -3.94 1.61 9.36 -1.02 -1.00 117.16 122.26 1ckh n TYR 20 Ca 0.00 -0.10 -0.31 0.00 3.32 0.00 0.00 57.90 60.81 1ckh n TYR 20 Cb 0.00 -2.70 0.02 0.00 -0.63 0.00 0.00 39.34 36.03 1ckh n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ckh n ARG 21 N 7.51 -5.40 -0.97 2.98 5.12 -1.26 -1.82 116.66 122.83 1ckh n ARG 21 Ca 0.25 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 1ckh n ARG 21 Cb 0.35 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.18 1ckh n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ckh n GLY 22 N -1.68 0.64 3.59 -0.13 0.00 -0.17 -4.99 105.19 102.46 1ckh n GLY 22 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1ckh n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckh s ILE 23 N -2.71 5.07 0.83 -0.61 1.01 -0.75 -4.86 121.20 119.18 1ckh s ILE 23 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 60.65 61.15 1ckh s ILE 23 Cb 0.00 -3.85 0.09 0.00 0.01 0.00 0.00 42.46 38.71 1ckh s ILE 23 CO 0.00 -0.02 1.09 -0.94 0.00 0.00 0.00 174.94 175.08 1ckh s SER 24 N 1.65 4.00 0.22 3.58 1.04 -1.26 0.17 113.70 123.10 1ckh s SER 24 Ca 0.19 1.72 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 1ckh s SER 24 Cb -0.16 -2.39 0.19 0.00 0.10 0.00 0.00 66.02 63.76 1ckh s SER 24 CO 0.11 -2.34 1.82 0.25 0.98 0.00 0.00 173.24 174.06 1ckh h LEU 25 N -1.34 1.12 -1.76 2.42 5.85 -1.91 -2.16 115.31 117.52 1ckh h LEU 25 Ca -0.46 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.17 1ckh h LEU 25 Cb 1.25 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1ckh h LEU 25 CO 0.52 0.94 0.23 0.00 -0.34 0.00 0.00 178.44 179.79 1ckh h ALA 26 N 1.23 1.94 -0.18 1.25 0.00 -1.92 -0.71 119.26 120.88 1ckh h ALA 26 Ca 0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1ckh h ALA 26 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ckh h ALA 26 CO -0.04 0.00 -0.23 -0.91 0.00 0.00 0.00 179.25 178.07 1ckh h ASN 27 N 0.30 0.51 -0.71 0.00 2.35 -1.73 -1.48 115.58 114.82 1ckh h ASN 27 Ca 0.15 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 1ckh h ASN 27 Cb 0.20 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1ckh h ASN 27 CO -0.03 0.92 0.42 -0.50 -1.65 0.00 0.00 177.43 176.59 1ckh h TRP 28 N 0.12 0.95 -0.35 1.19 -0.00 -1.21 -0.71 115.95 115.95 1ckh h TRP 28 Ca 0.02 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.81 1ckh h TRP 28 Cb 0.80 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.64 1ckh h TRP 28 CO 0.09 0.64 -0.16 0.52 -0.00 0.00 0.00 178.44 179.53 1ckh h MET 29 N 1.00 0.72 -0.56 0.49 2.86 -1.11 -1.31 114.93 117.02 1ckh h MET 29 Ca 0.26 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1ckh h MET 29 Cb -0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1ckh h MET 29 CO -0.05 0.91 0.11 0.00 1.06 0.00 0.00 176.91 178.95 1ckh h LEU 31 N 0.85 -0.66 -1.42 0.00 5.85 -1.06 -2.59 115.31 116.28 1ckh h LEU 31 Ca 0.18 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.99 1ckh h LEU 31 Cb 0.34 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1ckh h LEU 31 CO 0.00 -0.30 0.52 0.00 -0.34 0.00 0.00 178.44 178.33 1ckh h ALA 32 N -0.86 1.90 -0.17 1.25 0.00 -1.22 0.15 119.26 120.32 1ckh h ALA 32 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ckh h ALA 32 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ckh h ALA 32 CO 0.13 -0.10 0.07 -0.22 0.00 0.00 0.00 179.25 179.14 1ckh h LYS 33 N 0.60 0.24 0.00 0.00 1.63 -1.03 -1.36 116.57 116.66 1ckh h LYS 33 Ca 0.38 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.97 1ckh h LYS 33 Cb 0.64 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.20 1ckh h LYS 33 CO -0.15 0.30 -0.93 -1.49 -3.45 0.00 0.00 179.45 173.73 1ckh h TRP 34 N 0.13 0.00 -0.12 1.91 4.06 -1.04 -0.88 115.95 120.01 1ckh h TRP 34 Ca 0.06 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.89 1ckh h TRP 34 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1ckh h TRP 34 CO -0.02 0.78 -0.39 0.93 -3.56 0.00 0.00 178.44 176.18 1ckh h GLU 35 N 0.00 0.47 0.00 0.49 4.39 -0.68 -3.42 114.58 115.84 1ckh h GLU 35 Ca -0.05 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1ckh h GLU 35 Cb 1.64 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1ckh h GLU 35 CO 0.09 0.97 0.00 -1.13 -1.16 0.00 0.00 179.01 177.79 1ckh n SER 36 N -4.32 0.00 -1.94 1.42 3.41 -0.54 -4.78 113.62 106.87 1ckh n SER 36 Ca -0.07 -1.00 -0.19 0.00 -0.26 0.00 0.00 58.87 57.35 1ckh n SER 36 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1ckh n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ckh n GLY 37 N 0.00 0.21 2.18 5.00 0.00 -0.33 -1.85 105.19 110.39 1ckh n GLY 37 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1ckh n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ckh n TYR 38 N -3.59 -0.43 -3.68 1.61 4.01 -1.17 -4.79 117.16 109.13 1ckh n TYR 38 Ca -0.21 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.15 1ckh n TYR 38 Cb 0.65 -2.31 -0.12 0.00 -0.31 0.00 0.00 39.34 37.26 1ckh n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1ckh s ASN 39 N -2.59 5.48 0.48 7.72 2.47 -0.77 -1.46 114.94 126.27 1ckh s ASN 39 Ca 0.00 -0.39 0.28 0.00 0.42 0.00 0.00 52.86 53.17 1ckh s ASN 39 Cb 0.00 -1.99 1.02 0.00 -1.45 0.00 0.00 41.25 38.83 1ckh s ASN 39 CO 0.00 -0.14 1.86 0.71 -3.72 0.00 0.00 177.10 175.81 1ckh h THR 40 N 5.61 0.26 -0.74 -5.21 1.35 -1.42 -2.97 112.91 109.78 1ckh h THR 40 Ca -0.34 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1ckh h THR 40 Cb 1.16 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1ckh h THR 40 CO 0.60 0.11 0.00 -2.11 -0.25 0.00 0.00 175.52 173.87 1ckh n ARG 41 N -3.22 2.77 -2.03 4.72 1.85 -1.26 -3.98 116.66 115.51 1ckh n ARG 41 Ca 0.01 -2.70 -0.41 0.00 -1.00 0.00 0.00 57.85 53.75 1ckh n ARG 41 Cb 0.40 -1.59 -0.02 0.00 -1.05 0.00 0.00 32.46 30.19 1ckh n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ckh s ALA 42 N -1.03 3.59 -0.02 2.89 0.00 -1.17 -4.81 121.76 121.19 1ckh s ALA 42 Ca 0.50 1.32 -0.06 0.00 0.00 0.00 0.00 51.96 53.71 1ckh s ALA 42 Cb 0.26 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1ckh s ALA 42 CO 0.34 -0.73 0.14 0.95 0.00 0.00 0.00 175.76 176.46 1ckh s THR 43 N -0.36 0.05 -0.15 0.00 -4.23 -1.26 -0.71 115.64 108.98 1ckh s THR 43 Ca 0.56 -0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1ckh s THR 43 Cb -0.41 -0.33 0.06 0.00 1.34 0.00 0.00 72.50 73.16 1ckh s THR 43 CO 0.47 -0.21 0.13 0.20 -0.54 0.00 0.00 174.62 174.67 1ckh s ASN 44 N -0.72 1.74 0.34 3.99 0.02 -0.72 -4.96 114.94 114.62 1ckh s ASN 44 Ca -0.08 -0.30 -0.25 0.00 -1.02 0.00 0.00 52.86 51.20 1ckh s ASN 44 Cb -0.05 0.00 -0.10 0.00 0.02 0.00 0.00 41.25 41.12 1ckh s ASN 44 CO 0.01 -0.32 0.95 -0.47 0.02 0.00 0.00 177.10 177.29 1ckh s TYR 45 N 2.21 3.63 -0.40 2.20 5.04 -1.26 -0.55 117.35 128.23 1ckh s TYR 45 Ca 0.04 1.76 0.04 0.00 -2.44 0.00 0.00 57.07 56.46 1ckh s TYR 45 Cb -0.15 -2.93 0.11 0.00 0.35 0.00 0.00 41.96 39.34 1ckh s TYR 45 CO -0.09 0.13 0.12 -0.80 -1.34 0.00 0.00 175.55 173.57 1ckh s ASN 46 N -1.67 4.59 0.48 4.32 0.01 0.21 -4.95 114.94 117.93 1ckh s ASN 46 Ca 0.52 -2.43 0.13 0.00 -0.71 0.00 0.00 52.86 50.37 1ckh s ASN 46 Cb -0.18 -1.61 1.12 0.00 0.41 0.00 0.00 41.25 40.99 1ckh s ASN 46 CO 0.23 -0.33 2.11 0.00 -1.51 0.00 0.00 177.10 177.60 1ckh h ALA 47 N 7.25 1.88 -0.86 0.60 0.00 -1.94 0.21 119.26 126.40 1ckh h ALA 47 Ca -0.05 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.99 1ckh h ALA 47 Cb 0.98 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 1ckh h ALA 47 CO 0.57 0.10 0.44 0.78 0.00 0.00 0.00 179.25 181.15 1ckh h GLY 48 N 0.21 1.42 0.00 0.00 0.00 -1.95 -3.17 103.07 99.59 1ckh h GLY 48 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1ckh h GLY 48 CO -0.01 -0.07 0.00 2.09 0.00 0.00 0.00 176.54 178.55 1ckh n ASP 49 N -4.89 0.99 -0.06 0.19 5.75 -1.09 -5.02 116.55 112.43 1ckh n ASP 49 Ca 0.18 -1.45 -0.01 0.00 -0.01 0.00 0.00 54.79 53.50 1ckh n ASP 49 Cb 0.47 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1ckh n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ckh n ARG 50 N -0.23 -0.91 -2.56 0.11 1.74 0.72 -4.80 116.66 110.74 1ckh n ARG 50 Ca 0.00 0.28 -0.23 0.00 -0.77 0.00 0.00 57.85 57.13 1ckh n ARG 50 Cb 0.33 -3.99 0.04 0.00 -1.02 0.00 0.00 32.46 27.81 1ckh n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ckh s SER 51 N -2.07 5.32 0.00 0.55 1.04 -1.16 -4.51 113.70 112.87 1ckh s SER 51 Ca 0.00 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.71 1ckh s SER 51 Cb 0.00 -1.18 -0.01 0.00 0.10 0.00 0.00 66.02 64.93 1ckh s SER 51 CO 0.00 -1.16 -0.05 -0.89 0.98 0.00 0.00 173.24 172.13 1ckh s THR 52 N -2.88 0.35 -0.19 2.02 2.01 -1.26 -0.62 115.64 115.07 1ckh s THR 52 Ca 0.56 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 62.04 1ckh s THR 52 Cb -0.10 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 1ckh s THR 52 CO 0.41 0.00 0.52 -1.81 -0.69 0.00 0.00 174.62 173.05 1ckh s ASP 53 N -0.36 6.58 -0.08 3.53 1.01 0.29 -1.57 116.67 126.06 1ckh s ASP 53 Ca -0.01 0.69 0.02 0.00 0.71 0.00 0.00 52.55 53.97 1ckh s ASP 53 Cb -0.03 -2.29 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 1ckh s ASP 53 CO -0.00 -0.17 -0.14 -0.31 0.21 0.00 0.00 175.17 174.76 1ckh s TYR 54 N 1.55 2.73 0.00 4.23 2.02 -0.07 -1.76 117.35 126.05 1ckh s TYR 54 Ca 0.24 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1ckh s TYR 54 Cb -0.15 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1ckh s TYR 54 CO 0.10 -0.00 0.00 0.41 -1.57 0.00 0.00 175.55 174.48 1ckh n GLY 55 N 2.85 -1.89 0.27 0.71 0.00 0.11 -1.34 105.19 105.91 1ckh n GLY 55 Ca -0.18 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.57 1ckh n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ckh h ILE 56 N 0.00 0.62 -0.15 -0.61 2.10 -1.66 -2.10 117.51 115.72 1ckh h ILE 56 Ca 0.00 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.55 1ckh h ILE 56 Cb 0.00 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1ckh h ILE 56 CO 0.00 0.09 0.00 0.49 -1.08 0.00 0.00 178.15 177.65 1ckh n PHE 57 N -3.78 0.19 -3.86 2.19 3.72 -1.26 -3.95 117.46 110.71 1ckh n PHE 57 Ca -0.02 -0.18 -0.32 0.00 -0.05 0.00 0.00 57.45 56.89 1ckh n PHE 57 Cb 0.19 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 1ckh n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ckh n GLN 58 N 0.70 -1.79 -2.58 -1.08 1.13 -0.79 -4.90 117.38 108.06 1ckh n GLN 58 Ca 0.09 0.37 -0.42 0.00 -1.94 0.00 0.00 57.00 55.10 1ckh n GLN 58 Cb 0.37 -4.01 -0.03 0.00 0.11 0.00 0.00 30.24 26.68 1ckh n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ckh s ILE 59 N -3.68 4.53 0.03 5.09 1.01 -0.45 -4.41 121.20 123.33 1ckh s ILE 59 Ca 0.30 1.82 -0.26 0.00 0.00 0.00 0.00 60.65 62.50 1ckh s ILE 59 Cb -0.12 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1ckh s ILE 59 CO 0.89 0.07 0.82 0.21 0.00 0.00 0.00 174.94 176.93 1ckh s ASN 60 N 1.16 7.25 0.19 3.58 3.84 -1.26 -0.89 114.94 128.80 1ckh s ASN 60 Ca 0.53 1.49 0.22 0.00 0.21 0.00 0.00 52.86 55.32 1ckh s ASN 60 Cb -0.23 -2.49 0.90 0.00 -0.55 0.00 0.00 41.25 38.88 1ckh s ASN 60 CO 0.24 -0.06 1.67 -1.54 -2.79 0.00 0.00 177.10 174.62 1ckh n SER 61 N 3.14 0.52 -0.19 -4.21 3.41 -0.61 -1.15 113.62 114.53 1ckh n SER 61 Ca -0.00 0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 59.21 1ckh n SER 61 Cb 0.50 -0.73 0.20 0.00 -0.26 0.00 0.00 64.21 63.92 1ckh n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ckh h ARG 62 N 0.00 0.96 0.00 4.33 9.65 -1.82 -3.40 114.38 124.10 1ckh h ARG 62 Ca 0.00 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 1ckh h ARG 62 Cb 0.37 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1ckh h ARG 62 CO 0.00 0.74 -1.16 0.66 2.80 0.00 0.00 179.97 183.01 1ckh n TYR 63 N -4.34 0.00 -0.03 2.20 4.01 -1.08 -0.21 117.16 117.71 1ckh n TYR 63 Ca 0.06 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.62 1ckh n TYR 63 Cb 0.13 -0.11 -0.14 0.00 -0.31 0.00 0.00 39.34 38.92 1ckh n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1ckh n TRP 64 N -2.60 0.93 -4.21 -0.72 7.02 -0.30 -0.23 117.44 117.32 1ckh n TRP 64 Ca -0.05 0.21 -0.15 0.00 -1.02 0.00 0.00 57.50 56.50 1ckh n TRP 64 Cb 0.55 -1.13 -0.10 0.00 -2.42 0.00 0.00 31.31 28.21 1ckh n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ckh s ASN 66 N -2.75 6.07 0.00 0.00 2.47 -0.26 -4.44 114.94 116.02 1ckh s ASN 66 Ca 0.11 0.17 0.00 0.00 0.42 0.00 0.00 52.86 53.55 1ckh s ASN 66 Cb -0.01 -2.07 0.00 0.00 -1.45 0.00 0.00 41.25 37.73 1ckh s ASN 66 CO 0.00 0.15 0.60 -0.90 -3.72 0.00 0.00 177.10 173.23 1ckh n ASP 67 N 3.72 1.16 0.00 -4.21 5.68 -1.26 -1.05 116.55 120.59 1ckh n ASP 67 Ca -0.16 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 1ckh n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1ckh n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckh n GLY 68 N -0.14 0.56 0.68 6.12 0.00 -1.26 -4.82 105.19 106.32 1ckh n GLY 68 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1ckh n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckh n LYS 69 N -2.00 1.84 -3.46 1.61 2.85 -1.26 -4.91 118.16 112.83 1ckh n LYS 69 Ca 0.00 -1.74 -0.39 0.00 -1.05 0.00 0.00 58.31 55.13 1ckh n LYS 69 Cb 0.00 -1.30 -0.10 0.00 -0.65 0.00 0.00 35.03 32.98 1ckh n LYS 69 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ckh s VAL 70 N -1.09 5.22 0.25 0.58 1.01 -1.26 -4.93 120.40 120.18 1ckh s VAL 70 Ca 0.22 0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 1ckh s VAL 70 Cb 0.13 -3.65 0.36 0.00 0.00 0.00 0.00 36.38 33.23 1ckh s VAL 70 CO 0.19 0.17 1.57 -0.65 0.00 0.00 0.00 175.10 176.38 1ckh h PRO 71 N 8.26 -0.01 -3.78 2.72 0.11 -1.90 -3.34 132.00 134.07 1ckh h PRO 71 Ca -0.33 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.24 1ckh h PRO 71 Cb 1.17 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.89 1ckh h PRO 71 CO 0.62 -0.01 -0.77 0.20 -0.21 0.00 0.00 178.00 177.83 1ckh s GLY 72 N -3.94 0.86 0.23 -0.55 0.00 -1.26 -5.12 107.32 97.55 1ckh s GLY 72 Ca -0.15 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.59 1ckh s GLY 72 CO 0.76 1.27 0.44 0.00 0.00 0.00 0.00 173.10 175.57 1ckh s ALA 73 N 1.73 -0.17 0.33 3.20 0.00 -1.25 -4.97 121.76 120.62 1ckh s ALA 73 Ca -0.02 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1ckh s ALA 73 Cb -0.17 1.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.94 1ckh s ALA 73 CO -0.07 -0.82 0.02 0.14 0.00 0.00 0.00 175.76 175.03 1ckh s VAL 74 N -4.01 1.45 -0.50 0.00 -7.23 0.71 -5.01 120.40 105.81 1ckh s VAL 74 Ca 0.22 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.42 1ckh s VAL 74 Cb 0.00 -2.74 0.23 0.00 0.56 0.00 0.00 36.38 34.44 1ckh s VAL 74 CO 0.08 -0.08 0.56 -3.20 -0.31 0.00 0.00 175.10 172.15 1ckh n ASN 75 N -0.71 1.50 -0.05 4.85 5.15 -1.20 -3.74 115.26 121.07 1ckh n ASN 75 Ca -0.04 -2.94 0.04 0.00 -0.60 0.00 0.00 54.58 51.05 1ckh n ASN 75 Cb 0.66 -0.65 0.39 0.00 -0.53 0.00 0.00 39.78 39.65 1ckh n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ckh h ALA 76 N 4.43 1.68 -0.01 5.20 0.00 -0.53 -1.66 119.26 128.37 1ckh h ALA 76 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ckh h ALA 76 Cb 0.80 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ckh h ALA 76 CO 0.59 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 180.08 1ckh n HIS 78 N -0.72 -1.79 -4.02 0.00 -0.00 -0.62 -4.95 115.22 103.12 1ckh n HIS 78 Ca 0.18 0.71 -0.11 0.00 -0.00 0.00 0.00 57.72 58.50 1ckh n HIS 78 Cb 0.24 -3.87 -0.11 0.00 -0.00 0.00 0.00 29.99 26.26 1ckh n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ckh s LEU 79 N -6.76 2.26 0.32 2.41 1.43 -1.26 -5.07 118.68 112.01 1ckh s LEU 79 Ca 0.11 -0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 1ckh s LEU 79 Cb -0.04 -0.02 -0.09 0.00 0.03 0.00 0.00 46.19 46.07 1ckh s LEU 79 CO 0.86 -0.27 1.01 -0.55 0.23 0.00 0.00 176.35 177.63 1ckh s SER 80 N -1.57 7.23 0.66 2.29 0.15 -1.26 -1.11 113.70 120.09 1ckh s SER 80 Ca -0.12 2.01 0.44 0.00 0.70 0.00 0.00 55.95 58.97 1ckh s SER 80 Cb -0.09 -2.60 2.36 0.00 -1.71 0.00 0.00 66.02 63.98 1ckh s SER 80 CO -0.01 -0.15 2.35 0.00 1.20 0.00 0.00 173.24 176.63 1ckh h SER 82 N 0.00 0.88 -0.16 0.00 0.87 -1.90 -0.87 113.55 112.37 1ckh h SER 82 Ca -0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1ckh h SER 82 Cb 0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1ckh h SER 82 CO 0.00 0.57 0.19 0.00 -0.53 0.00 0.00 176.83 177.06 1ckh h ALA 83 N 1.52 1.74 -0.40 6.23 0.00 -1.39 0.72 119.26 127.69 1ckh h ALA 83 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1ckh h ALA 83 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ckh h ALA 83 CO -0.13 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.13 1ckh n LEU 84 N -3.75 2.18 -0.09 0.00 4.77 -0.33 -3.73 117.00 116.04 1ckh n LEU 84 Ca 0.01 -1.09 0.01 0.00 -0.03 0.00 0.00 56.01 54.91 1ckh n LEU 84 Cb 0.30 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1ckh n LEU 84 CO 0.27 0.53 0.44 0.18 -1.33 0.00 0.00 177.39 177.48 1ckh n LEU 85 N 0.65 1.83 -4.82 2.23 4.77 0.25 -3.24 117.00 118.66 1ckh n LEU 85 Ca 0.13 -1.69 -0.32 0.00 -0.03 0.00 0.00 56.01 54.10 1ckh n LEU 85 Cb 0.35 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1ckh n LEU 85 CO 0.09 0.45 0.70 -1.10 -1.33 0.00 0.00 177.39 176.20 1ckh s GLN 86 N -0.73 3.69 0.35 3.23 -0.21 -1.24 -4.50 119.66 120.24 1ckh s GLN 86 Ca 0.03 1.07 0.10 0.00 0.02 0.00 0.00 55.36 56.59 1ckh s GLN 86 Cb 0.02 -2.09 0.65 0.00 1.00 0.00 0.00 33.01 32.58 1ckh s GLN 86 CO 0.02 -0.50 1.80 -0.44 -2.12 0.00 0.00 175.29 174.06 1ckh h ASP 87 N 0.74 0.10 -3.20 5.90 5.19 -1.94 -3.40 116.42 119.82 1ckh h ASP 87 Ca -0.47 -0.04 -0.58 0.00 -0.62 0.00 0.00 57.03 55.32 1ckh h ASP 87 Cb 1.20 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.61 1ckh h ASP 87 CO 0.60 0.45 0.73 0.21 -3.12 0.00 0.00 179.24 178.11 1ckh s ASN 88 N -6.91 6.98 0.00 6.45 3.84 -1.26 -4.89 114.94 119.15 1ckh s ASN 88 Ca -0.04 1.18 0.17 0.00 0.21 0.00 0.00 52.86 54.39 1ckh s ASN 88 Cb 0.14 -2.51 0.61 0.00 -0.55 0.00 0.00 41.25 38.94 1ckh s ASN 88 CO 0.74 -0.70 1.45 2.30 -2.79 0.00 0.00 177.10 178.10 1ckh n ILE 89 N 5.47 0.28 -0.18 -5.21 -5.35 -1.26 -4.44 119.36 108.67 1ckh n ILE 89 Ca 0.10 -0.36 -0.01 0.00 -0.27 0.00 0.00 62.75 62.21 1ckh n ILE 89 Cb 0.47 0.28 0.09 0.00 -1.74 0.00 0.00 39.64 38.74 1ckh n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ckh h ALA 90 N 3.87 0.69 -0.56 -1.28 0.00 -1.95 0.15 119.26 120.18 1ckh h ALA 90 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1ckh h ALA 90 Cb 0.44 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ckh h ALA 90 CO 0.00 -0.25 -0.03 -0.44 0.00 0.00 0.00 179.25 178.53 1ckh h ASP 91 N 0.32 0.97 -0.39 0.00 3.32 -1.86 -0.79 116.42 117.99 1ckh h ASP 91 Ca 0.29 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1ckh h ASP 91 Cb 0.37 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1ckh h ASP 91 CO -0.32 1.04 -0.00 0.00 -1.72 0.00 0.00 179.24 178.24 1ckh h ALA 92 N 1.05 1.11 -0.39 3.45 0.00 -1.55 -1.17 119.26 121.76 1ckh h ALA 92 Ca 0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1ckh h ALA 92 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ckh h ALA 92 CO 0.03 0.57 -0.14 0.28 0.00 0.00 0.00 179.25 179.99 1ckh h VAL 93 N 0.73 1.28 -0.93 0.00 2.07 -0.56 0.53 116.25 119.36 1ckh h VAL 93 Ca 0.14 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1ckh h VAL 93 Cb 0.45 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1ckh h VAL 93 CO 0.02 0.42 0.61 0.00 0.02 0.00 0.00 177.57 178.64 1ckh h ALA 94 N 0.82 1.40 -0.20 1.67 0.00 -0.52 -0.28 119.26 122.16 1ckh h ALA 94 Ca 0.09 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1ckh h ALA 94 Cb 0.68 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ckh h ALA 94 CO 0.05 0.51 -0.65 0.00 0.00 0.00 0.00 179.25 179.15 1ckh h ALA 96 N 0.59 1.45 -0.38 0.00 0.00 -0.40 1.00 119.26 121.53 1ckh h ALA 96 Ca -0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1ckh h ALA 96 Cb 1.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ckh h ALA 96 CO 0.14 0.49 -0.11 0.87 0.00 0.00 0.00 179.25 180.64 1ckh h LYS 97 N 1.07 0.74 -0.34 0.00 1.57 -1.02 -2.65 116.57 115.93 1ckh h LYS 97 Ca 0.31 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1ckh h LYS 97 Cb -0.06 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1ckh h LYS 97 CO -0.08 0.89 0.16 -0.09 -0.57 0.00 0.00 179.45 179.76 1ckh h ARG 98 N 0.54 0.33 -0.29 3.15 9.65 -0.77 -1.86 114.38 125.13 1ckh h ARG 98 Ca 0.09 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.01 1ckh h ARG 98 Cb 0.63 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.08 1ckh h ARG 98 CO 0.04 0.22 -0.05 0.28 2.80 0.00 0.00 179.97 183.26 1ckh h VAL 99 N 0.34 0.74 0.00 0.20 2.07 -0.74 -1.74 116.25 117.12 1ckh h VAL 99 Ca 0.14 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1ckh h VAL 99 Cb 0.06 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1ckh h VAL 99 CO -0.11 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.82 1ckh n VAL 100 N -5.22 0.83 0.40 2.57 0.24 -1.01 -2.26 118.33 113.89 1ckh n VAL 100 Ca -0.00 0.19 0.13 0.00 -2.04 0.00 0.00 64.34 62.62 1ckh n VAL 100 Cb 0.16 -0.98 0.51 0.00 -1.47 0.00 0.00 33.84 32.06 1ckh n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ckh h ARG 101 N 0.00 0.00 -7.41 7.34 3.08 -0.47 -3.36 114.38 113.56 1ckh h ARG 101 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1ckh h ARG 101 Cb 0.33 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.46 1ckh h ARG 101 CO 0.00 0.00 0.38 -0.51 -1.07 0.00 0.00 179.97 178.77 1ckh s ASP 102 N -4.55 5.51 0.20 7.04 1.11 -0.96 -4.97 116.67 120.05 1ckh s ASP 102 Ca 0.04 1.08 -0.21 0.00 0.18 0.00 0.00 52.55 53.65 1ckh s ASP 102 Cb 0.09 -1.93 0.15 0.00 1.07 0.00 0.00 42.92 42.30 1ckh s ASP 102 CO 0.44 -1.27 1.57 1.55 1.18 0.00 0.00 175.17 178.64 1ckh h PRO 103 N -0.56 -0.11 -0.76 8.23 0.13 -1.88 -1.76 132.00 135.30 1ckh h PRO 103 Ca -0.45 0.01 0.22 0.00 -0.87 0.00 0.00 66.00 64.91 1ckh h PRO 103 Cb 1.25 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1ckh h PRO 103 CO 0.63 -0.07 0.56 1.96 -0.23 0.00 0.00 178.00 180.85 1ckh h GLN 104 N -0.11 0.00 0.00 0.86 4.20 -1.91 -3.47 115.11 114.68 1ckh h GLN 104 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1ckh h GLN 104 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1ckh h GLN 104 CO -0.80 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 177.77 1ckh n GLY 105 N -1.68 1.94 0.15 3.46 0.00 -0.66 -1.89 105.19 106.51 1ckh n GLY 105 Ca 0.15 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.80 1ckh n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ckh n ILE 106 N 0.00 0.88 0.64 -0.61 0.13 -1.26 -2.46 119.36 116.69 1ckh n ILE 106 Ca 0.00 0.40 0.07 0.00 -1.10 0.00 0.00 62.75 62.12 1ckh n ILE 106 Cb 0.00 -1.36 0.35 0.00 -0.84 0.00 0.00 39.64 37.79 1ckh n ILE 106 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1ckh n ARG 107 N -2.28 0.17 -0.15 9.51 1.74 -0.79 -3.26 116.66 121.60 1ckh n ARG 107 Ca 0.01 0.17 0.07 0.00 -0.77 0.00 0.00 57.85 57.32 1ckh n ARG 107 Cb 0.17 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.48 1ckh n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ckh h ALA 108 N 2.64 1.73 -2.41 7.54 0.00 -1.68 -3.39 119.26 123.69 1ckh h ALA 108 Ca 0.00 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.28 1ckh h ALA 108 Cb 0.15 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.66 1ckh h ALA 108 CO 0.00 0.17 0.27 -1.58 0.00 0.00 0.00 179.25 178.11 1ckh s TRP 109 N -5.62 3.29 0.33 0.00 0.51 -1.20 -4.93 118.94 111.32 1ckh s TRP 109 Ca -0.09 0.93 0.03 0.00 -2.12 0.00 0.00 56.10 54.84 1ckh s TRP 109 Cb 0.19 -2.91 0.58 0.00 -0.81 0.00 0.00 33.47 30.52 1ckh s TRP 109 CO 0.76 -0.35 1.90 0.28 -0.51 0.00 0.00 176.95 179.04 1ckh h VAL 110 N 5.41 1.19 -0.49 4.03 2.07 -1.91 -2.06 116.25 124.49 1ckh h VAL 110 Ca -0.26 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1ckh h VAL 110 Cb 1.11 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1ckh h VAL 110 CO 0.81 0.24 0.27 0.00 0.02 0.00 0.00 177.57 178.91 1ckh h ALA 111 N 1.50 1.55 -0.26 1.67 0.00 -1.94 -1.32 119.26 120.45 1ckh h ALA 111 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ckh h ALA 111 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ckh h ALA 111 CO -0.01 0.38 0.08 2.35 0.00 0.00 0.00 179.25 182.06 1ckh h TRP 112 N 0.68 0.42 -0.43 0.00 7.01 -1.69 0.29 115.95 122.24 1ckh h TRP 112 Ca 0.18 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.17 1ckh h TRP 112 Cb 0.02 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 1ckh h TRP 112 CO 0.00 0.46 0.22 0.00 -2.79 0.00 0.00 178.44 176.33 1ckh h ARG 113 N 0.26 0.42 0.08 2.65 3.08 -1.24 0.12 114.38 119.76 1ckh h ARG 113 Ca 0.09 -0.03 -0.25 0.00 0.07 0.00 0.00 59.98 59.86 1ckh h ARG 113 Cb 0.24 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ckh h ARG 113 CO -0.00 0.28 -1.13 -0.91 -1.07 0.00 0.00 179.97 177.13 1ckh h ASN 114 N 0.43 0.41 -0.01 7.04 2.35 -1.16 -3.30 115.58 121.35 1ckh h ASN 114 Ca 0.18 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1ckh h ASN 114 Cb 0.09 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1ckh h ASN 114 CO -0.13 1.28 -0.05 0.54 -1.65 0.00 0.00 177.43 177.42 1ckh n ARG 115 N -3.58 0.82 0.00 0.81 1.74 0.08 -4.81 116.66 111.72 1ckh n ARG 115 Ca -0.07 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 1ckh n ARG 115 Cb 0.96 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.26 1ckh n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ckh n GLN 117 N -1.62 2.31 -3.95 0.00 7.27 0.15 -2.39 117.38 119.15 1ckh n GLN 117 Ca 0.00 0.83 -0.29 0.00 0.07 0.00 0.00 57.00 57.61 1ckh n GLN 117 Cb 0.19 -2.58 0.01 0.00 2.41 0.00 0.00 30.24 30.28 1ckh n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ckh n ASN 118 N 2.85 -3.21 -4.38 1.69 4.13 -1.26 -4.93 115.26 110.15 1ckh n ASN 118 Ca 0.13 -0.87 -0.19 0.00 1.68 0.00 0.00 54.58 55.34 1ckh n ASN 118 Cb 0.32 -3.57 -0.10 0.00 -1.54 0.00 0.00 39.78 34.89 1ckh n ASN 118 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ckh s ARG 119 N -6.56 1.43 -0.70 3.52 0.52 -1.01 -5.09 118.95 111.06 1ckh s ARG 119 Ca 0.47 -1.72 -0.24 0.00 -0.52 0.00 0.00 55.73 53.72 1ckh s ARG 119 Cb -0.24 -0.89 0.06 0.00 0.52 0.00 0.00 34.95 34.39 1ckh s ARG 119 CO 0.86 -0.02 1.08 0.34 0.02 0.00 0.00 175.30 177.58 1ckh s ASP 120 N -3.37 6.19 0.00 0.23 -1.08 -1.26 -4.85 116.67 112.52 1ckh s ASP 120 Ca 0.28 -0.85 0.23 0.00 -0.52 0.00 0.00 52.55 51.69 1ckh s ASP 120 Cb 0.04 -2.47 0.52 0.00 -1.46 0.00 0.00 42.92 39.56 1ckh s ASP 120 CO 0.10 -1.56 1.46 1.33 0.52 0.00 0.00 175.17 177.01 1ckh n VAL 121 N 6.08 0.68 -0.29 1.11 0.24 -1.26 -4.53 118.33 120.35 1ckh n VAL 121 Ca -0.00 -0.82 0.12 0.00 -2.04 0.00 0.00 64.34 61.59 1ckh n VAL 121 Cb 0.47 0.77 0.36 0.00 -1.47 0.00 0.00 33.84 33.97 1ckh n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ckh h ARG 122 N 4.34 0.71 -1.10 7.34 3.08 -1.93 -1.46 114.38 125.36 1ckh h ARG 122 Ca 0.00 -0.04 0.30 0.00 0.07 0.00 0.00 59.98 60.31 1ckh h ARG 122 Cb 0.97 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.79 1ckh h ARG 122 CO 0.00 0.47 0.74 -0.56 -1.07 0.00 0.00 179.97 179.55 1ckh h GLN 123 N 0.73 0.21 0.00 0.04 3.07 -1.96 -1.20 115.11 115.99 1ckh h GLN 123 Ca 0.48 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 59.19 1ckh h GLN 123 Cb 0.74 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.26 1ckh h GLN 123 CO -0.24 0.14 -0.08 1.88 0.09 0.00 0.00 178.83 180.62 1ckh h TYR 124 N 0.21 0.00 0.00 0.06 0.05 -1.61 -3.26 116.97 112.42 1ckh h TYR 124 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 1ckh h TYR 124 Cb 1.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.59 1ckh h TYR 124 CO -0.00 0.08 0.00 1.33 -1.05 0.00 0.00 178.16 178.52 1ckh n VAL 125 N -3.33 0.00 -2.04 -2.88 0.24 -0.50 -4.80 118.33 105.01 1ckh n VAL 125 Ca -0.01 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.34 61.48 1ckh n VAL 125 Cb 0.27 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 1ckh n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ckh s GLN 126 N -0.29 4.26 0.00 7.34 -1.52 -0.91 -2.10 119.66 126.44 1ckh s GLN 126 Ca 0.00 2.23 0.00 0.00 -1.95 0.00 0.00 55.36 55.64 1ckh s GLN 126 Cb 0.00 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 1ckh s GLN 126 CO 0.00 -0.54 0.00 0.41 -0.25 0.00 0.00 175.29 174.91 1ckh n GLY 127 N 3.65 1.17 0.04 3.09 0.00 -1.26 -4.92 105.19 106.97 1ckh n GLY 127 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1ckh n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckh n GLY 129 N 1.46 0.08 0.24 0.00 0.00 -1.26 -4.82 105.19 100.90 1ckh n GLY 129 Ca 0.07 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1ckh n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65