#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckf s VAL 2 N 0.00 3.44 0.65 3.15 1.01 -1.26 -0.90 120.40 126.49 1ckf s VAL 2 Ca 0.00 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 1ckf s VAL 2 Cb 0.00 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 1ckf s VAL 2 CO 0.00 -0.49 1.15 -0.36 0.00 0.00 0.00 175.10 175.39 1ckf s PHE 3 N 1.24 2.46 0.31 5.22 0.40 -0.12 -4.99 117.98 122.50 1ckf s PHE 3 Ca 0.04 1.56 -0.05 0.00 -0.60 0.00 0.00 56.93 57.87 1ckf s PHE 3 Cb -0.22 -3.29 -0.05 0.00 0.51 0.00 0.00 43.02 39.97 1ckf s PHE 3 CO -0.02 -1.95 0.59 -1.21 0.70 0.00 0.00 175.22 173.33 1ckf s GLU 4 N -3.86 3.64 0.00 0.44 2.02 -1.26 -4.85 118.70 114.83 1ckf s GLU 4 Ca 0.71 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1ckf s GLU 4 Cb -0.24 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1ckf s GLU 4 CO 0.40 0.16 0.95 -2.13 0.02 0.00 0.00 175.26 174.66 1ckf n ARG 5 N -1.08 0.00 0.17 1.61 0.63 -1.26 -1.80 116.66 114.93 1ckf n ARG 5 Ca -0.01 0.83 0.06 0.00 -0.92 0.00 0.00 57.85 57.81 1ckf n ARG 5 Cb 0.54 -1.45 0.56 0.00 0.45 0.00 0.00 32.46 32.56 1ckf n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ckf h GLU 7 N 0.19 0.88 -0.19 0.00 4.81 -1.87 -2.13 114.58 116.26 1ckf h GLU 7 Ca 0.05 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1ckf h GLU 7 Cb -0.00 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.18 1ckf h GLU 7 CO -0.01 0.58 -0.64 1.25 -0.73 0.00 0.00 179.01 179.47 1ckf h LEU 8 N 0.91 0.79 -0.51 1.64 5.85 -0.52 -2.34 115.31 121.13 1ckf h LEU 8 Ca 0.25 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1ckf h LEU 8 Cb -0.08 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 1ckf h LEU 8 CO -0.06 1.23 0.28 0.00 -0.34 0.00 0.00 178.44 179.54 1ckf h ALA 9 N 0.77 0.66 -0.48 1.25 0.00 -0.98 0.62 119.26 121.10 1ckf h ALA 9 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1ckf h ALA 9 Cb 1.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ckf h ALA 9 CO 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 179.25 179.18 1ckf h ARG 10 N 0.55 0.93 -0.42 0.00 3.08 -1.39 -1.63 114.38 115.49 1ckf h ARG 10 Ca 0.22 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1ckf h ARG 10 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1ckf h ARG 10 CO -0.13 1.01 0.21 1.15 -1.07 0.00 0.00 179.97 181.13 1ckf h THR 11 N 0.82 1.17 -0.46 2.04 2.02 -0.77 -1.07 112.91 116.67 1ckf h THR 11 Ca 0.12 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1ckf h THR 11 Cb 0.69 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1ckf h THR 11 CO 0.05 0.19 0.25 -0.07 0.37 0.00 0.00 175.52 176.31 1ckf h LEU 12 N 0.54 0.58 -1.00 2.58 3.38 -0.80 -2.28 115.31 118.31 1ckf h LEU 12 Ca 0.15 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ckf h LEU 12 Cb 0.11 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1ckf h LEU 12 CO -0.02 0.51 0.66 0.50 0.09 0.00 0.00 178.44 180.18 1ckf h LYS 13 N 0.61 1.30 0.00 1.13 3.64 -0.98 -1.24 116.57 121.02 1ckf h LYS 13 Ca 0.16 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1ckf h LYS 13 Cb 0.06 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1ckf h LYS 13 CO -0.03 0.86 -0.22 0.00 -2.27 0.00 0.00 179.45 177.80 1ckf h ARG 14 N 1.33 0.00 -0.46 1.90 3.08 -0.88 -2.63 114.38 116.72 1ckf h ARG 14 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1ckf h ARG 14 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1ckf h ARG 14 CO -0.09 0.22 0.00 1.28 -1.07 0.00 0.00 179.97 180.31 1ckf n LEU 15 N -3.48 2.29 -1.07 3.04 4.77 -0.49 -4.93 117.00 117.11 1ckf n LEU 15 Ca -0.01 -1.15 -0.08 0.00 -0.03 0.00 0.00 56.01 54.75 1ckf n LEU 15 Cb 0.38 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ckf n LEU 15 CO 0.33 0.49 -0.05 0.61 -1.33 0.00 0.00 177.39 177.43 1ckf n GLY 16 N 0.94 0.13 0.09 -0.72 0.00 -0.99 -4.97 105.19 99.66 1ckf n GLY 16 Ca 0.13 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1ckf n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ckf n MET 17 N -1.85 0.52 -1.84 1.61 2.81 -1.05 -4.50 117.12 112.82 1ckf n MET 17 Ca -0.07 0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.48 1ckf n MET 17 Cb 0.56 -1.75 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 1ckf n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ckf s ASP 18 N -4.92 5.55 -0.00 7.83 -1.08 -1.26 -1.92 116.67 120.87 1ckf s ASP 18 Ca 0.01 1.38 0.00 0.00 -0.52 0.00 0.00 52.55 53.41 1ckf s ASP 18 Cb 0.11 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1ckf s ASP 18 CO 0.79 -1.97 0.00 0.61 0.52 0.00 0.00 175.17 175.12 1ckf n GLY 19 N 5.61 0.49 3.66 2.66 0.00 -0.06 -4.94 105.19 112.61 1ckf n GLY 19 Ca 0.26 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.83 1ckf n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ckf n TYR 20 N -2.98 2.39 -3.93 1.61 9.36 -0.81 -0.81 117.16 122.00 1ckf n TYR 20 Ca -0.00 -0.21 -0.31 0.00 3.32 0.00 0.00 57.90 60.70 1ckf n TYR 20 Cb 0.01 -2.74 0.01 0.00 -0.63 0.00 0.00 39.34 35.99 1ckf n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ckf n ARG 21 N 7.29 -4.63 -0.99 2.98 5.12 -1.26 -1.43 116.66 123.74 1ckf n ARG 21 Ca 0.22 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 1ckf n ARG 21 Cb 0.36 -5.36 0.00 0.00 -1.16 0.00 0.00 32.46 26.30 1ckf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ckf n GLY 22 N -1.55 0.76 3.57 -0.13 0.00 0.01 -5.00 105.19 102.85 1ckf n GLY 22 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ckf n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckf s ILE 23 N -3.09 5.10 0.86 -0.61 1.01 -0.52 -4.90 121.20 119.05 1ckf s ILE 23 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.85 1ckf s ILE 23 Cb 0.00 -3.86 0.11 0.00 0.01 0.00 0.00 42.46 38.72 1ckf s ILE 23 CO 0.00 -0.08 1.09 -0.94 0.00 0.00 0.00 174.94 175.01 1ckf s SER 24 N 1.72 3.74 0.18 3.58 1.04 -1.26 -0.88 113.70 121.82 1ckf s SER 24 Ca 0.16 1.70 -0.12 0.00 0.48 0.00 0.00 55.95 58.17 1ckf s SER 24 Cb -0.16 -2.36 0.10 0.00 0.10 0.00 0.00 66.02 63.70 1ckf s SER 24 CO 0.12 -2.50 1.80 0.25 0.98 0.00 0.00 173.24 173.88 1ckf h LEU 25 N -1.45 0.80 -1.68 2.42 5.85 -1.92 -2.53 115.31 116.79 1ckf h LEU 25 Ca -0.47 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.21 1ckf h LEU 25 Cb 1.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1ckf h LEU 25 CO 0.52 0.67 0.31 0.00 -0.34 0.00 0.00 178.44 179.60 1ckf h ALA 26 N 1.17 1.93 -0.26 1.25 0.00 -1.93 -1.18 119.26 120.24 1ckf h ALA 26 Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ckf h ALA 26 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ckf h ALA 26 CO -0.04 -0.01 -0.06 -0.91 0.00 0.00 0.00 179.25 178.23 1ckf h ASN 27 N 0.39 0.51 -0.34 0.00 2.35 -1.78 -1.45 115.58 115.25 1ckf h ASN 27 Ca 0.20 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1ckf h ASN 27 Cb 0.30 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1ckf h ASN 27 CO -0.05 0.75 -0.02 -0.50 -1.65 0.00 0.00 177.43 175.96 1ckf h TRP 28 N 0.25 0.77 -0.33 1.19 4.06 -1.16 -1.54 115.95 119.19 1ckf h TRP 28 Ca 0.07 -0.11 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1ckf h TRP 28 Cb 0.53 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1ckf h TRP 28 CO 0.05 0.73 0.04 0.52 -3.56 0.00 0.00 178.44 176.22 1ckf h MET 29 N 0.68 0.57 -0.86 0.49 2.86 -1.16 -0.65 114.93 116.86 1ckf h MET 29 Ca 0.13 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1ckf h MET 29 Cb 0.45 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1ckf h MET 29 CO 0.02 0.66 0.46 0.00 1.06 0.00 0.00 176.91 179.11 1ckf h LEU 31 N 1.20 -0.28 -0.56 0.00 5.85 -1.11 -1.37 115.31 119.05 1ckf h LEU 31 Ca 0.30 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ckf h LEU 31 Cb 0.05 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1ckf h LEU 31 CO -0.05 -0.03 0.35 0.00 -0.34 0.00 0.00 178.44 178.37 1ckf h ALA 32 N 0.18 0.71 0.25 1.25 0.00 -0.89 0.14 119.26 120.90 1ckf h ALA 32 Ca -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ckf h ALA 32 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ckf h ALA 32 CO 0.05 0.18 -0.33 -0.22 0.00 0.00 0.00 179.25 178.94 1ckf h LYS 33 N 0.75 -0.61 0.00 0.00 1.63 -0.73 -1.51 116.57 116.10 1ckf h LYS 33 Ca 0.20 0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.95 1ckf h LYS 33 Cb -0.04 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1ckf h LYS 33 CO -0.04 -0.41 -0.45 -1.49 -3.45 0.00 0.00 179.45 173.62 1ckf h TRP 34 N -0.63 0.00 -0.02 1.91 4.06 -1.10 0.16 115.95 120.33 1ckf h TRP 34 Ca -0.00 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.76 1ckf h TRP 34 Cb 0.60 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1ckf h TRP 34 CO -0.23 0.45 -0.72 0.93 -3.56 0.00 0.00 178.44 175.31 1ckf h GLU 35 N 0.00 0.52 0.00 0.49 4.39 -0.56 -3.42 114.58 115.99 1ckf h GLU 35 Ca -0.00 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1ckf h GLU 35 Cb 0.99 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1ckf h GLU 35 CO 0.06 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1ckf n SER 36 N -4.11 0.00 -2.03 1.42 3.41 -0.60 -4.82 113.62 106.89 1ckf n SER 36 Ca -0.10 -0.85 -0.13 0.00 -0.26 0.00 0.00 58.87 57.52 1ckf n SER 36 Cb 0.72 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.71 1ckf n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ckf n GLY 37 N 0.00 0.03 2.39 5.00 0.00 0.04 -2.67 105.19 109.98 1ckf n GLY 37 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 1ckf n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ckf n TYR 38 N -3.97 -0.68 -3.62 1.61 4.01 -1.18 -4.77 117.16 108.57 1ckf n TYR 38 Ca -0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.31 1ckf n TYR 38 Cb 0.56 -3.51 -0.11 0.00 -0.31 0.00 0.00 39.34 35.96 1ckf n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1ckf s ASN 39 N -2.31 5.69 0.51 7.72 2.47 -1.09 -0.95 114.94 126.98 1ckf s ASN 39 Ca 0.00 -0.57 0.31 0.00 0.42 0.00 0.00 52.86 53.02 1ckf s ASN 39 Cb 0.00 -2.04 1.15 0.00 -1.45 0.00 0.00 41.25 38.92 1ckf s ASN 39 CO 0.00 -0.23 1.90 0.71 -3.72 0.00 0.00 177.10 175.76 1ckf h THR 40 N 5.65 0.00 -0.57 -5.21 1.35 -1.34 -3.07 112.91 109.73 1ckf h THR 40 Ca -0.31 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1ckf h THR 40 Cb 1.14 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1ckf h THR 40 CO 0.63 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.79 1ckf n ARG 41 N -3.05 3.42 -2.03 4.72 1.85 -1.26 -4.12 116.66 116.19 1ckf n ARG 41 Ca 0.01 -2.74 -0.41 0.00 -1.00 0.00 0.00 57.85 53.72 1ckf n ARG 41 Cb 0.35 -1.76 -0.02 0.00 -1.05 0.00 0.00 32.46 29.98 1ckf n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ckf s ALA 42 N -1.74 3.58 0.05 2.89 0.00 -1.16 -4.83 121.76 120.55 1ckf s ALA 42 Ca 0.46 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.72 1ckf s ALA 42 Cb 0.29 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1ckf s ALA 42 CO 0.22 -0.74 0.03 0.95 0.00 0.00 0.00 175.76 176.22 1ckf s THR 43 N -0.49 0.18 -0.20 0.00 -4.23 -1.26 -1.21 115.64 108.44 1ckf s THR 43 Ca 0.55 -1.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.49 1ckf s THR 43 Cb -0.42 -1.26 0.08 0.00 1.34 0.00 0.00 72.50 72.25 1ckf s THR 43 CO 0.48 -0.83 0.43 0.21 -0.54 0.00 0.00 174.62 174.38 1ckf s ASN 44 N -2.63 -0.39 -0.08 3.99 2.47 -0.84 -4.97 114.94 112.48 1ckf s ASN 44 Ca 0.02 1.00 -0.13 0.00 0.42 0.00 0.00 52.86 54.17 1ckf s ASN 44 Cb 0.04 1.19 -0.05 0.00 -1.45 0.00 0.00 41.25 40.98 1ckf s ASN 44 CO -0.08 -0.22 0.31 -0.47 -3.72 0.00 0.00 177.10 172.91 1ckf s TYR 45 N 2.19 3.60 -0.62 0.43 5.04 -1.26 -0.44 117.35 126.30 1ckf s TYR 45 Ca -0.05 0.75 -0.08 0.00 -2.44 0.00 0.00 57.07 55.25 1ckf s TYR 45 Cb -0.11 -2.23 0.16 0.00 0.35 0.00 0.00 41.96 40.14 1ckf s TYR 45 CO -0.13 0.52 0.48 -0.80 -1.34 0.00 0.00 175.55 174.28 1ckf s ASN 46 N -0.51 5.79 0.56 4.32 0.01 -0.64 -4.93 114.94 119.54 1ckf s ASN 46 Ca 0.19 -2.46 0.25 0.00 -0.71 0.00 0.00 52.86 50.13 1ckf s ASN 46 Cb -0.14 -2.00 1.60 0.00 0.41 0.00 0.00 41.25 41.11 1ckf s ASN 46 CO 0.08 -0.54 2.19 0.00 -1.51 0.00 0.00 177.10 177.32 1ckf h ALA 47 N 7.75 1.76 -0.46 0.60 0.00 -1.97 -0.37 119.26 126.58 1ckf h ALA 47 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ckf h ALA 47 Cb 1.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1ckf h ALA 47 CO 0.78 -0.06 0.25 0.78 0.00 0.00 0.00 179.25 180.99 1ckf h GLY 48 N 0.00 0.68 0.00 0.00 0.00 -1.95 -3.31 103.07 98.50 1ckf h GLY 48 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ckf h GLY 48 CO -0.00 0.30 0.00 2.09 0.00 0.00 0.00 176.54 178.93 1ckf n ASP 49 N -4.69 1.81 -1.89 0.19 5.75 -1.14 -5.02 116.55 111.56 1ckf n ASP 49 Ca 0.01 -1.86 -0.17 0.00 -0.01 0.00 0.00 54.79 52.77 1ckf n ASP 49 Cb 0.08 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.16 1ckf n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ckf n ARG 50 N -0.43 -1.35 -3.80 0.11 1.74 -0.16 -4.80 116.66 107.97 1ckf n ARG 50 Ca 0.00 0.84 -0.26 0.00 -0.77 0.00 0.00 57.85 57.67 1ckf n ARG 50 Cb 0.24 -5.27 0.00 0.00 -1.02 0.00 0.00 32.46 26.41 1ckf n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ckf s SER 51 N -2.28 4.66 0.00 0.55 1.04 -1.20 -4.39 113.70 112.09 1ckf s SER 51 Ca 0.00 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 1ckf s SER 51 Cb 0.00 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1ckf s SER 51 CO 0.00 -1.17 0.26 0.00 0.98 0.00 0.00 173.24 173.30 1ckf s ALA 52 N -2.78 -0.62 -0.15 5.32 0.00 -1.26 -1.62 121.76 120.64 1ckf s ALA 52 Ca 0.36 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 1ckf s ALA 52 Cb -0.03 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1ckf s ALA 52 CO 0.23 -0.27 0.05 -0.51 0.00 0.00 0.00 175.76 175.25 1ckf s ASP 53 N -1.48 5.54 -0.07 0.00 1.01 0.42 -1.22 116.67 120.88 1ckf s ASP 53 Ca -0.12 0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.28 1ckf s ASP 53 Cb -0.05 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 42.02 1ckf s ASP 53 CO 0.02 0.24 -0.17 -0.31 0.21 0.00 0.00 175.17 175.16 1ckf s TYR 54 N -0.02 1.81 0.00 4.23 1.51 0.23 -1.98 117.35 123.13 1ckf s TYR 54 Ca 0.05 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1ckf s TYR 54 Cb -0.12 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1ckf s TYR 54 CO 0.01 -0.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.59 1ckf n GLY 55 N 3.51 -1.86 0.26 0.71 0.00 -0.35 -1.66 105.19 105.81 1ckf n GLY 55 Ca -0.20 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.41 1ckf n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ckf h ILE 56 N 0.00 0.84 -0.07 -0.61 2.10 -1.70 -1.69 117.51 116.38 1ckf h ILE 56 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1ckf h ILE 56 Cb 0.00 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1ckf h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1ckf n PHE 57 N -4.18 0.06 -3.78 2.19 3.72 -1.26 -3.96 117.46 110.25 1ckf n PHE 57 Ca -0.03 -0.05 -0.34 0.00 -0.05 0.00 0.00 57.45 56.98 1ckf n PHE 57 Cb 0.14 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1ckf n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ckf n GLN 58 N 0.88 -1.20 -2.72 -1.08 1.13 -0.64 -4.92 117.38 108.84 1ckf n GLN 58 Ca 0.10 0.38 -0.41 0.00 -1.94 0.00 0.00 57.00 55.12 1ckf n GLN 58 Cb 0.40 -3.85 -0.04 0.00 0.11 0.00 0.00 30.24 26.86 1ckf n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ckf s ILE 59 N -3.52 4.50 0.18 5.09 1.01 -0.66 -4.39 121.20 123.40 1ckf s ILE 59 Ca 0.44 2.05 -0.26 0.00 0.00 0.00 0.00 60.65 62.88 1ckf s ILE 59 Cb -0.17 -4.31 -0.08 0.00 0.01 0.00 0.00 42.46 37.90 1ckf s ILE 59 CO 0.89 0.30 0.79 0.21 0.00 0.00 0.00 174.94 177.13 1ckf s ASN 60 N 0.07 7.41 0.25 3.58 3.84 -1.26 -0.60 114.94 128.22 1ckf s ASN 60 Ca 0.47 1.67 0.24 0.00 0.21 0.00 0.00 52.86 55.46 1ckf s ASN 60 Cb -0.23 -2.51 0.95 0.00 -0.55 0.00 0.00 41.25 38.90 1ckf s ASN 60 CO 0.30 0.20 1.73 -1.54 -2.79 0.00 0.00 177.10 174.99 1ckf n SER 61 N 1.53 0.70 0.07 -4.21 3.41 -0.35 -2.48 113.62 112.29 1ckf n SER 61 Ca -0.05 0.65 -0.03 0.00 -0.26 0.00 0.00 58.87 59.18 1ckf n SER 61 Cb 0.49 -0.80 0.21 0.00 -0.26 0.00 0.00 64.21 63.84 1ckf n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ckf h ARG 62 N 0.00 0.31 0.00 4.33 2.43 -1.84 -3.40 114.38 116.21 1ckf h ARG 62 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1ckf h ARG 62 Cb 0.44 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ckf h ARG 62 CO 0.00 0.66 -0.89 0.66 -1.51 0.00 0.00 179.97 178.89 1ckf n TYR 63 N -4.04 0.00 -0.10 2.20 4.02 -1.23 -0.53 117.16 117.47 1ckf n TYR 63 Ca -0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.68 1ckf n TYR 63 Cb 0.47 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.67 1ckf n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ckf n TRP 64 N -1.90 0.27 -4.27 -0.72 7.02 -1.03 -1.00 117.44 115.80 1ckf n TRP 64 Ca 0.00 0.06 -0.15 0.00 -1.02 0.00 0.00 57.50 56.39 1ckf n TRP 64 Cb 0.45 -1.03 -0.10 0.00 -2.42 0.00 0.00 31.31 28.20 1ckf n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ckf s ASN 66 N -3.20 5.67 0.00 0.00 2.47 0.01 -4.55 114.94 115.34 1ckf s ASN 66 Ca 0.20 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.51 1ckf s ASN 66 Cb 0.03 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 1ckf s ASN 66 CO 0.03 0.10 0.82 -0.90 -3.72 0.00 0.00 177.10 173.43 1ckf n ASP 67 N 4.04 1.60 0.00 -4.21 5.75 -1.26 -1.02 116.55 121.45 1ckf n ASP 67 Ca -0.16 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1ckf n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1ckf n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckf n GLY 68 N -0.33 1.16 0.06 6.12 0.00 -1.26 -4.74 105.19 106.21 1ckf n GLY 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1ckf n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckf n LYS 69 N -1.94 2.66 -3.65 1.61 2.85 -1.26 -4.98 118.16 113.46 1ckf n LYS 69 Ca 0.00 -1.76 -0.37 0.00 -1.05 0.00 0.00 58.31 55.12 1ckf n LYS 69 Cb 0.00 -1.13 -0.12 0.00 -0.65 0.00 0.00 35.03 33.14 1ckf n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ckf s THR 70 N -1.39 4.94 0.10 0.58 2.01 -1.26 -4.93 115.64 115.68 1ckf s THR 70 Ca 0.08 0.03 -0.35 0.00 0.31 0.00 0.00 61.69 61.77 1ckf s THR 70 Cb 0.07 -3.34 -0.14 0.00 0.01 0.00 0.00 72.50 69.09 1ckf s THR 70 CO 0.02 0.28 1.58 -2.65 -0.69 0.00 0.00 174.62 173.16 1ckf n PRO 71 N 5.01 1.94 -1.82 4.92 -0.02 -1.26 -2.84 135.00 140.92 1ckf n PRO 71 Ca -0.15 0.70 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 1ckf n PRO 71 Cb 0.52 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1ckf n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ckf n GLY 72 N 3.42 0.36 3.83 -1.23 0.00 -1.26 -4.93 105.19 105.38 1ckf n GLY 72 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1ckf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckf s ALA 73 N -2.21 2.62 0.51 4.61 0.00 -1.13 -5.06 121.76 121.10 1ckf s ALA 73 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1ckf s ALA 73 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1ckf s ALA 73 CO 0.00 -1.33 0.04 0.14 0.00 0.00 0.00 175.76 174.62 1ckf s VAL 74 N -3.17 1.27 -0.42 0.00 -7.23 0.31 -5.01 120.40 106.15 1ckf s VAL 74 Ca 0.59 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.88 1ckf s VAL 74 Cb -0.13 -2.21 0.23 0.00 0.56 0.00 0.00 36.38 34.83 1ckf s VAL 74 CO 0.54 0.00 0.50 -3.20 -0.31 0.00 0.00 175.10 172.63 1ckf n ASN 75 N -1.30 0.36 0.13 4.85 5.15 -1.23 -4.04 115.26 119.18 1ckf n ASN 75 Ca -0.17 -2.70 0.04 0.00 -0.60 0.00 0.00 54.58 51.16 1ckf n ASN 75 Cb 0.67 -0.63 0.45 0.00 -0.53 0.00 0.00 39.78 39.74 1ckf n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ckf h ALA 76 N 4.32 1.64 -0.00 5.20 0.00 -1.06 -1.32 119.26 128.04 1ckf h ALA 76 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ckf h ALA 76 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ckf h ALA 76 CO 0.48 0.27 -0.11 0.00 0.00 0.00 0.00 179.25 179.88 1ckf n HIS 78 N -1.12 -1.84 -4.01 0.00 -0.00 -0.50 -4.97 115.22 102.79 1ckf n HIS 78 Ca 0.13 0.76 -0.08 0.00 -0.00 0.00 0.00 57.72 58.53 1ckf n HIS 78 Cb 0.28 -4.06 -0.10 0.00 -0.00 0.00 0.00 29.99 26.11 1ckf n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ckf s LEU 79 N -6.71 2.26 0.33 2.41 1.43 -1.26 -5.07 118.68 112.07 1ckf s LEU 79 Ca 0.07 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.24 1ckf s LEU 79 Cb -0.02 0.21 -0.10 0.00 0.03 0.00 0.00 46.19 46.31 1ckf s LEU 79 CO 0.84 -0.43 0.97 -0.55 0.23 0.00 0.00 176.35 177.40 1ckf s SER 80 N -2.06 7.26 0.62 2.29 0.15 -1.26 -0.81 113.70 119.89 1ckf s SER 80 Ca -0.07 1.88 0.38 0.00 0.70 0.00 0.00 55.95 58.85 1ckf s SER 80 Cb -0.03 -2.58 2.09 0.00 -1.71 0.00 0.00 66.02 63.79 1ckf s SER 80 CO -0.05 -0.13 2.28 0.00 1.20 0.00 0.00 173.24 176.55 1ckf h SER 82 N 0.00 0.72 -0.01 0.00 0.87 -1.91 -0.42 113.55 112.81 1ckf h SER 82 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ckf h SER 82 Cb 0.08 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1ckf h SER 82 CO 0.00 0.42 0.02 0.00 -0.53 0.00 0.00 176.83 176.75 1ckf h ALA 83 N 1.58 1.18 -0.32 6.23 0.00 -1.66 -0.36 119.26 125.90 1ckf h ALA 83 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ckf h ALA 83 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ckf h ALA 83 CO -0.16 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.34 1ckf n LEU 84 N -3.28 2.11 -0.27 0.00 4.77 -0.17 -3.84 117.00 116.32 1ckf n LEU 84 Ca -0.03 -0.99 0.02 0.00 -0.03 0.00 0.00 56.01 54.99 1ckf n LEU 84 Cb 0.10 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1ckf n LEU 84 CO 0.22 0.49 0.55 0.18 -1.33 0.00 0.00 177.39 177.50 1ckf n LEU 85 N 0.63 2.35 -4.85 2.23 4.77 -0.14 -3.29 117.00 118.71 1ckf n LEU 85 Ca 0.15 -1.96 -0.31 0.00 -0.03 0.00 0.00 56.01 53.86 1ckf n LEU 85 Cb 0.36 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1ckf n LEU 85 CO 0.11 0.59 0.71 -1.10 -1.33 0.00 0.00 177.39 176.37 1ckf s GLN 86 N -0.97 3.56 0.24 3.23 -0.21 -1.25 -4.52 119.66 119.73 1ckf s GLN 86 Ca 0.10 0.87 0.02 0.00 0.02 0.00 0.00 55.36 56.37 1ckf s GLN 86 Cb 0.05 -2.08 0.26 0.00 1.00 0.00 0.00 33.01 32.25 1ckf s GLN 86 CO 0.07 -0.60 1.59 -0.44 -2.12 0.00 0.00 175.29 173.79 1ckf h ASP 87 N -0.01 0.42 -3.27 5.90 5.19 -1.94 -3.40 116.42 119.30 1ckf h ASP 87 Ca -0.45 -0.21 -0.58 0.00 -0.62 0.00 0.00 57.03 55.17 1ckf h ASP 87 Cb 1.19 -0.12 -0.07 0.00 0.18 0.00 0.00 39.33 40.51 1ckf h ASP 87 CO 0.61 0.85 0.73 0.21 -3.12 0.00 0.00 179.24 178.52 1ckf s ASN 88 N -6.89 6.92 0.00 6.45 3.84 -1.26 -4.91 114.94 119.10 1ckf s ASN 88 Ca -0.06 1.06 0.10 0.00 0.21 0.00 0.00 52.86 54.17 1ckf s ASN 88 Cb 0.12 -2.51 0.30 0.00 -0.55 0.00 0.00 41.25 38.62 1ckf s ASN 88 CO 0.81 -0.76 1.24 2.30 -2.79 0.00 0.00 177.10 177.90 1ckf n ILE 89 N 5.64 0.35 -0.10 -5.21 -5.35 -1.26 -4.44 119.36 108.98 1ckf n ILE 89 Ca 0.10 -0.36 -0.06 0.00 -0.27 0.00 0.00 62.75 62.16 1ckf n ILE 89 Cb 0.47 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1ckf n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ckf h ALA 90 N 3.55 0.20 -0.64 -1.28 0.00 -1.94 0.25 119.26 119.41 1ckf h ALA 90 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1ckf h ALA 90 Cb 0.37 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ckf h ALA 90 CO 0.00 -0.47 0.06 -0.44 0.00 0.00 0.00 179.25 178.40 1ckf h ASP 91 N -0.02 1.04 -0.40 0.00 3.32 -1.86 -1.75 116.42 116.76 1ckf h ASP 91 Ca 0.17 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1ckf h ASP 91 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1ckf h ASP 91 CO -0.36 1.06 0.14 0.00 -1.72 0.00 0.00 179.24 178.35 1ckf h ALA 92 N 1.02 1.38 -0.36 3.45 0.00 -1.63 -1.59 119.26 121.53 1ckf h ALA 92 Ca 0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1ckf h ALA 92 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ckf h ALA 92 CO 0.02 0.46 -0.20 0.28 0.00 0.00 0.00 179.25 179.80 1ckf h VAL 93 N 0.67 1.28 -0.40 0.00 2.07 -0.62 0.94 116.25 120.20 1ckf h VAL 93 Ca 0.15 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1ckf h VAL 93 Cb 0.21 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1ckf h VAL 93 CO -0.01 0.44 0.08 0.00 0.02 0.00 0.00 177.57 178.10 1ckf h ALA 94 N 0.79 1.39 0.08 1.67 0.00 -1.03 -0.31 119.26 121.85 1ckf h ALA 94 Ca 0.08 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 1ckf h ALA 94 Cb 0.75 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ckf h ALA 94 CO 0.06 0.44 -1.13 0.00 0.00 0.00 0.00 179.25 178.62 1ckf h ALA 96 N 0.54 1.34 -0.34 0.00 0.00 -0.23 0.40 119.26 120.97 1ckf h ALA 96 Ca -0.13 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1ckf h ALA 96 Cb 1.80 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1ckf h ALA 96 CO 0.20 0.46 -0.11 0.87 0.00 0.00 0.00 179.25 180.67 1ckf h LYS 97 N 0.61 0.68 -0.83 0.00 1.57 -1.04 -2.45 116.57 115.11 1ckf h LYS 97 Ca 0.14 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1ckf h LYS 97 Cb 0.29 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1ckf h LYS 97 CO 0.00 0.86 0.52 -0.09 -0.57 0.00 0.00 179.45 180.17 1ckf h ARG 98 N 0.46 0.94 -0.04 3.15 9.65 -0.80 -1.68 114.38 126.06 1ckf h ARG 98 Ca 0.08 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1ckf h ARG 98 Cb 0.63 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1ckf h ARG 98 CO 0.04 0.62 -0.01 0.28 2.80 0.00 0.00 179.97 183.71 1ckf h VAL 99 N 0.97 0.97 0.00 0.20 2.07 -0.70 -2.52 116.25 117.23 1ckf h VAL 99 Ca 0.35 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 1ckf h VAL 99 Cb 0.12 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1ckf h VAL 99 CO -0.15 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.77 1ckf n VAL 100 N -5.10 0.69 0.60 2.57 0.24 -0.94 -2.25 118.33 114.14 1ckf n VAL 100 Ca -0.06 0.17 0.11 0.00 -2.04 0.00 0.00 64.34 62.52 1ckf n VAL 100 Cb 0.05 -0.86 0.44 0.00 -1.47 0.00 0.00 33.84 31.99 1ckf n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ckf n ARG 101 N -1.46 0.08 -2.06 7.34 0.63 -0.66 -4.09 116.66 116.44 1ckf n ARG 101 Ca 0.05 0.23 -0.29 0.00 -0.92 0.00 0.00 57.85 56.93 1ckf n ARG 101 Cb 0.20 -1.63 0.04 0.00 0.45 0.00 0.00 32.46 31.52 1ckf n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ckf s ASP 102 N -3.51 5.43 0.30 6.15 1.11 -0.95 -4.98 116.67 120.22 1ckf s ASP 102 Ca 0.08 0.96 0.03 0.00 0.18 0.00 0.00 52.55 53.81 1ckf s ASP 102 Cb 0.12 -1.80 0.77 0.00 1.07 0.00 0.00 42.92 43.08 1ckf s ASP 102 CO 0.40 -1.28 1.62 1.55 1.18 0.00 0.00 175.17 178.64 1ckf h PRO 103 N -0.52 0.14 0.00 8.23 0.13 -1.88 -2.40 132.00 135.70 1ckf h PRO 103 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1ckf h PRO 103 Cb 1.26 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ckf h PRO 103 CO 0.63 0.09 -0.12 1.96 -0.23 0.00 0.00 178.00 180.33 1ckf h GLN 104 N 0.14 0.00 0.00 0.86 4.20 -1.90 -3.49 115.11 114.92 1ckf h GLN 104 Ca 0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.30 1ckf h GLN 104 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1ckf h GLN 104 CO -0.72 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 177.97 1ckf n GLY 105 N -0.71 1.99 0.32 3.46 0.00 -0.91 -2.24 105.19 107.10 1ckf n GLY 105 Ca -0.02 -0.55 0.21 0.00 0.00 0.00 0.00 46.02 45.66 1ckf n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ckf h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.92 -1.90 117.51 119.16 1ckf h ILE 106 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1ckf h ILE 106 Cb 0.00 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1ckf h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1ckf n ARG 107 N -3.08 0.03 -0.27 2.19 1.74 -0.95 -2.91 116.66 113.41 1ckf n ARG 107 Ca -0.02 0.32 0.17 0.00 -0.77 0.00 0.00 57.85 57.54 1ckf n ARG 107 Cb 0.15 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.54 1ckf n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ckf h ALA 108 N 2.32 2.03 -2.57 7.54 0.00 -1.49 -3.38 119.26 123.71 1ckf h ALA 108 Ca 0.00 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.33 1ckf h ALA 108 Cb 0.13 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.75 1ckf h ALA 108 CO 0.00 -0.33 0.05 -1.58 0.00 0.00 0.00 179.25 177.39 1ckf s TRP 109 N -5.56 3.30 0.31 0.00 0.51 -1.14 -4.97 118.94 111.38 1ckf s TRP 109 Ca -0.09 0.74 0.02 0.00 -2.12 0.00 0.00 56.10 54.65 1ckf s TRP 109 Cb 0.23 -2.76 0.51 0.00 -0.81 0.00 0.00 33.47 30.65 1ckf s TRP 109 CO 0.79 -0.26 1.87 0.28 -0.51 0.00 0.00 176.95 179.12 1ckf h VAL 110 N 5.34 1.21 -0.70 4.03 2.07 -1.90 -2.06 116.25 124.22 1ckf h VAL 110 Ca -0.29 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1ckf h VAL 110 Cb 1.14 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1ckf h VAL 110 CO 0.74 0.27 0.47 0.00 0.02 0.00 0.00 177.57 179.07 1ckf h ALA 111 N 1.44 1.52 -0.08 1.67 0.00 -1.94 0.13 119.26 122.00 1ckf h ALA 111 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ckf h ALA 111 Cb 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ckf h ALA 111 CO -0.00 0.44 0.05 2.35 0.00 0.00 0.00 179.25 182.08 1ckf h TRP 112 N 0.93 0.10 -0.91 0.00 7.01 -1.71 0.18 115.95 121.56 1ckf h TRP 112 Ca 0.26 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.28 1ckf h TRP 112 Cb -0.07 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 26.91 1ckf h TRP 112 CO -0.00 0.10 0.60 0.00 -2.79 0.00 0.00 178.44 176.35 1ckf h ARG 113 N 0.08 1.18 -0.24 2.65 3.08 -1.27 0.21 114.38 120.07 1ckf h ARG 113 Ca 0.03 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 1ckf h ARG 113 Cb 0.03 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 1ckf h ARG 113 CO -0.01 0.78 -0.29 -0.91 -1.07 0.00 0.00 179.97 178.48 1ckf h ASN 114 N 1.22 0.67 -0.00 7.04 2.35 -0.46 -3.36 115.58 123.03 1ckf h ASN 114 Ca 0.34 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1ckf h ASN 114 Cb -0.11 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1ckf h ASN 114 CO -0.08 1.03 -0.12 0.54 -1.65 0.00 0.00 177.43 177.15 1ckf n ARG 115 N -4.31 3.41 0.00 0.81 5.12 0.59 -4.86 116.66 117.43 1ckf n ARG 115 Ca -0.05 -0.29 0.00 0.00 -1.93 0.00 0.00 57.85 55.59 1ckf n ARG 115 Cb 0.47 -0.84 0.00 0.00 -1.16 0.00 0.00 32.46 30.93 1ckf n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ckf s GLN 117 N -1.98 4.14 -1.63 0.00 0.74 -0.19 -2.41 119.66 118.33 1ckf s GLN 117 Ca 0.00 2.56 -0.01 0.00 0.05 0.00 0.00 55.36 57.96 1ckf s GLN 117 Cb 0.00 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1ckf s GLN 117 CO 0.00 -0.70 0.13 0.09 -0.55 0.00 0.00 175.29 174.25 1ckf n ASN 118 N 3.64 -5.62 -4.54 6.67 5.03 -1.26 -4.96 115.26 114.22 1ckf n ASN 118 Ca 0.14 -0.05 -0.25 0.00 0.87 0.00 0.00 54.58 55.29 1ckf n ASN 118 Cb 0.36 -4.66 -0.11 0.00 -1.02 0.00 0.00 39.78 34.36 1ckf n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ckf s ARG 119 N -5.20 1.80 -0.70 3.52 1.81 -1.01 -5.08 118.95 114.09 1ckf s ARG 119 Ca 0.07 -1.96 -0.23 0.00 -1.72 0.00 0.00 55.73 51.88 1ckf s ARG 119 Cb -0.03 -1.51 0.06 0.00 -0.45 0.00 0.00 34.95 33.03 1ckf s ARG 119 CO 0.08 0.03 1.06 0.34 -0.68 0.00 0.00 175.30 176.13 1ckf s ASP 120 N -3.60 6.20 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.33 1ckf s ASP 120 Ca 0.33 -0.94 0.24 0.00 -0.52 0.00 0.00 52.55 51.66 1ckf s ASP 120 Cb 0.06 -2.45 0.39 0.00 -1.46 0.00 0.00 42.92 39.45 1ckf s ASP 120 CO 0.16 -1.51 1.37 1.33 0.52 0.00 0.00 175.17 177.04 1ckf n VAL 121 N 6.03 0.22 -0.22 1.11 0.24 -1.26 -4.47 118.33 119.98 1ckf n VAL 121 Ca 0.00 -0.58 0.15 0.00 -2.04 0.00 0.00 64.34 61.88 1ckf n VAL 121 Cb 0.47 1.14 0.47 0.00 -1.47 0.00 0.00 33.84 34.45 1ckf n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ckf h ARG 122 N 4.29 0.48 -0.02 7.34 3.08 -1.92 -0.82 114.38 126.81 1ckf h ARG 122 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ckf h ARG 122 Cb 0.93 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 1ckf h ARG 122 CO 0.00 0.32 0.05 -0.56 -1.07 0.00 0.00 179.97 178.70 1ckf h GLN 123 N 0.49 0.00 0.00 0.04 3.07 -1.99 -2.80 115.11 113.93 1ckf h GLN 123 Ca 0.42 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 59.06 1ckf h GLN 123 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.45 1ckf h GLN 123 CO -0.16 0.00 -0.50 1.88 0.09 0.00 0.00 178.83 180.14 1ckf h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.48 -3.27 116.97 112.31 1ckf h TYR 124 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1ckf h TYR 124 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1ckf h TYR 124 CO 0.00 0.50 -0.08 1.33 -1.05 0.00 0.00 178.16 178.86 1ckf n VAL 125 N -3.77 0.00 -1.80 -2.88 0.24 -1.06 -4.83 118.33 104.23 1ckf n VAL 125 Ca -0.01 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 1ckf n VAL 125 Cb 0.54 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 1ckf n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ckf s GLN 126 N -1.25 4.16 0.00 7.34 -1.52 -1.17 -1.96 119.66 125.26 1ckf s GLN 126 Ca 0.14 2.50 0.00 0.00 -1.95 0.00 0.00 55.36 56.05 1ckf s GLN 126 Cb 0.11 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.57 1ckf s GLN 126 CO 0.21 -0.74 0.00 0.41 -0.25 0.00 0.00 175.29 174.92 1ckf n GLY 127 N 4.00 1.33 0.05 3.09 0.00 -1.26 -4.92 105.19 107.49 1ckf n GLY 127 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1ckf n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckf n GLY 129 N 1.40 0.03 0.33 0.00 0.00 -1.26 -4.80 105.19 100.89 1ckf n GLY 129 Ca 0.10 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.67 1ckf n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65