#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckc s VAL 2 N 0.00 4.23 0.51 3.15 1.01 -1.26 -0.84 120.40 127.19 1ckc s VAL 2 Ca 0.00 -1.26 -0.20 0.00 0.00 0.00 0.00 61.98 60.52 1ckc s VAL 2 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1ckc s VAL 2 CO 0.00 -0.41 1.09 -0.36 0.00 0.00 0.00 175.10 175.43 1ckc s PHE 3 N 1.44 2.84 0.30 5.22 0.40 -0.20 -5.00 117.98 122.98 1ckc s PHE 3 Ca 0.02 1.56 -0.11 0.00 -0.60 0.00 0.00 56.93 57.80 1ckc s PHE 3 Cb -0.22 -3.20 -0.08 0.00 0.51 0.00 0.00 43.02 40.03 1ckc s PHE 3 CO 0.03 -1.24 0.66 -1.21 0.70 0.00 0.00 175.22 174.16 1ckc s GLU 4 N -3.18 3.86 0.09 0.44 2.02 -1.26 -4.84 118.70 115.83 1ckc s GLU 4 Ca 0.69 0.44 -0.25 0.00 0.02 0.00 0.00 54.97 55.87 1ckc s GLU 4 Cb -0.21 -2.52 -0.09 0.00 0.10 0.00 0.00 34.13 31.41 1ckc s GLU 4 CO 0.25 0.19 1.41 -0.09 0.02 0.00 0.00 175.26 177.03 1ckc h ARG 5 N 2.14 -0.35 -0.27 1.61 2.43 -1.96 -1.61 114.38 116.37 1ckc h ARG 5 Ca -0.47 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.65 1ckc h ARG 5 Cb 1.18 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1ckc h ARG 5 CO 0.67 -0.23 -0.13 0.00 -1.51 0.00 0.00 179.97 178.77 1ckc h GLU 7 N 0.43 0.31 -0.63 0.00 4.81 -1.88 -1.45 114.58 116.17 1ckc h GLU 7 Ca 0.08 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1ckc h GLU 7 Cb 0.48 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1ckc h GLU 7 CO 0.03 0.20 0.20 1.25 -0.73 0.00 0.00 179.01 179.96 1ckc h LEU 8 N 0.32 0.92 -0.66 1.64 5.85 -0.89 -2.07 115.31 120.42 1ckc h LEU 8 Ca 0.13 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1ckc h LEU 8 Cb 0.06 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1ckc h LEU 8 CO -0.10 0.88 0.41 0.00 -0.34 0.00 0.00 178.44 179.29 1ckc h ALA 9 N 1.07 0.86 -0.20 1.25 0.00 -0.90 0.80 119.26 122.15 1ckc h ALA 9 Ca 0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1ckc h ALA 9 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ckc h ALA 9 CO -0.01 0.16 -0.46 0.00 0.00 0.00 0.00 179.25 178.94 1ckc h ARG 10 N 0.79 0.50 -0.31 0.00 3.08 -1.15 -2.17 114.38 115.12 1ckc h ARG 10 Ca 0.27 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1ckc h ARG 10 Cb 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1ckc h ARG 10 CO -0.11 0.86 0.02 1.15 -1.07 0.00 0.00 179.97 180.83 1ckc h THR 11 N 0.41 1.25 -0.62 2.04 2.02 -0.73 -2.02 112.91 115.25 1ckc h THR 11 Ca 0.03 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 1ckc h THR 11 Cb 0.97 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1ckc h THR 11 CO 0.09 0.29 0.11 -0.07 0.37 0.00 0.00 175.52 176.30 1ckc h LEU 12 N 0.35 0.95 -0.72 2.58 3.38 -0.80 -2.12 115.31 118.93 1ckc h LEU 12 Ca 0.09 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1ckc h LEU 12 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ckc h LEU 12 CO 0.01 0.95 0.18 0.50 0.09 0.00 0.00 178.44 180.16 1ckc h LYS 13 N 0.95 1.14 0.00 1.13 3.64 -1.21 -2.23 116.57 119.99 1ckc h LYS 13 Ca 0.19 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1ckc h LYS 13 Cb 0.40 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1ckc h LYS 13 CO 0.01 1.00 -0.24 -0.09 -2.27 0.00 0.00 179.45 177.86 1ckc h ARG 14 N 1.08 0.00 -0.12 1.90 2.43 -1.03 -2.12 114.38 116.51 1ckc h ARG 14 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1ckc h ARG 14 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ckc h ARG 14 CO 0.00 0.24 0.00 1.28 -1.51 0.00 0.00 179.97 179.99 1ckc n LEU 15 N -3.95 0.92 -0.58 3.80 4.77 -0.83 -4.92 117.00 116.21 1ckc n LEU 15 Ca -0.02 -0.41 -0.05 0.00 -0.03 0.00 0.00 56.01 55.51 1ckc n LEU 15 Cb 0.32 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1ckc n LEU 15 CO 0.35 0.20 -0.05 0.61 -1.33 0.00 0.00 177.39 177.18 1ckc n GLY 16 N 0.92 0.23 0.12 -0.72 0.00 -0.80 -4.97 105.19 99.97 1ckc n GLY 16 Ca 0.12 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1ckc n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ckc h MET 17 N -0.06 0.00 -6.22 1.61 2.86 -1.63 -3.41 114.93 108.08 1ckc h MET 17 Ca -0.11 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.95 1ckc h MET 17 Cb 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1ckc h MET 17 CO 0.13 0.00 1.31 0.34 1.06 0.00 0.00 176.91 179.75 1ckc s ASP 18 N -5.33 5.81 0.00 1.22 2.15 -1.26 -2.06 116.67 117.20 1ckc s ASP 18 Ca 0.02 1.37 0.00 0.00 0.43 0.00 0.00 52.55 54.36 1ckc s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1ckc s ASP 18 CO 0.76 -1.76 0.00 0.61 -0.17 0.00 0.00 175.17 174.61 1ckc n GLY 19 N 5.48 0.57 3.69 2.66 0.00 0.57 -4.90 105.19 113.26 1ckc n GLY 19 Ca 0.24 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ckc n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ckc s TYR 20 N -2.00 2.33 -1.34 1.61 5.04 -0.88 -1.65 117.35 120.47 1ckc s TYR 20 Ca 0.00 0.27 -0.08 0.00 -2.44 0.00 0.00 57.07 54.82 1ckc s TYR 20 Cb 0.00 -3.97 0.05 0.00 0.35 0.00 0.00 41.96 38.39 1ckc s TYR 20 CO 0.00 -3.95 0.50 0.54 -1.34 0.00 0.00 175.55 171.30 1ckc n ARG 21 N 5.81 -3.73 -1.01 4.97 5.12 -1.26 -0.94 116.66 125.62 1ckc n ARG 21 Ca 0.16 0.58 -0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1ckc n ARG 21 Cb 0.41 -5.32 -0.00 0.00 -1.16 0.00 0.00 32.46 26.38 1ckc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ckc n GLY 22 N -1.25 0.47 3.51 -0.13 0.00 -0.66 -5.00 105.19 102.14 1ckc n GLY 22 Ca -0.04 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1ckc n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckc s ILE 23 N -1.95 5.00 0.65 -0.61 1.01 -0.12 -4.91 121.20 120.27 1ckc s ILE 23 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 1ckc s ILE 23 Cb 0.00 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 1ckc s ILE 23 CO 0.00 0.12 1.13 -0.94 0.00 0.00 0.00 174.94 175.25 1ckc s SER 24 N 1.69 5.10 0.23 3.58 1.04 -1.26 -0.32 113.70 123.76 1ckc s SER 24 Ca 0.06 2.07 -0.06 0.00 0.48 0.00 0.00 55.95 58.50 1ckc s SER 24 Cb -0.17 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.74 1ckc s SER 24 CO 0.09 -1.64 1.79 0.25 0.98 0.00 0.00 173.24 174.71 1ckc h LEU 25 N 0.19 0.56 -1.97 2.42 5.85 -1.91 -1.10 115.31 119.35 1ckc h LEU 25 Ca -0.47 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.35 1ckc h LEU 25 Cb 1.25 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1ckc h LEU 25 CO 0.54 0.32 0.15 0.00 -0.34 0.00 0.00 178.44 179.12 1ckc h ALA 26 N 1.43 2.16 -0.20 1.25 0.00 -1.92 0.05 119.26 122.03 1ckc h ALA 26 Ca 0.36 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 1ckc h ALA 26 Cb 0.34 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ckc h ALA 26 CO -0.25 -0.22 -0.61 -0.91 0.00 0.00 0.00 179.25 177.26 1ckc h ASN 27 N 0.03 0.89 -0.75 0.00 2.35 -1.53 -1.14 115.58 115.42 1ckc h ASN 27 Ca 0.10 -0.58 -0.06 0.00 -0.55 0.00 0.00 56.30 55.21 1ckc h ASN 27 Cb 0.37 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1ckc h ASN 27 CO -0.00 1.32 0.25 -0.50 -1.65 0.00 0.00 177.43 176.84 1ckc h TRP 28 N 0.50 1.20 -0.45 1.19 4.06 -0.98 -0.99 115.95 120.48 1ckc h TRP 28 Ca -0.02 -0.11 -0.02 0.00 2.06 0.00 0.00 58.89 60.80 1ckc h TRP 28 Cb 1.23 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 29.02 1ckc h TRP 28 CO 0.09 0.93 0.20 0.52 -3.56 0.00 0.00 178.44 176.62 1ckc h MET 29 N 1.11 0.66 -0.64 0.49 2.86 -0.93 -1.39 114.93 117.10 1ckc h MET 29 Ca 0.24 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1ckc h MET 29 Cb 0.29 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1ckc h MET 29 CO -0.01 0.58 0.37 0.00 1.06 0.00 0.00 176.91 178.91 1ckc h LEU 31 N 0.87 -0.17 -1.14 0.00 5.85 -0.91 -2.04 115.31 117.78 1ckc h LEU 31 Ca 0.23 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1ckc h LEU 31 Cb 0.00 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ckc h LEU 31 CO -0.04 -0.11 0.29 0.00 -0.34 0.00 0.00 178.44 178.24 1ckc h ALA 32 N 0.64 1.33 0.31 1.25 0.00 -1.08 0.09 119.26 121.80 1ckc h ALA 32 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ckc h ALA 32 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ckc h ALA 32 CO 0.03 0.52 -0.21 -0.22 0.00 0.00 0.00 179.25 179.37 1ckc h LYS 33 N 0.89 -0.49 0.00 0.00 1.63 -0.89 -1.80 116.57 115.90 1ckc h LYS 33 Ca 0.22 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.92 1ckc h LYS 33 Cb 0.11 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1ckc h LYS 33 CO -0.03 -0.33 -0.60 -1.49 -3.45 0.00 0.00 179.45 173.55 1ckc h TRP 34 N -0.51 0.00 -0.00 1.91 4.06 -1.16 -0.70 115.95 119.55 1ckc h TRP 34 Ca -0.03 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.80 1ckc h TRP 34 Cb 0.44 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.60 1ckc h TRP 34 CO -0.11 0.60 -0.48 0.93 -3.56 0.00 0.00 178.44 175.82 1ckc h GLU 35 N 0.00 0.33 0.00 0.49 4.39 -0.97 -3.43 114.58 115.40 1ckc h GLU 35 Ca -0.01 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1ckc h GLU 35 Cb 1.29 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1ckc h GLU 35 CO 0.08 1.04 0.00 -1.13 -1.16 0.00 0.00 179.01 177.84 1ckc n SER 36 N -4.31 0.11 -1.63 1.42 3.41 -0.73 -4.86 113.62 107.02 1ckc n SER 36 Ca -0.10 -0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 57.92 1ckc n SER 36 Cb 0.62 0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.75 1ckc n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ckc n GLY 37 N 0.16 0.09 2.44 5.00 0.00 -0.27 -2.75 105.19 109.88 1ckc n GLY 37 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1ckc n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ckc n TYR 38 N -3.86 -1.07 -3.74 1.61 4.01 -1.13 -4.77 117.16 108.21 1ckc n TYR 38 Ca -0.05 0.04 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 1ckc n TYR 38 Cb 0.56 -4.04 -0.12 0.00 -0.31 0.00 0.00 39.34 35.43 1ckc n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1ckc s ASN 39 N -2.10 5.17 0.48 7.72 2.47 -1.11 -1.04 114.94 126.54 1ckc s ASN 39 Ca 0.02 -0.30 0.27 0.00 0.42 0.00 0.00 52.86 53.27 1ckc s ASN 39 Cb -0.01 -1.93 0.76 0.00 -1.45 0.00 0.00 41.25 38.62 1ckc s ASN 39 CO 0.03 -0.07 1.76 0.71 -3.72 0.00 0.00 177.10 175.81 1ckc h THR 40 N 5.59 0.00 -0.15 -5.21 1.35 -1.32 -3.17 112.91 110.01 1ckc h THR 40 Ca -0.37 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1ckc h THR 40 Cb 1.17 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1ckc h THR 40 CO 0.59 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.75 1ckc n ARG 41 N -3.07 2.05 -2.04 4.72 1.85 -1.26 -4.11 116.66 114.79 1ckc n ARG 41 Ca 0.03 -1.55 -0.42 0.00 -1.00 0.00 0.00 57.85 54.91 1ckc n ARG 41 Cb 0.44 -1.46 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 1ckc n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ckc s ALA 42 N -1.83 3.66 -0.13 2.89 0.00 -1.24 -4.82 121.76 120.30 1ckc s ALA 42 Ca 0.34 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.42 1ckc s ALA 42 Cb 0.20 -3.63 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1ckc s ALA 42 CO 0.30 -0.90 0.05 0.00 0.00 0.00 0.00 175.76 175.22 1ckc s ALA 43 N 1.97 0.62 -0.19 0.00 0.00 -1.26 0.02 121.76 122.92 1ckc s ALA 43 Ca 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 1ckc s ALA 43 Cb -0.38 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1ckc s ALA 43 CO 0.30 -0.89 -0.10 -0.80 0.00 0.00 0.00 175.76 174.28 1ckc s ASN 44 N 2.03 4.00 0.19 0.00 -0.87 -0.45 -4.95 114.94 114.88 1ckc s ASN 44 Ca 0.02 -0.42 -0.30 0.00 -1.57 0.00 0.00 52.86 50.60 1ckc s ASN 44 Cb -0.15 -1.65 -0.08 0.00 -0.02 0.00 0.00 41.25 39.35 1ckc s ASN 44 CO -0.07 0.04 0.93 -0.47 -2.57 0.00 0.00 177.10 174.96 1ckc s TYR 45 N 1.10 3.92 -0.55 2.20 5.04 -1.26 -1.05 117.35 126.74 1ckc s TYR 45 Ca 0.01 1.85 -0.09 0.00 -2.44 0.00 0.00 57.07 56.40 1ckc s TYR 45 Cb -0.15 -2.99 0.14 0.00 0.35 0.00 0.00 41.96 39.32 1ckc s TYR 45 CO -0.02 0.37 0.42 -0.80 -1.34 0.00 0.00 175.55 174.18 1ckc s ASN 46 N -0.75 5.76 0.50 4.32 0.01 0.57 -4.94 114.94 120.42 1ckc s ASN 46 Ca 0.43 -2.20 0.20 0.00 -0.71 0.00 0.00 52.86 50.58 1ckc s ASN 46 Cb -0.25 -2.01 1.27 0.00 0.41 0.00 0.00 41.25 40.67 1ckc s ASN 46 CO 0.31 -0.62 2.01 0.00 -1.51 0.00 0.00 177.10 177.29 1ckc h ALA 47 N 8.09 2.28 -0.80 0.60 0.00 -1.95 -1.17 119.26 126.31 1ckc h ALA 47 Ca -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ckc h ALA 47 Cb 1.05 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1ckc h ALA 47 CO 0.82 -0.41 0.46 0.78 0.00 0.00 0.00 179.25 180.90 1ckc h GLY 48 N 0.12 1.17 0.00 0.00 0.00 -1.94 -3.33 103.07 99.10 1ckc h GLY 48 Ca 0.22 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ckc h GLY 48 CO -0.03 0.49 0.00 2.09 0.00 0.00 0.00 176.54 179.09 1ckc n ASP 49 N -4.36 1.16 -0.75 0.19 5.75 -1.06 -5.02 116.55 112.45 1ckc n ASP 49 Ca 0.08 -1.55 -0.10 0.00 -0.01 0.00 0.00 54.79 53.21 1ckc n ASP 49 Cb 0.08 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.13 1ckc n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ckc n ARG 50 N -0.28 -0.86 -3.69 0.11 1.74 -0.47 -4.84 116.66 108.38 1ckc n ARG 50 Ca 0.00 0.81 -0.21 0.00 -0.77 0.00 0.00 57.85 57.68 1ckc n ARG 50 Cb 0.32 -4.78 -0.03 0.00 -1.02 0.00 0.00 32.46 26.95 1ckc n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ckc s SER 51 N -2.74 5.24 -0.00 0.55 1.04 -1.23 -4.47 113.70 112.09 1ckc s SER 51 Ca 0.00 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1ckc s SER 51 Cb 0.00 -0.83 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 1ckc s SER 51 CO 0.00 -0.47 -0.07 -0.89 0.98 0.00 0.00 173.24 172.78 1ckc s THR 52 N -2.36 0.58 -0.13 2.02 2.01 -1.26 -0.31 115.64 116.18 1ckc s THR 52 Ca 0.44 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 1ckc s THR 52 Cb -0.05 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1ckc s THR 52 CO 0.27 0.12 0.26 -1.81 -0.69 0.00 0.00 174.62 172.77 1ckc s ASP 53 N -0.29 6.46 -0.08 3.53 1.01 -0.22 -1.40 116.67 125.68 1ckc s ASP 53 Ca 0.02 0.54 0.04 0.00 0.71 0.00 0.00 52.55 53.86 1ckc s ASP 53 Cb -0.03 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.74 1ckc s ASP 53 CO -0.00 0.21 -0.22 -0.31 0.21 0.00 0.00 175.17 175.06 1ckc s TYR 54 N -0.09 2.28 0.00 4.23 2.02 -0.07 -1.34 117.35 124.39 1ckc s TYR 54 Ca 0.16 -0.85 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1ckc s TYR 54 Cb -0.13 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1ckc s TYR 54 CO 0.05 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 1ckc n GLY 55 N 3.43 -1.52 0.34 0.71 0.00 0.10 -1.65 105.19 106.59 1ckc n GLY 55 Ca -0.19 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1ckc n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ckc h ILE 56 N 0.00 0.92 -0.07 -0.61 2.10 -1.70 -0.54 117.51 117.61 1ckc h ILE 56 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1ckc h ILE 56 Cb 0.00 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 36.29 1ckc h ILE 56 CO 0.00 0.06 0.00 0.49 -1.08 0.00 0.00 178.15 177.62 1ckc n PHE 57 N -4.47 0.06 -3.72 2.19 3.72 -1.26 -4.02 117.46 109.96 1ckc n PHE 57 Ca 0.07 -0.04 -0.31 0.00 -0.05 0.00 0.00 57.45 57.12 1ckc n PHE 57 Cb 0.32 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.90 1ckc n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ckc n GLN 58 N 1.13 -1.52 -2.66 -1.08 1.13 -0.21 -4.92 117.38 109.26 1ckc n GLN 58 Ca 0.12 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.21 1ckc n GLN 58 Cb 0.50 -4.15 -0.03 0.00 0.11 0.00 0.00 30.24 26.67 1ckc n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ckc s ILE 59 N -3.52 4.59 0.15 5.09 1.01 -0.66 -4.40 121.20 123.46 1ckc s ILE 59 Ca 0.41 1.94 -0.30 0.00 0.00 0.00 0.00 60.65 62.71 1ckc s ILE 59 Cb -0.15 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 1ckc s ILE 59 CO 0.87 0.20 1.04 0.21 0.00 0.00 0.00 174.94 177.26 1ckc s ASN 60 N 0.71 7.36 0.31 3.58 3.84 -1.26 -0.89 114.94 128.59 1ckc s ASN 60 Ca 0.52 1.97 0.25 0.00 0.21 0.00 0.00 52.86 55.81 1ckc s ASN 60 Cb -0.23 -2.60 1.06 0.00 -0.55 0.00 0.00 41.25 38.93 1ckc s ASN 60 CO 0.29 -0.15 1.76 0.77 -2.79 0.00 0.00 177.10 176.98 1ckc h SER 61 N 5.30 0.00 0.38 -4.21 4.64 -1.48 -2.14 113.55 116.04 1ckc h SER 61 Ca -0.44 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.74 1ckc h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1ckc h SER 61 CO 0.72 0.00 -0.59 -0.09 -0.87 0.00 0.00 176.83 176.00 1ckc h ARG 62 N 0.00 0.21 0.00 4.77 2.43 -1.84 -3.39 114.38 116.56 1ckc h ARG 62 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1ckc h ARG 62 Cb 0.38 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1ckc h ARG 62 CO 0.00 0.74 -0.92 0.66 -1.51 0.00 0.00 179.97 178.94 1ckc n TYR 63 N -3.88 0.00 -0.10 2.20 4.01 -1.21 -0.39 117.16 117.79 1ckc n TYR 63 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 1ckc n TYR 63 Cb 0.61 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.52 1ckc n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1ckc n TRP 64 N -1.84 0.00 -4.20 -0.72 7.02 -0.81 -1.54 117.44 115.35 1ckc n TRP 64 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 1ckc n TRP 64 Cb 0.43 -0.84 -0.10 0.00 -2.42 0.00 0.00 31.31 28.37 1ckc n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ckc s ASN 66 N -3.10 5.93 0.00 0.00 2.47 -0.17 -4.58 114.94 115.49 1ckc s ASN 66 Ca 0.17 0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.52 1ckc s ASN 66 Cb 0.05 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.79 1ckc s ASN 66 CO -0.01 0.08 0.61 -0.90 -3.72 0.00 0.00 177.10 173.16 1ckc n ASP 67 N 4.19 1.20 0.00 -4.21 5.68 -1.26 -1.31 116.55 120.84 1ckc n ASP 67 Ca -0.15 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 1ckc n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1ckc n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckc n GLY 68 N -0.13 1.84 0.93 6.12 0.00 -1.26 -4.72 105.19 107.98 1ckc n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1ckc n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckc n LYS 69 N -1.03 2.13 -3.28 1.61 2.85 -1.26 -4.91 118.16 114.28 1ckc n LYS 69 Ca 0.00 -1.96 -0.40 0.00 -1.05 0.00 0.00 58.31 54.90 1ckc n LYS 69 Cb 0.00 -1.43 -0.08 0.00 -0.65 0.00 0.00 35.03 32.87 1ckc n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ckc s THR 70 N -1.53 5.07 0.39 0.58 2.01 -1.26 -4.96 115.64 115.94 1ckc s THR 70 Ca 0.30 0.55 -0.27 0.00 0.31 0.00 0.00 61.69 62.58 1ckc s THR 70 Cb 0.19 -3.86 -0.11 0.00 0.01 0.00 0.00 72.50 68.73 1ckc s THR 70 CO 0.27 -0.04 1.41 -2.65 -0.69 0.00 0.00 174.62 172.93 1ckc n PRO 71 N 5.58 2.39 -3.84 4.92 -0.02 -1.26 -3.16 135.00 139.61 1ckc n PRO 71 Ca -0.05 0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 1ckc n PRO 71 Cb 0.50 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 1ckc n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ckc n GLY 72 N 0.58 -0.47 3.91 -1.23 0.00 -1.26 -4.94 105.19 101.78 1ckc n GLY 72 Ca 0.03 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1ckc n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckc s ALA 73 N -3.13 3.73 0.43 4.61 0.00 -1.19 -4.98 121.76 121.22 1ckc s ALA 73 Ca 0.60 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1ckc s ALA 73 Cb -0.32 -2.15 -0.06 0.00 0.00 0.00 0.00 23.12 20.59 1ckc s ALA 73 CO 0.74 0.38 0.08 0.14 0.00 0.00 0.00 175.76 177.09 1ckc s VAL 74 N -1.94 1.99 -0.47 0.00 -7.23 0.47 -5.00 120.40 108.22 1ckc s VAL 74 Ca 0.41 -1.89 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 1ckc s VAL 74 Cb -0.11 -2.88 0.25 0.00 0.56 0.00 0.00 36.38 34.20 1ckc s VAL 74 CO 0.29 0.00 0.58 -3.20 -0.31 0.00 0.00 175.10 172.46 1ckc n ASN 75 N -1.11 1.24 0.14 4.85 5.15 -1.25 -3.93 115.26 120.35 1ckc n ASN 75 Ca -0.05 -2.91 0.06 0.00 -0.60 0.00 0.00 54.58 51.08 1ckc n ASN 75 Cb 0.66 -0.65 0.54 0.00 -0.53 0.00 0.00 39.78 39.80 1ckc n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ckc h ALA 76 N 4.10 1.86 -0.00 5.20 0.00 -1.32 -1.25 119.26 127.85 1ckc h ALA 76 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ckc h ALA 76 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ckc h ALA 76 CO 0.57 0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.83 1ckc n HIS 78 N -1.32 -1.96 -4.01 0.00 -0.00 -0.47 -4.98 115.22 102.48 1ckc n HIS 78 Ca 0.10 0.83 -0.08 0.00 -0.00 0.00 0.00 57.72 58.57 1ckc n HIS 78 Cb 0.30 -4.42 -0.10 0.00 -0.00 0.00 0.00 29.99 25.77 1ckc n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ckc s LEU 79 N -6.58 2.28 0.34 2.41 1.43 -1.26 -5.07 118.68 112.22 1ckc s LEU 79 Ca 0.04 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.20 1ckc s LEU 79 Cb -0.01 0.20 -0.10 0.00 0.03 0.00 0.00 46.19 46.31 1ckc s LEU 79 CO 0.80 -0.43 0.96 -0.55 0.23 0.00 0.00 176.35 177.36 1ckc s SER 80 N -2.07 7.25 0.58 2.29 0.15 -1.26 -1.00 113.70 119.64 1ckc s SER 80 Ca -0.06 1.86 0.32 0.00 0.70 0.00 0.00 55.95 58.77 1ckc s SER 80 Cb -0.02 -2.58 1.77 0.00 -1.71 0.00 0.00 66.02 63.47 1ckc s SER 80 CO -0.05 -0.13 2.19 0.00 1.20 0.00 0.00 173.24 176.45 1ckc h SER 82 N 0.00 0.33 0.04 0.00 0.87 -1.91 -0.99 113.55 111.88 1ckc h SER 82 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ckc h SER 82 Cb 0.16 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1ckc h SER 82 CO 0.01 0.21 -0.02 0.00 -0.53 0.00 0.00 176.83 176.50 1ckc h ALA 83 N 1.74 1.59 -0.26 6.23 0.00 -1.61 -1.08 119.26 125.87 1ckc h ALA 83 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ckc h ALA 83 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ckc h ALA 83 CO -0.05 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1ckc n LEU 84 N -3.97 1.52 -0.28 0.00 4.77 -0.38 -3.52 117.00 115.14 1ckc n LEU 84 Ca -0.03 -0.74 0.03 0.00 -0.03 0.00 0.00 56.01 55.24 1ckc n LEU 84 Cb 0.10 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1ckc n LEU 84 CO 0.29 0.37 0.51 0.18 -1.33 0.00 0.00 177.39 177.41 1ckc n LEU 85 N 0.31 2.20 -4.84 2.23 4.77 -0.41 -3.36 117.00 117.90 1ckc n LEU 85 Ca 0.11 -1.77 -0.31 0.00 -0.03 0.00 0.00 56.01 54.01 1ckc n LEU 85 Cb 0.25 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1ckc n LEU 85 CO 0.08 0.54 0.71 -1.10 -1.33 0.00 0.00 177.39 176.29 1ckc s GLN 86 N -0.87 3.39 0.24 3.23 -0.21 -1.23 -4.48 119.66 119.72 1ckc s GLN 86 Ca 0.10 0.88 0.06 0.00 0.02 0.00 0.00 55.36 56.42 1ckc s GLN 86 Cb 0.05 -2.05 0.26 0.00 1.00 0.00 0.00 33.01 32.27 1ckc s GLN 86 CO 0.07 -0.74 1.56 -0.44 -2.12 0.00 0.00 175.29 173.62 1ckc h ASP 87 N -0.25 0.21 -3.32 5.90 5.19 -1.93 -3.41 116.42 118.82 1ckc h ASP 87 Ca -0.44 -0.12 -0.57 0.00 -0.62 0.00 0.00 57.03 55.27 1ckc h ASP 87 Cb 1.20 -0.06 -0.07 0.00 0.18 0.00 0.00 39.33 40.58 1ckc h ASP 87 CO 0.60 0.78 0.82 0.21 -3.12 0.00 0.00 179.24 178.53 1ckc s ASN 88 N -6.89 6.92 -0.04 6.45 3.84 -1.26 -4.93 114.94 119.03 1ckc s ASN 88 Ca -0.03 1.03 0.09 0.00 0.21 0.00 0.00 52.86 54.16 1ckc s ASN 88 Cb 0.12 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.63 1ckc s ASN 88 CO 0.79 -0.87 1.21 2.30 -2.79 0.00 0.00 177.10 177.74 1ckc n ILE 89 N 5.85 0.82 -0.12 -5.21 -5.35 -1.26 -4.43 119.36 109.65 1ckc n ILE 89 Ca 0.12 -0.56 -0.05 0.00 -0.27 0.00 0.00 62.75 61.98 1ckc n ILE 89 Cb 0.47 -0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.40 1ckc n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ckc h ALA 90 N 3.40 0.49 -0.46 -1.28 0.00 -1.95 -0.37 119.26 119.08 1ckc h ALA 90 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ckc h ALA 90 Cb 0.77 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ckc h ALA 90 CO 0.09 -0.22 -0.17 -0.44 0.00 0.00 0.00 179.25 178.52 1ckc h ASP 91 N 0.34 0.95 -0.92 0.00 3.32 -1.87 -1.11 116.42 117.12 1ckc h ASP 91 Ca 0.18 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1ckc h ASP 91 Cb 0.15 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1ckc h ASP 91 CO -0.17 1.11 0.58 0.00 -1.72 0.00 0.00 179.24 179.04 1ckc h ALA 92 N 0.86 1.29 -0.31 3.45 0.00 -1.73 -1.28 119.26 121.54 1ckc h ALA 92 Ca 0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1ckc h ALA 92 Cb 0.73 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ckc h ALA 92 CO 0.06 0.63 -0.14 0.28 0.00 0.00 0.00 179.25 180.07 1ckc h VAL 93 N 1.26 1.29 -0.98 0.00 2.07 -0.82 0.09 116.25 119.15 1ckc h VAL 93 Ca 0.33 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1ckc h VAL 93 Cb -0.09 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1ckc h VAL 93 CO -0.07 0.40 0.65 0.00 0.02 0.00 0.00 177.57 178.57 1ckc h ALA 94 N 0.76 1.27 -0.27 1.67 0.00 -0.83 -1.00 119.26 120.87 1ckc h ALA 94 Ca 0.07 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1ckc h ALA 94 Cb 0.67 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ckc h ALA 94 CO 0.04 0.60 -0.56 0.00 0.00 0.00 0.00 179.25 179.33 1ckc h ALA 96 N 0.74 1.11 -0.85 0.00 0.00 -0.61 -0.77 119.26 118.87 1ckc h ALA 96 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ckc h ALA 96 Cb 1.16 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1ckc h ALA 96 CO 0.12 0.50 0.45 0.87 0.00 0.00 0.00 179.25 181.20 1ckc h LYS 97 N 1.18 1.20 -0.28 0.00 1.57 -1.02 -2.61 116.57 116.60 1ckc h LYS 97 Ca 0.32 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1ckc h LYS 97 Cb -0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.94 1ckc h LYS 97 CO -0.07 0.88 0.14 -0.09 -0.57 0.00 0.00 179.45 179.74 1ckc h ARG 98 N 1.20 0.40 -0.46 3.15 9.65 -0.78 -2.78 114.38 124.76 1ckc h ARG 98 Ca 0.30 -0.06 0.08 0.00 -1.10 0.00 0.00 59.98 59.20 1ckc h ARG 98 Cb 0.05 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.49 1ckc h ARG 98 CO -0.05 0.38 0.06 0.28 2.80 0.00 0.00 179.97 183.44 1ckc h VAL 99 N 0.32 0.72 0.00 0.20 2.07 -0.84 -1.85 116.25 116.87 1ckc h VAL 99 Ca 0.10 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1ckc h VAL 99 Cb 0.10 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1ckc h VAL 99 CO -0.01 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.94 1ckc n VAL 100 N -5.14 0.28 0.67 2.57 0.24 -1.01 -2.46 118.33 113.47 1ckc n VAL 100 Ca 0.04 0.07 0.12 0.00 -2.04 0.00 0.00 64.34 62.53 1ckc n VAL 100 Cb 0.23 -0.68 0.47 0.00 -1.47 0.00 0.00 33.84 32.39 1ckc n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ckc n ARG 101 N -1.32 0.12 -2.09 7.34 0.63 -0.70 -4.14 116.66 116.50 1ckc n ARG 101 Ca 0.10 0.20 -0.30 0.00 -0.92 0.00 0.00 57.85 56.92 1ckc n ARG 101 Cb 0.20 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.45 1ckc n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ckc s ASP 102 N -3.74 6.28 0.37 6.15 1.11 -1.03 -4.98 116.67 120.83 1ckc s ASP 102 Ca 0.10 1.33 0.17 0.00 0.18 0.00 0.00 52.55 54.33 1ckc s ASP 102 Cb 0.13 -2.43 1.08 0.00 1.07 0.00 0.00 42.92 42.78 1ckc s ASP 102 CO 0.48 -0.77 1.71 1.55 1.18 0.00 0.00 175.17 179.32 1ckc h PRO 103 N -0.05 0.38 0.00 8.23 0.13 -1.88 -1.85 132.00 136.95 1ckc h PRO 103 Ca -0.45 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1ckc h PRO 103 Cb 1.19 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1ckc h PRO 103 CO 0.62 0.25 -0.22 1.96 -0.23 0.00 0.00 178.00 180.38 1ckc h GLN 104 N 0.39 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 115.17 1ckc h GLN 104 Ca 0.67 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.38 1ckc h GLN 104 Cb 1.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.39 1ckc h GLN 104 CO -0.43 0.22 0.00 0.41 -0.67 0.00 0.00 178.83 178.35 1ckc n GLY 105 N -0.25 2.57 0.29 3.46 0.00 -0.70 -2.03 105.19 108.52 1ckc n GLY 105 Ca -0.01 -0.40 0.18 0.00 0.00 0.00 0.00 46.02 45.79 1ckc n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ckc h ILE 106 N 0.00 0.14 0.00 -0.61 6.09 -1.91 -2.77 117.51 118.45 1ckc h ILE 106 Ca 0.00 -0.41 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 1ckc h ILE 106 Cb 0.00 1.36 0.00 0.00 0.47 0.00 0.00 36.82 38.65 1ckc h ILE 106 CO 0.00 0.04 0.00 0.54 -3.07 0.00 0.00 178.15 175.66 1ckc n ARG 107 N -3.21 0.01 0.24 2.19 1.74 -0.86 -2.71 116.66 114.06 1ckc n ARG 107 Ca -0.01 0.33 0.16 0.00 -0.77 0.00 0.00 57.85 57.56 1ckc n ARG 107 Cb 0.24 -1.50 0.85 0.00 -1.02 0.00 0.00 32.46 31.03 1ckc n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ckc h ALA 108 N 2.33 1.72 -2.80 7.54 0.00 -1.64 -3.37 119.26 123.05 1ckc h ALA 108 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1ckc h ALA 108 Cb 0.15 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.75 1ckc h ALA 108 CO 0.00 -0.19 -0.51 -1.58 0.00 0.00 0.00 179.25 176.97 1ckc s TRP 109 N -4.65 3.21 0.42 0.00 0.51 -1.10 -4.98 118.94 112.35 1ckc s TRP 109 Ca -0.05 -0.31 0.08 0.00 -2.12 0.00 0.00 56.10 53.71 1ckc s TRP 109 Cb 0.15 -2.42 0.91 0.00 -0.81 0.00 0.00 33.47 31.31 1ckc s TRP 109 CO 0.55 -0.37 2.07 0.28 -0.51 0.00 0.00 176.95 178.96 1ckc h VAL 110 N 5.54 1.08 -0.22 4.03 2.07 -1.89 -1.98 116.25 124.88 1ckc h VAL 110 Ca -0.32 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ckc h VAL 110 Cb 1.16 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1ckc h VAL 110 CO 0.62 0.09 0.15 0.00 0.02 0.00 0.00 177.57 178.45 1ckc h ALA 111 N 1.77 1.92 -0.52 1.67 0.00 -1.94 -1.50 119.26 120.66 1ckc h ALA 111 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ckc h ALA 111 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ckc h ALA 111 CO -0.03 0.05 0.08 2.35 0.00 0.00 0.00 179.25 181.70 1ckc h TRP 112 N 0.23 0.92 -0.53 0.00 7.01 -1.68 0.80 115.95 122.70 1ckc h TRP 112 Ca 0.09 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 60.93 1ckc h TRP 112 Cb 0.08 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 1ckc h TRP 112 CO -0.00 0.83 0.23 0.00 -2.79 0.00 0.00 178.44 176.71 1ckc h ARG 113 N 0.75 0.78 -0.18 2.65 3.08 -1.34 0.13 114.38 120.24 1ckc h ARG 113 Ca 0.16 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1ckc h ARG 113 Cb 0.41 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ckc h ARG 113 CO 0.01 0.67 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.45 1ckc h ASN 114 N 0.71 0.51 0.00 7.04 2.35 -1.12 -3.35 115.58 121.72 1ckc h ASN 114 Ca 0.18 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1ckc h ASN 114 Cb 0.17 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1ckc h ASN 114 CO -0.02 0.91 -0.55 0.54 -1.65 0.00 0.00 177.43 176.66 1ckc n ARG 115 N -4.44 3.35 0.00 0.81 5.12 0.25 -4.83 116.66 116.92 1ckc n ARG 115 Ca -0.06 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1ckc n ARG 115 Cb 0.42 -1.01 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 1ckc n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ckc n GLN 117 N -2.48 2.13 -1.69 0.00 7.27 0.20 -2.16 117.38 120.65 1ckc n GLN 117 Ca 0.00 0.77 -0.21 0.00 0.07 0.00 0.00 57.00 57.63 1ckc n GLN 117 Cb 0.50 -2.52 -0.08 0.00 2.41 0.00 0.00 30.24 30.55 1ckc n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ckc n ASN 118 N 3.18 -5.53 -4.78 1.69 5.03 -1.26 -4.98 115.26 108.62 1ckc n ASN 118 Ca 0.16 0.46 -0.24 0.00 0.87 0.00 0.00 54.58 55.84 1ckc n ASN 118 Cb 0.29 -4.85 -0.06 0.00 -1.02 0.00 0.00 39.78 34.14 1ckc n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ckc s ARG 119 N -3.90 2.31 -0.67 3.52 0.52 -0.92 -5.06 118.95 114.76 1ckc s ARG 119 Ca 0.00 -1.75 -0.25 0.00 -0.52 0.00 0.00 55.73 53.21 1ckc s ARG 119 Cb 0.00 -2.10 0.05 0.00 0.52 0.00 0.00 34.95 33.42 1ckc s ARG 119 CO 0.00 -0.13 1.12 0.34 0.02 0.00 0.00 175.30 176.65 1ckc s ASP 120 N -3.96 6.22 0.00 0.23 -1.08 -1.26 -4.86 116.67 111.95 1ckc s ASP 120 Ca 0.43 -0.57 0.19 0.00 -0.52 0.00 0.00 52.55 52.08 1ckc s ASP 120 Cb 0.02 -2.49 0.52 0.00 -1.46 0.00 0.00 42.92 39.50 1ckc s ASP 120 CO 0.24 -1.58 1.43 1.33 0.52 0.00 0.00 175.17 177.11 1ckc n VAL 121 N 6.23 0.58 -0.34 1.11 0.24 -1.26 -4.46 118.33 120.44 1ckc n VAL 121 Ca 0.01 -0.66 0.07 0.00 -2.04 0.00 0.00 64.34 61.72 1ckc n VAL 121 Cb 0.48 0.50 0.23 0.00 -1.47 0.00 0.00 33.84 33.57 1ckc n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ckc h ARG 122 N 3.28 0.85 -0.94 7.34 3.08 -1.93 -2.57 114.38 123.49 1ckc h ARG 122 Ca 0.00 -0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.26 1ckc h ARG 122 Cb 0.74 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1ckc h ARG 122 CO 0.00 0.56 0.66 -0.56 -1.07 0.00 0.00 179.97 179.56 1ckc h GLN 123 N 0.87 0.09 0.00 0.04 3.07 -1.97 -2.03 115.11 115.17 1ckc h GLN 123 Ca 0.48 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 59.18 1ckc h GLN 123 Cb 0.54 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.07 1ckc h GLN 123 CO -0.29 0.06 -0.16 1.88 0.09 0.00 0.00 178.83 180.41 1ckc h TYR 124 N 0.09 0.00 -0.00 0.06 0.05 -1.80 -3.24 116.97 112.13 1ckc h TYR 124 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.24 1ckc h TYR 124 Cb 1.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.42 1ckc h TYR 124 CO -0.00 0.16 -0.06 1.33 -1.05 0.00 0.00 178.16 178.54 1ckc n VAL 125 N -3.55 0.00 -1.68 -2.88 0.24 -0.81 -4.83 118.33 104.82 1ckc n VAL 125 Ca -0.01 -0.47 -0.45 0.00 -2.04 0.00 0.00 64.34 61.37 1ckc n VAL 125 Cb 0.31 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.67 1ckc n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ckc n GLN 126 N -0.41 2.41 -0.98 7.34 1.13 -0.93 -2.00 117.38 123.94 1ckc n GLN 126 Ca 0.01 0.87 0.00 0.00 -1.94 0.00 0.00 57.00 55.95 1ckc n GLN 126 Cb 0.06 -2.70 0.00 0.00 0.11 0.00 0.00 30.24 27.71 1ckc n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ckc n GLY 127 N 3.87 0.69 0.11 1.08 0.00 -1.26 -4.92 105.19 104.75 1ckc n GLY 127 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1ckc n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckc n GLY 129 N 1.39 0.16 0.00 0.00 0.00 -1.26 -4.82 105.19 100.66 1ckc n GLY 129 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ckc n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65