#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckd s VAL 2 N 0.00 3.85 0.58 3.15 1.01 -1.26 -0.84 120.40 126.89 1ckd s VAL 2 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 1ckd s VAL 2 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1ckd s VAL 2 CO 0.00 -0.34 1.12 -0.36 0.00 0.00 0.00 175.10 175.52 1ckd s PHE 3 N 1.38 2.66 0.24 5.22 0.40 -0.48 -5.01 117.98 122.38 1ckd s PHE 3 Ca 0.01 1.55 -0.10 0.00 -0.60 0.00 0.00 56.93 57.79 1ckd s PHE 3 Cb -0.21 -3.25 -0.07 0.00 0.51 0.00 0.00 43.02 39.99 1ckd s PHE 3 CO 0.02 -1.61 0.56 -1.21 0.70 0.00 0.00 175.22 173.68 1ckd s GLU 4 N -3.52 3.81 0.09 0.44 2.02 -1.26 -4.87 118.70 115.40 1ckd s GLU 4 Ca 0.71 0.30 -0.21 0.00 0.02 0.00 0.00 54.97 55.79 1ckd s GLU 4 Cb -0.23 -2.63 -0.07 0.00 0.10 0.00 0.00 34.13 31.30 1ckd s GLU 4 CO 0.31 0.30 1.35 -0.09 0.02 0.00 0.00 175.26 177.15 1ckd h ARG 5 N 2.50 -0.22 -0.29 1.61 2.43 -1.96 -1.83 114.38 116.63 1ckd h ARG 5 Ca -0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1ckd h ARG 5 Cb 1.17 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1ckd h ARG 5 CO 0.69 -0.14 -0.05 0.00 -1.51 0.00 0.00 179.97 178.95 1ckd h GLU 7 N 0.43 0.29 -0.67 0.00 4.81 -1.87 -1.40 114.58 116.16 1ckd h GLU 7 Ca 0.09 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1ckd h GLU 7 Cb 0.37 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1ckd h GLU 7 CO 0.02 0.19 0.30 1.25 -0.73 0.00 0.00 179.01 180.03 1ckd h LEU 8 N 0.29 0.91 -0.34 1.64 5.85 -1.00 -1.96 115.31 120.70 1ckd h LEU 8 Ca 0.13 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ckd h LEU 8 Cb 0.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1ckd h LEU 8 CO -0.11 0.81 0.20 0.00 -0.34 0.00 0.00 178.44 179.00 1ckd h ALA 9 N 1.13 0.42 -0.31 1.25 0.00 -0.91 0.13 119.26 120.98 1ckd h ALA 9 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1ckd h ALA 9 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ckd h ALA 9 CO -0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 179.25 178.88 1ckd h ARG 10 N 0.40 0.58 -0.17 0.00 3.08 -1.15 -2.13 114.38 114.99 1ckd h ARG 10 Ca 0.13 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1ckd h ARG 10 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1ckd h ARG 10 CO -0.06 0.73 0.01 1.15 -1.07 0.00 0.00 179.97 180.73 1ckd h THR 11 N 0.52 1.24 -0.81 2.04 2.02 -0.80 -2.10 112.91 115.01 1ckd h THR 11 Ca 0.08 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1ckd h THR 11 Cb 0.62 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1ckd h THR 11 CO 0.04 0.24 0.48 -0.07 0.37 0.00 0.00 175.52 176.58 1ckd h LEU 12 N 0.05 0.98 -0.59 2.58 3.38 -0.86 -1.68 115.31 119.17 1ckd h LEU 12 Ca 0.05 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ckd h LEU 12 Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ckd h LEU 12 CO 0.01 0.76 0.17 0.50 0.09 0.00 0.00 178.44 179.97 1ckd h LYS 13 N 1.12 0.92 -0.04 1.13 3.64 -1.22 -1.97 116.57 120.15 1ckd h LYS 13 Ca 0.29 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1ckd h LYS 13 Cb -0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1ckd h LYS 13 CO -0.05 0.83 -0.18 -0.09 -2.27 0.00 0.00 179.45 177.69 1ckd h ARG 14 N 0.83 0.06 -0.09 1.90 2.43 -0.82 -1.67 114.38 117.02 1ckd h ARG 14 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1ckd h ARG 14 Cb 0.30 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1ckd h ARG 14 CO -0.00 0.24 0.00 1.28 -1.51 0.00 0.00 179.97 179.97 1ckd n LEU 15 N -4.30 0.73 -0.78 3.80 4.77 -0.68 -4.92 117.00 115.62 1ckd n LEU 15 Ca -0.02 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 1ckd n LEU 15 Cb 0.26 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1ckd n LEU 15 CO 0.37 0.16 -0.05 0.61 -1.33 0.00 0.00 177.39 177.15 1ckd n GLY 16 N 0.87 0.21 0.15 -0.72 0.00 -0.63 -4.97 105.19 100.10 1ckd n GLY 16 Ca 0.12 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.63 1ckd n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ckd h MET 17 N -0.13 0.00 -6.19 1.61 2.86 -1.55 -3.41 114.93 108.12 1ckd h MET 17 Ca -0.14 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.93 1ckd h MET 17 Cb 1.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1ckd h MET 17 CO 0.16 0.07 1.32 0.34 1.06 0.00 0.00 176.91 179.86 1ckd s ASP 18 N -5.73 5.73 0.00 1.22 2.15 -1.26 -2.12 116.67 116.66 1ckd s ASP 18 Ca 0.02 1.30 0.00 0.00 0.43 0.00 0.00 52.55 54.30 1ckd s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1ckd s ASP 18 CO 0.75 -1.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.53 1ckd n GLY 19 N 5.51 0.75 3.65 2.66 0.00 0.88 -4.89 105.19 113.75 1ckd n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1ckd n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ckd n TYR 20 N -2.35 2.39 -3.61 1.61 9.36 -0.90 -1.15 117.16 122.51 1ckd n TYR 20 Ca 0.00 -0.32 -0.26 0.00 3.32 0.00 0.00 57.90 60.63 1ckd n TYR 20 Cb 0.00 -2.79 0.04 0.00 -0.63 0.00 0.00 39.34 35.96 1ckd n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ckd n ARG 21 N 7.83 -5.82 -1.02 2.98 5.12 -1.26 -1.38 116.66 123.11 1ckd n ARG 21 Ca 0.22 0.70 -0.01 0.00 -1.93 0.00 0.00 57.85 56.83 1ckd n ARG 21 Cb 0.42 -5.61 -0.00 0.00 -1.16 0.00 0.00 32.46 26.10 1ckd n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ckd n GLY 22 N -1.69 0.44 3.54 -0.13 0.00 -0.30 -5.01 105.19 102.05 1ckd n GLY 22 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1ckd n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckd s ILE 23 N -1.84 5.03 0.65 -0.61 1.01 -0.48 -4.90 121.20 120.06 1ckd s ILE 23 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 1ckd s ILE 23 Cb 0.00 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 1ckd s ILE 23 CO 0.00 0.23 1.12 -0.94 0.00 0.00 0.00 174.94 175.35 1ckd s SER 24 N 1.71 5.09 0.25 3.58 1.04 -1.26 -0.08 113.70 124.03 1ckd s SER 24 Ca 0.07 2.05 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 1ckd s SER 24 Cb -0.16 -2.56 0.40 0.00 0.10 0.00 0.00 66.02 63.80 1ckd s SER 24 CO 0.09 -1.64 1.83 0.25 0.98 0.00 0.00 173.24 174.75 1ckd h LEU 25 N 0.14 0.77 -1.90 2.42 5.85 -1.90 -1.08 115.31 119.60 1ckd h LEU 25 Ca -0.47 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1ckd h LEU 25 Cb 1.25 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1ckd h LEU 25 CO 0.54 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 179.10 1ckd h ALA 26 N 1.45 1.92 -0.12 1.25 0.00 -1.92 -0.74 119.26 121.11 1ckd h ALA 26 Ca 0.41 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.09 1ckd h ALA 26 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ckd h ALA 26 CO -0.22 0.06 -0.74 -0.91 0.00 0.00 0.00 179.25 177.44 1ckd h ASN 27 N 0.06 0.68 -0.54 0.00 2.35 -1.52 -1.27 115.58 115.35 1ckd h ASN 27 Ca 0.02 -0.44 -0.10 0.00 -0.55 0.00 0.00 56.30 55.22 1ckd h ASN 27 Cb 0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1ckd h ASN 27 CO -0.00 1.21 -0.05 -0.50 -1.65 0.00 0.00 177.43 176.43 1ckd h TRP 28 N 0.40 1.10 -0.34 1.19 4.06 -1.06 -1.54 115.95 119.76 1ckd h TRP 28 Ca -0.04 -0.20 -0.02 0.00 2.06 0.00 0.00 58.89 60.69 1ckd h TRP 28 Cb 1.34 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 1ckd h TRP 28 CO 0.06 1.00 0.14 0.52 -3.56 0.00 0.00 178.44 176.60 1ckd h MET 29 N 0.91 0.50 -0.91 0.49 2.86 -1.08 -1.38 114.93 116.33 1ckd h MET 29 Ca 0.15 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1ckd h MET 29 Cb 0.60 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1ckd h MET 29 CO 0.04 0.50 0.59 0.00 1.06 0.00 0.00 176.91 179.10 1ckd h LEU 31 N 1.19 -0.13 -1.11 0.00 5.85 -1.03 -2.25 115.31 117.83 1ckd h LEU 31 Ca 0.34 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1ckd h LEU 31 Cb -0.08 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1ckd h LEU 31 CO -0.09 0.03 0.31 0.00 -0.34 0.00 0.00 178.44 178.35 1ckd h ALA 32 N 0.59 1.31 -0.12 1.25 0.00 -1.02 0.14 119.26 121.41 1ckd h ALA 32 Ca -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ckd h ALA 32 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ckd h ALA 32 CO 0.03 0.53 0.07 -0.22 0.00 0.00 0.00 179.25 179.66 1ckd h LYS 33 N 0.93 0.16 0.00 0.00 1.63 -1.03 -1.98 116.57 116.28 1ckd h LYS 33 Ca 0.23 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 1ckd h LYS 33 Cb 0.11 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1ckd h LYS 33 CO -0.03 0.13 -0.45 -1.49 -3.45 0.00 0.00 179.45 174.16 1ckd h TRP 34 N 0.13 0.00 0.14 1.91 4.06 -1.14 -1.45 115.95 119.61 1ckd h TRP 34 Ca 0.04 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.80 1ckd h TRP 34 Cb 0.01 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.19 1ckd h TRP 34 CO -0.06 0.45 -0.85 0.93 -3.56 0.00 0.00 178.44 175.35 1ckd h GLU 35 N 0.00 0.30 0.00 0.49 4.39 -0.95 -3.43 114.58 115.37 1ckd h GLU 35 Ca -0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1ckd h GLU 35 Cb 1.33 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1ckd h GLU 35 CO 0.06 1.24 0.00 -1.13 -1.16 0.00 0.00 179.01 178.02 1ckd n SER 36 N -4.11 0.11 -0.94 1.42 3.41 -0.80 -4.85 113.62 107.85 1ckd n SER 36 Ca -0.14 -0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 57.93 1ckd n SER 36 Cb 0.83 0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1ckd n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ckd n GLY 37 N 0.19 0.04 2.51 5.00 0.00 -0.54 -2.77 105.19 109.61 1ckd n GLY 37 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 1ckd n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ckd n TYR 38 N -4.00 -1.13 -3.75 1.61 4.01 -1.10 -4.80 117.16 108.00 1ckd n TYR 38 Ca -0.10 0.18 -0.37 0.00 -0.16 0.00 0.00 57.90 57.45 1ckd n TYR 38 Cb 0.57 -3.58 -0.12 0.00 -0.31 0.00 0.00 39.34 35.90 1ckd n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1ckd s ASN 39 N -2.47 5.16 0.53 7.72 2.47 -1.11 -1.38 114.94 125.86 1ckd s ASN 39 Ca 0.10 -0.52 0.32 0.00 0.42 0.00 0.00 52.86 53.18 1ckd s ASN 39 Cb -0.05 -1.91 1.19 0.00 -1.45 0.00 0.00 41.25 39.04 1ckd s ASN 39 CO 0.13 -0.14 1.92 0.71 -3.72 0.00 0.00 177.10 176.00 1ckd h THR 40 N 5.73 0.01 -0.68 -5.21 1.35 -1.32 -3.13 112.91 109.66 1ckd h THR 40 Ca -0.34 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1ckd h THR 40 Cb 1.15 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1ckd h THR 40 CO 0.60 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.76 1ckd n ARG 41 N -3.10 2.74 -1.96 4.72 1.85 -1.26 -4.05 116.66 115.61 1ckd n ARG 41 Ca 0.01 -2.50 -0.42 0.00 -1.00 0.00 0.00 57.85 53.94 1ckd n ARG 41 Cb 0.34 -1.58 -0.03 0.00 -1.05 0.00 0.00 32.46 30.14 1ckd n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ckd s ALA 42 N -1.20 3.72 -0.03 2.89 0.00 -1.19 -4.83 121.76 121.12 1ckd s ALA 42 Ca 0.46 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.79 1ckd s ALA 42 Cb 0.25 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1ckd s ALA 42 CO 0.30 -0.78 -0.01 0.08 0.00 0.00 0.00 175.76 175.35 1ckd s VAL 43 N 0.65 0.25 -0.14 0.00 1.01 -1.26 -0.98 120.40 119.92 1ckd s VAL 43 Ca 0.66 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1ckd s VAL 43 Cb -0.43 -0.32 0.05 0.00 0.00 0.00 0.00 36.38 35.68 1ckd s VAL 43 CO 0.37 0.15 0.03 0.20 0.00 0.00 0.00 175.10 175.85 1ckd s ASN 44 N 0.91 2.31 0.13 3.32 -0.87 -0.68 -4.99 114.94 115.06 1ckd s ASN 44 Ca -0.10 -0.50 -0.29 0.00 -1.57 0.00 0.00 52.86 50.40 1ckd s ASN 44 Cb -0.13 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.25 40.56 1ckd s ASN 44 CO -0.01 -0.27 0.92 -0.47 -2.57 0.00 0.00 177.10 174.69 1ckd s TYR 45 N 1.95 3.84 -0.67 2.20 5.04 -1.26 -0.97 117.35 127.47 1ckd s TYR 45 Ca 0.02 1.76 -0.10 0.00 -2.44 0.00 0.00 57.07 56.31 1ckd s TYR 45 Cb -0.15 -2.99 0.17 0.00 0.35 0.00 0.00 41.96 39.35 1ckd s TYR 45 CO -0.07 0.28 0.56 -0.80 -1.34 0.00 0.00 175.55 174.18 1ckd s ASN 46 N -0.28 6.04 0.45 4.32 0.01 0.38 -4.93 114.94 120.93 1ckd s ASN 46 Ca 0.44 -2.52 0.19 0.00 -0.71 0.00 0.00 52.86 50.26 1ckd s ASN 46 Cb -0.23 -2.06 1.16 0.00 0.41 0.00 0.00 41.25 40.52 1ckd s ASN 46 CO 0.29 -0.56 1.92 0.00 -1.51 0.00 0.00 177.10 177.24 1ckd h ALA 47 N 7.77 2.26 -0.60 0.60 0.00 -1.95 -0.55 119.26 126.80 1ckd h ALA 47 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ckd h ALA 47 Cb 1.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1ckd h ALA 47 CO 0.79 -0.47 0.36 0.78 0.00 0.00 0.00 179.25 180.70 1ckd h GLY 48 N 0.30 0.86 0.00 0.00 0.00 -1.94 -3.30 103.07 98.99 1ckd h GLY 48 Ca 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ckd h GLY 48 CO -0.10 0.34 0.00 2.09 0.00 0.00 0.00 176.54 178.87 1ckd n ASP 49 N -4.41 1.02 -1.03 0.19 5.75 -1.02 -5.02 116.55 112.02 1ckd n ASP 49 Ca 0.06 -1.46 -0.13 0.00 -0.01 0.00 0.00 54.79 53.24 1ckd n ASP 49 Cb 0.07 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 1ckd n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ckd n ARG 50 N -0.23 -0.91 -3.66 0.11 1.74 -0.24 -4.85 116.66 108.60 1ckd n ARG 50 Ca 0.00 0.94 -0.20 0.00 -0.77 0.00 0.00 57.85 57.82 1ckd n ARG 50 Cb 0.32 -5.00 -0.03 0.00 -1.02 0.00 0.00 32.46 26.73 1ckd n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ckd s SER 51 N -2.84 5.38 0.00 0.55 1.04 -1.22 -4.49 113.70 112.12 1ckd s SER 51 Ca 0.00 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1ckd s SER 51 Cb 0.00 -0.92 -0.01 0.00 0.10 0.00 0.00 66.02 65.19 1ckd s SER 51 CO 0.00 -0.45 -0.08 -0.89 0.98 0.00 0.00 173.24 172.81 1ckd s THR 52 N -2.32 0.60 -0.17 2.02 2.01 -1.26 -0.47 115.64 116.04 1ckd s THR 52 Ca 0.44 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 1ckd s THR 52 Cb -0.06 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 1ckd s THR 52 CO 0.28 0.09 0.15 -1.81 -0.69 0.00 0.00 174.62 172.64 1ckd s ASP 53 N -0.39 6.28 -0.05 3.53 1.01 -0.14 -1.21 116.67 125.71 1ckd s ASP 53 Ca 0.01 0.32 0.06 0.00 0.71 0.00 0.00 52.55 53.65 1ckd s ASP 53 Cb -0.04 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 1ckd s ASP 53 CO -0.00 0.23 -0.22 -0.31 0.21 0.00 0.00 175.17 175.08 1ckd s TYR 54 N 0.02 2.15 0.00 4.23 1.51 -0.05 -1.69 117.35 123.52 1ckd s TYR 54 Ca 0.11 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 1ckd s TYR 54 Cb -0.12 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1ckd s TYR 54 CO 0.00 -0.17 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 1ckd n GLY 55 N 2.92 -2.10 0.31 0.71 0.00 -0.15 -1.64 105.19 105.24 1ckd n GLY 55 Ca -0.17 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.54 1ckd n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ckd h ILE 56 N -0.00 0.91 -0.22 -0.61 2.10 -1.69 -0.97 117.51 117.03 1ckd h ILE 56 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.90 1ckd h ILE 56 Cb 0.00 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1ckd h ILE 56 CO 0.00 0.02 0.00 0.49 -1.08 0.00 0.00 178.15 177.58 1ckd n PHE 57 N -4.47 0.27 -3.73 2.19 3.72 -1.26 -4.05 117.46 110.12 1ckd n PHE 57 Ca 0.03 -0.17 -0.32 0.00 -0.05 0.00 0.00 57.45 56.94 1ckd n PHE 57 Cb 0.29 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.86 1ckd n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ckd n GLN 58 N 1.15 -1.29 -2.69 -1.08 1.13 -0.37 -4.91 117.38 109.33 1ckd n GLN 58 Ca 0.14 0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 55.21 1ckd n GLN 58 Cb 0.51 -4.02 -0.03 0.00 0.11 0.00 0.00 30.24 26.80 1ckd n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ckd s ILE 59 N -3.50 4.69 0.16 5.09 1.01 -0.65 -4.47 121.20 123.53 1ckd s ILE 59 Ca 0.45 2.00 -0.30 0.00 0.00 0.00 0.00 60.65 62.80 1ckd s ILE 59 Cb -0.17 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 1ckd s ILE 59 CO 0.87 0.20 1.00 0.21 0.00 0.00 0.00 174.94 177.22 1ckd s ASN 60 N 0.74 7.45 0.22 3.58 3.84 -1.26 -0.87 114.94 128.64 1ckd s ASN 60 Ca 0.51 1.92 0.23 0.00 0.21 0.00 0.00 52.86 55.73 1ckd s ASN 60 Cb -0.22 -2.60 0.93 0.00 -0.55 0.00 0.00 41.25 38.81 1ckd s ASN 60 CO 0.29 -0.08 1.70 -1.54 -2.79 0.00 0.00 177.10 174.68 1ckd n SER 61 N 2.42 0.62 0.11 -4.21 3.41 -0.35 -2.04 113.62 113.59 1ckd n SER 61 Ca 0.02 0.64 -0.03 0.00 -0.26 0.00 0.00 58.87 59.23 1ckd n SER 61 Cb 0.48 -0.77 0.13 0.00 -0.26 0.00 0.00 64.21 63.79 1ckd n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ckd h ARG 62 N 0.00 0.10 0.00 4.33 2.43 -1.83 -3.40 114.38 116.01 1ckd h ARG 62 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ckd h ARG 62 Cb 0.41 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ckd h ARG 62 CO 0.00 0.70 -0.99 0.66 -1.51 0.00 0.00 179.97 178.84 1ckd n TYR 63 N -3.81 0.00 -0.12 2.20 4.01 -1.21 -0.13 117.16 118.10 1ckd n TYR 63 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1ckd n TYR 63 Cb 0.63 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.54 1ckd n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1ckd n TRP 64 N -2.13 0.00 -4.21 -0.72 7.02 -0.87 -1.11 117.44 115.42 1ckd n TRP 64 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 1ckd n TRP 64 Cb 0.49 -0.95 -0.10 0.00 -2.42 0.00 0.00 31.31 28.33 1ckd n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ckd s ASN 66 N -3.11 5.83 0.00 0.00 2.47 -0.27 -4.54 114.94 115.32 1ckd s ASN 66 Ca 0.16 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.48 1ckd s ASN 66 Cb 0.05 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.81 1ckd s ASN 66 CO -0.01 0.05 0.66 -0.90 -3.72 0.00 0.00 177.10 173.18 1ckd n ASP 67 N 4.35 1.32 0.00 -4.21 5.68 -1.26 -1.15 116.55 121.28 1ckd n ASP 67 Ca -0.15 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1ckd n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1ckd n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckd n GLY 68 N -0.12 1.84 0.80 6.12 0.00 -1.26 -4.71 105.19 107.86 1ckd n GLY 68 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1ckd n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckd n LYS 69 N -1.30 1.94 -3.27 1.61 2.85 -1.26 -4.92 118.16 113.80 1ckd n LYS 69 Ca 0.00 -1.85 -0.40 0.00 -1.05 0.00 0.00 58.31 55.01 1ckd n LYS 69 Cb 0.00 -1.36 -0.08 0.00 -0.65 0.00 0.00 35.03 32.94 1ckd n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ckd s THR 70 N -1.26 5.10 0.47 0.58 2.01 -1.26 -4.98 115.64 116.30 1ckd s THR 70 Ca 0.26 0.80 -0.24 0.00 0.31 0.00 0.00 61.69 62.82 1ckd s THR 70 Cb 0.16 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 1ckd s THR 70 CO 0.23 0.10 1.41 -2.84 -0.69 0.00 0.00 174.62 172.83 1ckd s PRO 71 N 2.25 3.57 -1.70 4.92 0.02 -1.26 -3.36 135.00 139.43 1ckd s PRO 71 Ca 0.20 2.38 -0.16 0.00 0.02 0.00 0.00 61.00 63.44 1ckd s PRO 71 Cb -0.16 -2.57 0.14 0.00 0.02 0.00 0.00 34.50 31.94 1ckd s PRO 71 CO 0.09 -0.90 0.61 0.41 -0.33 0.00 0.00 177.00 176.88 1ckd n GLY 72 N 0.61 -0.37 3.92 0.52 0.00 -1.26 -4.93 105.19 103.68 1ckd n GLY 72 Ca 0.06 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1ckd n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckd s ALA 73 N -3.48 3.84 0.41 4.61 0.00 -1.22 -4.98 121.76 120.94 1ckd s ALA 73 Ca 0.59 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.83 1ckd s ALA 73 Cb -0.33 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.71 1ckd s ALA 73 CO 0.96 0.49 0.05 0.14 0.00 0.00 0.00 175.76 177.39 1ckd s VAL 74 N -1.82 2.08 -0.49 0.00 -7.23 0.82 -5.00 120.40 108.76 1ckd s VAL 74 Ca 0.39 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 1ckd s VAL 74 Cb -0.11 -2.99 0.23 0.00 0.56 0.00 0.00 36.38 34.07 1ckd s VAL 74 CO 0.28 -0.00 0.56 -3.20 -0.31 0.00 0.00 175.10 172.43 1ckd n ASN 75 N -1.03 1.41 0.14 4.85 5.15 -1.24 -3.85 115.26 120.69 1ckd n ASN 75 Ca -0.04 -2.92 0.05 0.00 -0.60 0.00 0.00 54.58 51.07 1ckd n ASN 75 Cb 0.66 -0.65 0.49 0.00 -0.53 0.00 0.00 39.78 39.76 1ckd n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ckd h ALA 76 N 4.38 1.75 -0.00 5.20 0.00 -1.13 -1.72 119.26 127.73 1ckd h ALA 76 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ckd h ALA 76 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ckd h ALA 76 CO 0.58 0.20 -0.13 0.00 0.00 0.00 0.00 179.25 179.90 1ckd n HIS 78 N -0.84 -1.90 -3.96 0.00 -0.00 -0.65 -4.98 115.22 102.90 1ckd n HIS 78 Ca 0.14 0.72 -0.09 0.00 -0.00 0.00 0.00 57.72 58.49 1ckd n HIS 78 Cb 0.29 -4.01 -0.11 0.00 -0.00 0.00 0.00 29.99 26.16 1ckd n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ckd s LEU 79 N -6.58 2.17 0.35 2.41 1.43 -1.26 -5.07 118.68 112.12 1ckd s LEU 79 Ca 0.16 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.57 1ckd s LEU 79 Cb -0.05 0.12 -0.09 0.00 0.03 0.00 0.00 46.19 46.20 1ckd s LEU 79 CO 0.83 -0.27 1.04 -0.55 0.23 0.00 0.00 176.35 177.64 1ckd s SER 80 N -1.27 7.03 0.63 2.29 0.15 -1.26 -1.11 113.70 120.15 1ckd s SER 80 Ca -0.14 2.07 0.38 0.00 0.70 0.00 0.00 55.95 58.96 1ckd s SER 80 Cb -0.09 -2.60 2.11 0.00 -1.71 0.00 0.00 66.02 63.73 1ckd s SER 80 CO -0.01 -0.30 2.29 0.00 1.20 0.00 0.00 173.24 176.43 1ckd h SER 82 N 0.00 0.31 0.24 0.00 0.87 -1.91 -1.36 113.55 111.70 1ckd h SER 82 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1ckd h SER 82 Cb 0.06 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1ckd h SER 82 CO 0.00 0.21 -0.03 0.00 -0.53 0.00 0.00 176.83 176.48 1ckd h ALA 83 N 1.77 1.19 -0.25 6.23 0.00 -1.63 -1.67 119.26 124.90 1ckd h ALA 83 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ckd h ALA 83 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ckd h ALA 83 CO -0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ckd n LEU 84 N -3.41 1.65 -0.43 0.00 4.77 -0.51 -3.62 117.00 115.45 1ckd n LEU 84 Ca -0.02 -0.77 0.04 0.00 -0.03 0.00 0.00 56.01 55.23 1ckd n LEU 84 Cb 0.15 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1ckd n LEU 84 CO 0.25 0.38 0.57 0.18 -1.33 0.00 0.00 177.39 177.44 1ckd n LEU 85 N 0.35 2.53 -4.83 2.23 4.77 -0.63 -3.47 117.00 117.96 1ckd n LEU 85 Ca 0.13 -1.89 -0.31 0.00 -0.03 0.00 0.00 56.01 53.91 1ckd n LEU 85 Cb 0.29 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1ckd n LEU 85 CO 0.10 0.62 0.71 -1.10 -1.33 0.00 0.00 177.39 176.39 1ckd s GLN 86 N -0.96 3.32 0.23 3.23 -0.21 -1.24 -4.53 119.66 119.51 1ckd s GLN 86 Ca 0.15 0.94 0.05 0.00 0.02 0.00 0.00 55.36 56.52 1ckd s GLN 86 Cb 0.08 -2.04 0.24 0.00 1.00 0.00 0.00 33.01 32.29 1ckd s GLN 86 CO 0.11 -0.79 1.55 -0.44 -2.12 0.00 0.00 175.29 173.60 1ckd h ASP 87 N -0.21 0.24 -3.18 5.90 3.32 -1.94 -3.41 116.42 117.15 1ckd h ASP 87 Ca -0.45 -0.14 -0.58 0.00 0.02 0.00 0.00 57.03 55.88 1ckd h ASP 87 Cb 1.20 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 1ckd h ASP 87 CO 0.59 0.81 0.69 0.21 -1.72 0.00 0.00 179.24 179.81 1ckd s ASN 88 N -6.89 6.98 -0.05 6.45 3.84 -1.26 -4.92 114.94 119.09 1ckd s ASN 88 Ca -0.04 1.21 0.11 0.00 0.21 0.00 0.00 52.86 54.35 1ckd s ASN 88 Cb 0.12 -2.50 0.39 0.00 -0.55 0.00 0.00 41.25 38.70 1ckd s ASN 88 CO 0.80 -0.64 1.25 2.30 -2.79 0.00 0.00 177.10 178.02 1ckd n ILE 89 N 5.36 0.89 -0.14 -5.21 -5.35 -1.26 -4.48 119.36 109.17 1ckd n ILE 89 Ca 0.10 -0.62 -0.04 0.00 -0.27 0.00 0.00 62.75 61.92 1ckd n ILE 89 Cb 0.47 0.03 0.05 0.00 -1.74 0.00 0.00 39.64 38.45 1ckd n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ckd h ALA 90 N 3.51 0.51 -0.39 -1.28 0.00 -1.95 0.24 119.26 119.89 1ckd h ALA 90 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1ckd h ALA 90 Cb 0.82 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ckd h ALA 90 CO 0.10 -0.28 -0.33 -0.44 0.00 0.00 0.00 179.25 178.29 1ckd h ASP 91 N 0.26 0.93 -0.80 0.00 3.32 -1.87 -1.18 116.42 117.08 1ckd h ASP 91 Ca 0.21 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1ckd h ASP 91 Cb 0.25 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1ckd h ASP 91 CO -0.25 1.18 0.42 0.00 -1.72 0.00 0.00 179.24 178.86 1ckd h ALA 92 N 0.87 1.21 -0.33 3.45 0.00 -1.68 -1.02 119.26 121.77 1ckd h ALA 92 Ca 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1ckd h ALA 92 Cb 0.91 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ckd h ALA 92 CO 0.08 0.62 -0.18 0.28 0.00 0.00 0.00 179.25 180.05 1ckd h VAL 93 N 1.14 1.29 -0.87 0.00 2.07 -0.79 0.01 116.25 119.09 1ckd h VAL 93 Ca 0.28 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1ckd h VAL 93 Cb 0.06 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1ckd h VAL 93 CO -0.04 0.42 0.52 0.00 0.02 0.00 0.00 177.57 178.50 1ckd h ALA 94 N 0.77 1.28 -0.20 1.67 0.00 -0.87 -1.18 119.26 120.73 1ckd h ALA 94 Ca 0.07 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1ckd h ALA 94 Cb 0.72 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ckd h ALA 94 CO 0.05 0.62 -0.63 0.00 0.00 0.00 0.00 179.25 179.29 1ckd h ALA 96 N 0.76 1.20 -0.65 0.00 0.00 -0.64 -0.95 119.26 118.97 1ckd h ALA 96 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1ckd h ALA 96 Cb 1.22 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1ckd h ALA 96 CO 0.13 0.63 0.25 0.87 0.00 0.00 0.00 179.25 181.13 1ckd h LYS 97 N 1.16 0.96 -0.41 0.00 1.57 -1.10 -2.54 116.57 116.22 1ckd h LYS 97 Ca 0.29 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1ckd h LYS 97 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1ckd h LYS 97 CO -0.04 0.80 0.08 -0.09 -0.57 0.00 0.00 179.45 179.63 1ckd h ARG 98 N 0.95 0.66 -0.38 3.15 9.65 -0.97 -2.97 114.38 124.46 1ckd h ARG 98 Ca 0.22 -0.17 0.06 0.00 -1.10 0.00 0.00 59.98 58.99 1ckd h ARG 98 Cb 0.20 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 1ckd h ARG 98 CO -0.02 0.70 0.07 0.28 2.80 0.00 0.00 179.97 183.80 1ckd h VAL 99 N 0.52 0.80 0.00 0.20 2.07 -0.82 -1.73 116.25 117.30 1ckd h VAL 99 Ca 0.13 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ckd h VAL 99 Cb 0.34 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1ckd h VAL 99 CO 0.00 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.96 1ckd n VAL 100 N -5.10 0.21 1.15 2.57 0.24 -1.00 -2.30 118.33 114.10 1ckd n VAL 100 Ca 0.02 0.05 0.14 0.00 -2.04 0.00 0.00 64.34 62.52 1ckd n VAL 100 Cb 0.17 -0.69 0.64 0.00 -1.47 0.00 0.00 33.84 32.49 1ckd n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ckd n ARG 101 N -1.19 0.16 -2.38 7.34 1.74 -0.65 -4.22 116.66 117.47 1ckd n ARG 101 Ca 0.13 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 1ckd n ARG 101 Cb 0.14 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 1ckd n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ckd s ASP 102 N -2.85 6.45 0.36 0.55 1.11 -0.97 -4.97 116.67 116.34 1ckd s ASP 102 Ca 0.19 1.36 0.16 0.00 0.18 0.00 0.00 52.55 54.44 1ckd s ASP 102 Cb 0.19 -2.43 1.12 0.00 1.07 0.00 0.00 42.92 42.88 1ckd s ASP 102 CO 0.52 -0.62 1.67 1.55 1.18 0.00 0.00 175.17 179.46 1ckd h PRO 103 N 0.57 0.31 0.00 8.23 0.13 -1.89 -1.01 132.00 138.34 1ckd h PRO 103 Ca -0.46 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1ckd h PRO 103 Cb 1.19 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1ckd h PRO 103 CO 0.62 0.20 -0.22 1.96 -0.23 0.00 0.00 178.00 180.34 1ckd h GLN 104 N 0.32 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 115.10 1ckd h GLN 104 Ca 0.73 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.44 1ckd h GLN 104 Cb 1.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.52 1ckd h GLN 104 CO -0.55 0.22 0.00 0.41 -0.67 0.00 0.00 178.83 178.24 1ckd n GLY 105 N -0.60 2.40 0.28 3.46 0.00 -0.39 -2.25 105.19 108.09 1ckd n GLY 105 Ca -0.02 -0.45 0.17 0.00 0.00 0.00 0.00 46.02 45.72 1ckd n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ckd h ILE 106 N 0.00 0.21 0.00 -0.61 6.09 -1.91 -2.69 117.51 118.60 1ckd h ILE 106 Ca 0.00 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1ckd h ILE 106 Cb 0.00 1.38 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1ckd h ILE 106 CO 0.00 0.06 0.00 0.54 -3.07 0.00 0.00 178.15 175.68 1ckd n ARG 107 N -3.26 0.08 0.24 2.19 1.74 -0.95 -2.50 116.66 114.20 1ckd n ARG 107 Ca -0.01 0.47 0.17 0.00 -0.77 0.00 0.00 57.85 57.71 1ckd n ARG 107 Cb 0.25 -1.70 0.88 0.00 -1.02 0.00 0.00 32.46 30.87 1ckd n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ckd h ALA 108 N 2.16 1.64 -2.72 7.54 0.00 -1.63 -3.37 119.26 122.89 1ckd h ALA 108 Ca 0.00 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1ckd h ALA 108 Cb 0.13 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.73 1ckd h ALA 108 CO 0.00 -0.24 -0.49 -1.58 0.00 0.00 0.00 179.25 176.95 1ckd s TRP 109 N -4.52 3.22 0.37 0.00 0.51 -1.04 -4.97 118.94 112.51 1ckd s TRP 109 Ca -0.05 -0.33 0.05 0.00 -2.12 0.00 0.00 56.10 53.66 1ckd s TRP 109 Cb 0.14 -2.47 0.74 0.00 -0.81 0.00 0.00 33.47 31.08 1ckd s TRP 109 CO 0.50 -0.41 1.99 0.28 -0.51 0.00 0.00 176.95 178.81 1ckd h VAL 110 N 5.54 1.07 -0.42 4.03 2.07 -1.89 -1.21 116.25 125.44 1ckd h VAL 110 Ca -0.31 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1ckd h VAL 110 Cb 1.15 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1ckd h VAL 110 CO 0.64 0.13 0.28 0.00 0.02 0.00 0.00 177.57 178.64 1ckd h ALA 111 N 1.63 1.76 -0.60 1.67 0.00 -1.93 -1.75 119.26 120.05 1ckd h ALA 111 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ckd h ALA 111 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ckd h ALA 111 CO -0.07 0.20 0.30 2.35 0.00 0.00 0.00 179.25 182.03 1ckd h TRP 112 N 0.51 0.84 -0.56 0.00 7.01 -1.54 0.87 115.95 123.09 1ckd h TRP 112 Ca 0.16 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 1ckd h TRP 112 Cb 0.02 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 1ckd h TRP 112 CO -0.00 0.63 0.16 0.00 -2.79 0.00 0.00 178.44 176.45 1ckd h ARG 113 N 0.81 0.88 -0.28 2.65 3.08 -1.35 0.91 114.38 121.08 1ckd h ARG 113 Ca 0.21 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1ckd h ARG 113 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1ckd h ARG 113 CO -0.03 0.80 -0.24 -0.91 -1.07 0.00 0.00 179.97 178.52 1ckd h ASN 114 N 0.78 0.70 -0.00 7.04 2.35 -1.04 -3.35 115.58 122.06 1ckd h ASN 114 Ca 0.18 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1ckd h ASN 114 Cb 0.30 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1ckd h ASN 114 CO -0.00 1.01 -0.43 0.54 -1.65 0.00 0.00 177.43 176.90 1ckd n ARG 115 N -4.31 3.65 0.00 0.81 5.12 0.27 -4.86 116.66 117.34 1ckd n ARG 115 Ca -0.04 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1ckd n ARG 115 Cb 0.44 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 1ckd n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ckd n GLN 117 N -2.29 2.16 -1.76 0.00 7.27 -0.25 -2.31 117.38 120.19 1ckd n GLN 117 Ca 0.00 0.77 -0.20 0.00 0.07 0.00 0.00 57.00 57.64 1ckd n GLN 117 Cb 0.39 -2.45 -0.07 0.00 2.41 0.00 0.00 30.24 30.52 1ckd n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ckd n ASN 118 N 2.17 -5.47 -4.69 1.69 5.03 -1.26 -4.97 115.26 107.76 1ckd n ASN 118 Ca 0.11 0.38 -0.25 0.00 0.87 0.00 0.00 54.58 55.69 1ckd n ASN 118 Cb 0.32 -4.68 -0.08 0.00 -1.02 0.00 0.00 39.78 34.33 1ckd n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ckd s ARG 119 N -3.98 2.16 -0.61 3.52 0.52 -0.98 -5.06 118.95 114.52 1ckd s ARG 119 Ca 0.00 -1.82 -0.25 0.00 -0.52 0.00 0.00 55.73 53.14 1ckd s ARG 119 Cb 0.00 -1.94 0.04 0.00 0.52 0.00 0.00 34.95 33.58 1ckd s ARG 119 CO 0.00 -0.01 1.04 0.34 0.02 0.00 0.00 175.30 176.69 1ckd s ASP 120 N -3.82 6.29 0.00 0.23 -1.08 -1.26 -4.86 116.67 112.17 1ckd s ASP 120 Ca 0.38 -0.44 0.22 0.00 -0.52 0.00 0.00 52.55 52.20 1ckd s ASP 120 Cb 0.03 -2.47 0.61 0.00 -1.46 0.00 0.00 42.92 39.63 1ckd s ASP 120 CO 0.21 -1.41 1.51 1.33 0.52 0.00 0.00 175.17 177.34 1ckd n VAL 121 N 6.24 0.90 0.15 1.11 0.24 -1.26 -4.48 118.33 121.23 1ckd n VAL 121 Ca 0.02 -0.93 0.09 0.00 -2.04 0.00 0.00 64.34 61.47 1ckd n VAL 121 Cb 0.47 0.54 0.59 0.00 -1.47 0.00 0.00 33.84 33.97 1ckd n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ckd h ARG 122 N 4.22 0.15 -0.75 7.34 3.08 -1.92 -2.60 114.38 123.89 1ckd h ARG 122 Ca 0.00 -0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.20 1ckd h ARG 122 Cb 0.96 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.93 1ckd h ARG 122 CO 0.00 0.10 0.50 -0.56 -1.07 0.00 0.00 179.97 178.94 1ckd h GLN 123 N 0.15 0.34 0.00 0.04 3.07 -1.98 -1.83 115.11 114.91 1ckd h GLN 123 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1ckd h GLN 123 Cb 0.13 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.61 1ckd h GLN 123 CO -0.01 0.23 0.00 1.88 0.09 0.00 0.00 178.83 181.01 1ckd h TYR 124 N 0.35 0.00 0.00 0.06 0.05 -1.80 -3.20 116.97 112.43 1ckd h TYR 124 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 1ckd h TYR 124 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1ckd h TYR 124 CO -0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1ckd n VAL 125 N -3.07 0.00 -1.69 -2.88 0.24 -0.75 -4.85 118.33 105.33 1ckd n VAL 125 Ca -0.00 -0.49 -0.44 0.00 -2.04 0.00 0.00 64.34 61.37 1ckd n VAL 125 Cb 0.24 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.59 1ckd n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ckd n GLN 126 N -0.42 2.54 -0.96 7.34 1.13 -0.85 -2.05 117.38 124.10 1ckd n GLN 126 Ca 0.00 0.92 0.00 0.00 -1.94 0.00 0.00 57.00 55.98 1ckd n GLN 126 Cb 0.00 -2.75 0.00 0.00 0.11 0.00 0.00 30.24 27.60 1ckd n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ckd n GLY 127 N 3.89 0.69 0.00 1.08 0.00 -1.26 -4.91 105.19 104.68 1ckd n GLY 127 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1ckd n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckd n GLY 129 N 1.50 0.34 0.31 0.00 0.00 -1.26 -4.83 105.19 101.24 1ckd n GLY 129 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.26 1ckd n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65