#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckk n ASP 2 N 0.00 2.93 -4.90 0.00 2.03 -1.26 -4.99 116.55 110.36 1ckk n ASP 2 Ca 0.00 -1.99 -0.32 0.00 0.52 0.00 0.00 54.79 53.00 1ckk n ASP 2 Cb 0.00 -0.23 -0.04 0.00 -0.72 0.00 0.00 41.12 40.12 1ckk n ASP 2 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1ckk s GLN 3 N -1.00 3.55 -0.01 -0.67 0.74 -1.26 -4.82 119.66 116.19 1ckk s GLN 3 Ca 0.24 -0.22 -0.02 0.00 0.05 0.00 0.00 55.36 55.41 1ckk s GLN 3 Cb 0.12 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 31.30 1ckk s GLN 3 CO 0.16 0.53 0.03 1.28 -0.55 0.00 0.00 175.29 176.74 1ckk n LEU 4 N 0.23 -5.31 -0.67 3.68 4.77 -1.26 -4.90 117.00 113.53 1ckk n LEU 4 Ca -0.04 2.40 0.09 0.00 -0.03 0.00 0.00 56.01 58.44 1ckk n LEU 4 Cb 0.52 -2.89 0.06 0.00 -2.33 0.00 0.00 43.42 38.77 1ckk n LEU 4 CO 0.49 -2.84 0.48 1.07 -1.33 0.00 0.00 177.39 175.27 1ckk n THR 5 N 1.89 0.00 0.99 -5.08 5.66 -1.26 -4.29 114.28 112.19 1ckk n THR 5 Ca -0.05 -0.45 0.10 0.00 -3.05 0.00 0.00 64.05 60.59 1ckk n THR 5 Cb 0.08 1.35 -0.12 0.00 -1.55 0.00 0.00 70.33 70.10 1ckk n THR 5 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ckk n GLU 6 N 0.78 0.10 0.03 1.09 0.00 -1.26 -4.31 120.64 117.06 1ckk n GLU 6 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 57.16 57.22 1ckk n GLU 6 Cb 0.45 -1.49 -0.01 0.00 0.00 0.00 0.00 31.44 30.39 1ckk n GLU 6 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1ckk h GLU 7 N 0.07 -0.07 -0.48 5.31 4.81 -1.93 -0.29 114.58 122.00 1ckk h GLU 7 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1ckk h GLU 7 Cb 0.50 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 1ckk h GLU 7 CO 0.00 -0.05 -0.16 0.37 -0.73 0.00 0.00 179.01 178.44 1ckk h GLN 8 N -0.11 -0.05 -0.59 1.92 4.15 -1.84 0.42 115.11 119.01 1ckk h GLN 8 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ckk h GLN 8 Cb 0.05 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1ckk h GLN 8 CO 0.01 -0.04 0.38 0.82 -1.93 0.00 0.00 178.83 178.08 1ckk h ILE 9 N -0.05 1.15 0.26 2.39 2.04 -1.75 -2.73 117.51 118.82 1ckk h ILE 9 Ca 0.23 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1ckk h ILE 9 Cb 0.41 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1ckk h ILE 9 CO -0.52 0.15 -0.34 0.00 0.00 0.00 0.00 178.15 177.44 1ckk h ALA 10 N 1.62 -0.68 -0.40 1.87 0.00 0.94 0.39 119.26 123.00 1ckk h ALA 10 Ca 0.21 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ckk h ALA 10 Cb -0.08 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1ckk h ALA 10 CO -0.04 -0.93 0.11 1.49 0.00 0.00 0.00 179.25 179.88 1ckk h GLU 11 N -0.66 0.25 -0.84 0.00 4.22 -1.28 -0.04 114.58 116.23 1ckk h GLU 11 Ca -0.00 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1ckk h GLU 11 Cb 0.63 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1ckk h GLU 11 CO -0.12 0.17 0.54 0.74 -2.18 0.00 0.00 179.01 178.16 1ckk h PHE 12 N 0.26 1.01 -0.12 0.92 -1.00 -1.15 0.40 116.94 117.25 1ckk h PHE 12 Ca 0.19 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 1ckk h PHE 12 Cb 0.20 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 1ckk h PHE 12 CO -0.17 0.59 -0.03 -0.22 -1.61 0.00 0.00 178.31 176.87 1ckk h LYS 13 N 1.06 0.17 0.19 1.51 3.64 0.92 -2.43 116.57 121.63 1ckk h LYS 13 Ca 0.33 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1ckk h LYS 13 Cb -0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1ckk h LYS 13 CO -0.11 0.22 -0.19 1.49 -2.27 0.00 0.00 179.45 178.59 1ckk h GLU 14 N 0.17 -0.40 -0.08 1.90 4.57 0.91 0.21 114.58 121.85 1ckk h GLU 14 Ca 0.04 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1ckk h GLU 14 Cb 0.17 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 1ckk h GLU 14 CO 0.01 -0.27 -0.34 0.00 -1.18 0.00 0.00 179.01 177.23 1ckk h ALA 15 N 0.34 -0.45 -0.89 2.92 0.00 -1.19 0.84 119.26 120.83 1ckk h ALA 15 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1ckk h ALA 15 Cb 0.39 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1ckk h ALA 15 CO -0.05 -0.84 0.58 0.35 0.00 0.00 0.00 179.25 179.29 1ckk h PHE 16 N -0.45 0.70 0.00 0.00 3.57 -1.23 0.42 116.94 119.96 1ckk h PHE 16 Ca 0.08 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1ckk h PHE 16 Cb 0.57 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1ckk h PHE 16 CO -0.40 0.22 -0.56 1.03 -2.23 0.00 0.00 178.31 176.37 1ckk h SER 17 N 0.56 0.00 -0.61 0.41 0.87 0.24 -3.05 113.55 111.96 1ckk h SER 17 Ca 0.46 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 61.05 1ckk h SER 17 Cb 0.93 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 1ckk h SER 17 CO -0.20 0.56 0.38 0.25 -0.53 0.00 0.00 176.83 177.29 1ckk h LEU 18 N 0.00 0.62 -0.58 2.23 6.46 0.52 -1.88 115.31 122.69 1ckk h LEU 18 Ca -0.01 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 1ckk h LEU 18 Cb 1.23 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 1ckk h LEU 18 CO 0.07 0.44 -0.45 -0.26 -0.62 0.00 0.00 178.44 177.62 1ckk h PHE 19 N 0.75 0.00 -3.21 1.25 0.04 -1.51 -3.41 116.94 110.86 1ckk h PHE 19 Ca 0.24 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.44 1ckk h PHE 19 Cb 0.01 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.06 1ckk h PHE 19 CO -0.05 0.45 0.80 -0.51 -0.60 0.00 0.00 178.31 178.40 1ckk s ASP 20 N -6.45 6.40 0.00 2.17 1.01 -0.71 -4.55 116.67 114.55 1ckk s ASP 20 Ca 0.01 -0.08 0.23 0.00 0.71 0.00 0.00 52.55 53.43 1ckk s ASP 20 Cb 0.10 -2.50 0.47 0.00 1.01 0.00 0.00 42.92 42.00 1ckk s ASP 20 CO 0.71 -1.37 1.43 0.29 0.21 0.00 0.00 175.17 176.45 1ckk n LYS 21 N 8.01 2.54 -0.02 8.23 4.76 -1.26 -4.53 118.16 135.89 1ckk n LYS 21 Ca 0.06 -2.34 -0.04 0.00 -2.87 0.00 0.00 58.31 53.12 1ckk n LYS 21 Cb 0.48 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 32.13 1ckk n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ckk n ASP 22 N 1.51 0.49 0.00 4.39 5.68 -1.26 -5.07 116.55 122.29 1ckk n ASP 22 Ca 0.20 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 1ckk n ASP 22 Cb 0.61 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1ckk n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 23 N 2.78 1.01 0.00 6.12 0.00 -1.26 -5.03 105.19 108.81 1ckk n GLY 23 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ckk n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 24 N 0.00 1.95 0.00 1.61 5.68 -1.26 -4.98 116.55 119.54 1ckk n ASP 24 Ca 0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1ckk n ASP 24 Cb 0.00 1.26 0.00 0.00 -1.14 0.00 0.00 41.12 41.24 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 25 N 1.68 0.86 3.09 6.12 0.00 -1.26 -5.02 105.19 110.67 1ckk n GLY 25 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ckk n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 26 N -2.98 2.42 -0.10 2.61 -4.23 -1.25 -4.02 115.64 108.08 1ckk s THR 26 Ca 0.00 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 1ckk s THR 26 Cb 0.00 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 1ckk s THR 26 CO 0.00 -0.11 1.11 -0.63 -0.54 0.00 0.00 174.62 174.44 1ckk s ILE 27 N 1.12 4.52 0.57 2.99 1.01 -0.97 -4.77 121.20 125.69 1ckk s ILE 27 Ca -0.06 1.82 0.06 0.00 0.00 0.00 0.00 60.65 62.47 1ckk s ILE 27 Cb -0.20 -4.17 0.10 0.00 0.01 0.00 0.00 42.46 38.20 1ckk s ILE 27 CO -0.04 -0.02 0.79 0.35 0.00 0.00 0.00 174.94 176.01 1ckk n THR 28 N 4.70 0.00 0.07 2.92 -2.24 -1.26 -2.44 114.28 116.03 1ckk n THR 28 Ca 0.10 -1.64 -0.08 0.00 -2.27 0.00 0.00 64.05 60.16 1ckk n THR 28 Cb 0.47 -0.69 0.05 0.00 -2.10 0.00 0.00 70.33 68.06 1ckk n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ckk h THR 29 N -0.15 1.41 -0.39 4.28 1.35 -1.95 -3.06 112.91 114.41 1ckk h THR 29 Ca -0.26 -2.20 -0.06 0.00 -0.55 0.00 0.00 66.41 63.34 1ckk h THR 29 Cb 1.12 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 1ckk h THR 29 CO 0.34 0.65 0.01 0.11 -0.25 0.00 0.00 175.52 176.38 1ckk h LYS 30 N 0.21 0.67 1.00 4.72 1.57 -1.98 -0.10 116.57 122.66 1ckk h LYS 30 Ca -0.03 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1ckk h LYS 30 Cb 1.29 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.55 1ckk h LYS 30 CO 0.12 0.77 -0.48 0.93 -0.57 0.00 0.00 179.45 180.22 1ckk h GLU 31 N 0.50 -1.29 -0.34 3.15 5.08 -1.88 -1.69 114.58 118.11 1ckk h GLU 31 Ca 0.11 0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1ckk h GLU 31 Cb 0.46 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1ckk h GLU 31 CO 0.02 -0.86 0.23 1.25 -1.00 0.00 0.00 179.01 178.65 1ckk h LEU 32 N -1.34 0.26 -1.33 1.33 5.85 -1.58 -0.69 115.31 117.81 1ckk h LEU 32 Ca -0.14 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1ckk h LEU 32 Cb 1.02 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1ckk h LEU 32 CO 0.22 0.18 -0.05 1.23 -0.34 0.00 0.00 178.44 179.69 1ckk h GLY 33 N 0.30 0.41 0.56 3.75 0.00 -0.66 -1.51 103.07 105.93 1ckk h GLY 33 Ca 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1ckk h GLY 33 CO -0.03 0.23 -0.13 -0.84 0.00 0.00 0.00 176.54 175.77 1ckk h THR 34 N 0.37 1.43 0.52 4.70 2.02 -0.20 -2.26 112.91 119.51 1ckk h THR 34 Ca 0.08 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.75 1ckk h THR 34 Cb 0.33 2.29 0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1ckk h THR 34 CO 0.01 0.41 -0.25 0.58 0.37 0.00 0.00 175.52 176.64 1ckk h VAL 35 N -0.34 0.47 -0.81 3.16 2.07 -1.31 -2.27 116.25 117.22 1ckk h VAL 35 Ca -0.00 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1ckk h VAL 35 Cb 0.73 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1ckk h VAL 35 CO 0.03 0.02 0.53 0.24 0.02 0.00 0.00 177.57 178.41 1ckk h MET 36 N -0.78 0.66 -0.23 1.57 2.86 -1.39 0.02 114.93 117.65 1ckk h MET 36 Ca -0.07 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1ckk h MET 36 Cb 0.57 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1ckk h MET 36 CO 0.12 0.44 -0.07 0.00 1.06 0.00 0.00 176.91 178.45 1ckk h ARG 37 N 0.68 0.36 -0.32 1.72 2.47 -1.10 -2.90 114.38 115.29 1ckk h ARG 37 Ca 0.38 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.97 1ckk h ARG 37 Cb 0.56 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1ckk h ARG 37 CO -0.15 0.45 -0.02 0.77 0.56 0.00 0.00 179.97 181.57 1ckk h SER 38 N 0.34 0.57 -1.05 7.04 0.02 -0.41 -2.89 113.55 117.17 1ckk h SER 38 Ca 0.07 -0.32 0.28 0.00 -0.84 0.00 0.00 61.79 60.98 1ckk h SER 38 Cb 0.35 -0.15 -0.11 0.00 0.14 0.00 0.00 62.40 62.62 1ckk h SER 38 CO 0.02 0.76 0.65 -0.07 -1.14 0.00 0.00 176.83 177.04 1ckk h LEU 39 N 0.37 0.52 0.00 5.07 3.38 -1.35 -3.45 115.31 119.85 1ckk h LEU 39 Ca 0.09 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ckk h LEU 39 Cb 0.48 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ckk h LEU 39 CO 0.02 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1ckk n GLY 40 N -1.40 1.12 0.00 0.83 0.00 -1.09 -5.02 105.19 99.62 1ckk n GLY 40 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1ckk n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ckk n GLN 41 N -1.73 0.74 -2.74 1.61 1.13 -1.26 -5.05 117.38 110.08 1ckk n GLN 41 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1ckk n GLN 41 Cb 0.00 0.00 0.09 0.00 0.11 0.00 0.00 30.24 30.44 1ckk n GLN 41 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1ckk n ASN 42 N 0.00 -2.12 -4.54 1.08 0.23 -1.26 -5.05 115.26 103.59 1ckk n ASN 42 Ca 0.00 -3.47 -0.43 0.00 -0.53 0.00 0.00 54.58 50.15 1ckk n ASN 42 Cb 0.00 1.67 -0.01 0.00 -2.08 0.00 0.00 39.78 39.36 1ckk n ASN 42 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ckk s PRO 43 N 0.12 3.89 1.03 -0.53 0.04 -1.26 -5.00 135.00 133.29 1ckk s PRO 43 Ca 0.23 -1.91 -0.15 0.00 0.04 0.00 0.00 61.00 59.21 1ckk s PRO 43 Cb 0.31 -5.35 0.15 0.00 0.04 0.00 0.00 34.50 29.66 1ckk s PRO 43 CO -0.06 -2.10 0.21 2.41 0.04 0.00 0.00 177.00 177.50 1ckk n THR 44 N 6.05 0.00 0.23 1.26 -1.04 -1.26 -4.61 114.28 114.92 1ckk n THR 44 Ca 0.41 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.05 62.23 1ckk n THR 44 Cb 0.47 -0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 68.43 1ckk n THR 44 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ckk h GLU 45 N -2.54 -0.62 -1.22 -2.82 4.39 -2.00 -2.40 114.58 107.37 1ckk h GLU 45 Ca -0.30 0.04 0.38 0.00 0.34 0.00 0.00 59.36 59.82 1ckk h GLU 45 Cb 0.90 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.57 1ckk h GLU 45 CO 0.20 -0.39 0.78 0.00 -1.16 0.00 0.00 179.01 178.44 1ckk h ALA 46 N -1.11 2.55 -0.29 3.43 0.00 -2.01 0.94 119.26 122.79 1ckk h ALA 46 Ca -0.07 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1ckk h ALA 46 Cb 0.52 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ckk h ALA 46 CO 0.11 -1.12 -0.49 0.93 0.00 0.00 0.00 179.25 178.68 1ckk h GLU 47 N 0.18 0.80 0.17 0.00 4.39 -1.87 -2.31 114.58 115.94 1ckk h GLU 47 Ca 0.75 -0.47 0.01 0.00 0.34 0.00 0.00 59.36 59.99 1ckk h GLU 47 Cb 2.22 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.89 1ckk h GLU 47 CO -0.39 1.10 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.22 1ckk h LEU 48 N 0.63 -0.75 -0.96 1.33 3.38 0.14 0.47 115.31 119.54 1ckk h LEU 48 Ca 0.03 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ckk h LEU 48 Cb 1.07 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 1ckk h LEU 48 CO 0.11 -0.37 0.63 -0.61 0.09 0.00 0.00 178.44 178.29 1ckk h GLN 49 N -0.51 1.27 -0.48 1.13 5.75 -1.49 -1.22 115.11 119.56 1ckk h GLN 49 Ca 0.02 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 1ckk h GLN 49 Cb 0.51 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1ckk h GLN 49 CO -0.12 0.85 0.08 -0.44 -2.65 0.00 0.00 178.83 176.54 1ckk h ASP 50 N 1.31 0.70 -0.17 -0.69 5.19 -0.77 -1.09 116.42 120.89 1ckk h ASP 50 Ca 0.35 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1ckk h ASP 50 Cb -0.14 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 1ckk h ASP 50 CO -0.08 0.72 -0.02 -0.03 -3.12 0.00 0.00 179.24 176.71 1ckk h MET 51 N 0.72 0.32 -0.03 3.56 4.05 0.94 -2.50 114.93 121.98 1ckk h MET 51 Ca 0.15 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 1ckk h MET 51 Cb 0.32 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1ckk h MET 51 CO 0.00 0.57 -0.16 0.82 0.23 0.00 0.00 176.91 178.37 1ckk h ILE 52 N 0.04 1.13 0.00 1.77 5.03 -1.03 -0.58 117.51 123.88 1ckk h ILE 52 Ca 0.05 -0.62 0.00 0.00 -0.12 0.00 0.00 64.86 64.16 1ckk h ILE 52 Cb 0.44 1.29 0.00 0.00 -3.03 0.00 0.00 36.82 35.52 1ckk h ILE 52 CO 0.01 0.18 0.00 0.78 -0.68 0.00 0.00 178.15 178.44 1ckk h ASN 53 N 0.05 0.00 0.27 1.72 2.35 -0.90 -2.17 115.58 116.89 1ckk h ASN 53 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1ckk h ASN 53 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ckk h ASN 53 CO 0.02 0.00 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.34 1ckk h GLU 54 N 0.00 -0.34 0.00 0.81 3.07 -0.66 -3.30 114.58 114.16 1ckk h GLU 54 Ca 0.00 0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 1ckk h GLU 54 Cb 0.52 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1ckk h GLU 54 CO 0.00 -0.05 -0.56 0.28 -1.40 0.00 0.00 179.01 177.28 1ckk h VAL 55 N -0.99 1.38 -0.13 3.13 2.07 -1.60 -3.41 116.25 116.70 1ckk h VAL 55 Ca -0.04 -1.92 -0.17 0.00 0.82 0.00 0.00 66.70 65.39 1ckk h VAL 55 Cb 0.45 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 1ckk h VAL 55 CO 0.06 0.55 1.06 -0.67 0.02 0.00 0.00 177.57 178.59 1ckk n ASP 56 N -3.85 -0.13 0.20 0.57 2.03 -0.82 -4.68 116.55 109.87 1ckk n ASP 56 Ca -0.01 -1.10 0.06 0.00 0.52 0.00 0.00 54.79 54.25 1ckk n ASP 56 Cb 0.57 -1.04 0.41 0.00 -0.72 0.00 0.00 41.12 40.35 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckk h ALA 57 N 11.50 1.19 0.04 -1.67 0.00 -1.88 -3.26 119.26 125.18 1ckk h ALA 57 Ca 0.02 -0.30 -0.38 0.00 0.00 0.00 0.00 54.91 54.25 1ckk h ALA 57 Cb 1.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1ckk h ALA 57 CO 1.30 0.42 -2.23 -0.40 0.00 0.00 0.00 179.25 178.34 1ckk n ASP 58 N -3.76 2.02 0.00 0.00 5.75 -1.26 -5.03 116.55 114.26 1ckk n ASP 58 Ca -0.01 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1ckk n ASP 58 Cb 0.42 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1ckk n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 59 N 1.99 0.65 0.13 6.12 0.00 -1.23 -5.05 105.19 107.80 1ckk n GLY 59 Ca -0.41 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 1ckk n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 60 N 0.00 1.98 0.00 1.61 6.94 -1.26 -5.02 115.26 119.51 1ckk n ASN 60 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1ckk n ASN 60 Cb 0.00 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 36.79 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ckk n GLY 61 N 1.84 0.45 3.19 4.83 0.00 -1.26 -5.13 105.19 109.10 1ckk n GLY 61 Ca -0.47 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1ckk n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 62 N -1.24 0.11 0.41 2.61 -4.23 -1.26 -4.70 115.64 107.33 1ckk s THR 62 Ca 0.00 -0.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1ckk s THR 62 Cb 0.00 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1ckk s THR 62 CO 0.00 -0.48 0.58 -0.63 -0.54 0.00 0.00 174.62 173.55 1ckk s ILE 63 N -2.61 3.74 0.23 2.99 -1.09 -1.02 -4.81 121.20 118.63 1ckk s ILE 63 Ca -0.05 -0.80 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 1ckk s ILE 63 Cb -0.01 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1ckk s ILE 63 CO -0.04 -0.17 0.37 -0.62 -1.23 0.00 0.00 174.94 173.25 1ckk s ASP 64 N -4.24 -0.02 0.23 3.58 -1.08 -1.26 -2.28 116.67 111.61 1ckk s ASP 64 Ca 0.49 -1.07 -0.07 0.00 -0.52 0.00 0.00 52.55 51.37 1ckk s ASP 64 Cb -0.10 0.52 0.24 0.00 -1.46 0.00 0.00 42.92 42.12 1ckk s ASP 64 CO 0.34 -1.04 1.90 0.15 0.52 0.00 0.00 175.17 177.03 1ckk h PHE 65 N 2.37 1.10 0.00 -5.34 3.57 -1.98 -1.53 116.94 115.12 1ckk h PHE 65 Ca -0.29 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 1ckk h PHE 65 Cb 1.25 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1ckk h PHE 65 CO 0.38 0.66 -0.17 -1.00 -2.23 0.00 0.00 178.31 175.96 1ckk h PRO 66 N 1.16 0.00 0.15 6.41 0.13 -1.96 -2.76 132.00 135.13 1ckk h PRO 66 Ca 0.34 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.17 1ckk h PRO 66 Cb -0.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.06 1ckk h PRO 66 CO -0.09 0.17 -1.40 0.93 -0.23 0.00 0.00 178.00 177.38 1ckk h GLU 67 N 0.00 0.32 -0.63 0.86 5.08 -1.75 -2.53 114.58 115.93 1ckk h GLU 67 Ca -0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 1ckk h GLU 67 Cb 0.57 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1ckk h GLU 67 CO 0.02 1.23 0.32 0.35 -1.00 0.00 0.00 179.01 179.93 1ckk h PHE 68 N 0.09 0.88 0.02 4.33 3.04 -1.04 -1.17 116.94 123.09 1ckk h PHE 68 Ca -0.20 -0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.50 1ckk h PHE 68 Cb 2.03 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 40.26 1ckk h PHE 68 CO 0.08 0.65 -0.97 -0.07 -2.02 0.00 0.00 178.31 175.98 1ckk h LEU 69 N 0.85 0.42 -0.20 0.59 4.07 -1.60 -2.61 115.31 116.84 1ckk h LEU 69 Ca 0.22 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1ckk h LEU 69 Cb 0.08 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1ckk h LEU 69 CO -0.03 1.17 0.00 0.41 -1.08 0.00 0.00 178.44 178.91 1ckk n THR 70 N -3.68 0.63 -0.12 0.22 -1.04 -0.95 -3.58 114.28 105.76 1ckk n THR 70 Ca -0.06 0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1ckk n THR 70 Cb 0.86 -0.84 -0.12 0.00 -1.82 0.00 0.00 70.33 68.41 1ckk n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1ckk n MET 71 N -1.89 0.64 0.03 -2.82 0.00 -0.46 -4.25 117.12 108.37 1ckk n MET 71 Ca 0.04 0.22 0.03 0.00 -0.00 0.00 0.00 57.70 57.99 1ckk n MET 71 Cb 0.29 -1.54 0.13 0.00 0.00 0.00 0.00 33.22 32.09 1ckk n MET 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1ckk n MET 72 N -3.65 0.03 0.08 2.12 0.00 -0.99 -1.22 117.12 113.48 1ckk n MET 72 Ca -0.47 0.51 0.12 0.00 0.00 0.00 0.00 57.70 57.85 1ckk n MET 72 Cb 0.95 -1.58 0.07 0.00 0.00 0.00 0.00 33.22 32.65 1ckk n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ckk n ALA 73 N -1.55 2.81 0.19 -5.12 0.00 -1.23 -3.39 120.51 112.21 1ckk n ALA 73 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1ckk n ALA 73 Cb 0.02 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 1ckk n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ckk n ARG 74 N -2.35 0.54 -0.02 0.00 0.63 -0.36 -4.31 116.66 110.79 1ckk n ARG 74 Ca 0.02 -0.09 -0.06 0.00 -0.92 0.00 0.00 57.85 56.80 1ckk n ARG 74 Cb 0.49 -1.59 -0.13 0.00 0.45 0.00 0.00 32.46 31.68 1ckk n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ckk n LYS 75 N -2.24 0.64 -2.56 -0.14 4.76 -1.16 -4.39 118.16 113.07 1ckk n LYS 75 Ca -0.02 0.20 -0.41 0.00 -2.87 0.00 0.00 58.31 55.21 1ckk n LYS 75 Cb 0.53 -1.74 0.01 0.00 -1.84 0.00 0.00 35.03 31.99 1ckk n LYS 75 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1ckk n MET 76 N -2.92 5.16 -0.03 1.97 1.56 -1.22 -4.59 117.12 117.06 1ckk n MET 76 Ca -0.17 -4.42 -0.08 0.00 -0.27 0.00 0.00 57.70 52.76 1ckk n MET 76 Cb 0.99 -2.51 -0.03 0.00 2.15 0.00 0.00 33.22 33.82 1ckk n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1ckk n LYS 77 N 0.49 0.26 0.00 2.12 3.00 -1.26 -4.97 118.16 117.80 1ckk n LYS 77 Ca 0.47 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 1ckk n LYS 77 Cb 0.27 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.35 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ckk n ASP 78 N -3.83 0.00 0.00 3.14 -0.08 -1.26 -5.05 116.55 109.47 1ckk n ASP 78 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1ckk n ASP 78 Cb 0.39 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.85 1ckk n ASP 78 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1ckk n THR 79 N 0.00 0.00 -2.45 5.18 -1.04 -1.26 -3.98 114.28 110.73 1ckk n THR 79 Ca 0.00 0.93 -0.41 0.00 -2.04 0.00 0.00 64.05 62.53 1ckk n THR 79 Cb 0.00 -1.66 -0.03 0.00 -1.82 0.00 0.00 70.33 66.83 1ckk n THR 79 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1ckk s ASP 80 N -2.55 6.01 0.00 8.00 -4.77 -1.26 -4.68 116.67 117.42 1ckk s ASP 80 Ca 0.00 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.02 1ckk s ASP 80 Cb 0.00 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1ckk s ASP 80 CO 0.00 -1.91 0.00 -1.54 0.70 0.00 0.00 175.17 172.42 1ckk n SER 81 N 9.97 4.28 -0.02 2.11 3.41 -1.26 -4.64 113.62 127.48 1ckk n SER 81 Ca 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.76 1ckk n SER 81 Cb 0.50 0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 64.61 1ckk n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ckk n GLU 82 N -2.03 0.66 0.04 4.33 2.13 -1.26 -4.03 120.64 120.48 1ckk n GLU 82 Ca 0.00 -0.14 -0.10 0.00 0.66 0.00 0.00 57.16 57.58 1ckk n GLU 82 Cb 0.45 -1.55 0.03 0.00 0.27 0.00 0.00 31.44 30.65 1ckk n GLU 82 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ckk h GLU 83 N 0.00 0.46 -0.28 5.31 4.81 -1.92 -2.20 114.58 120.76 1ckk h GLU 83 Ca -0.08 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 58.66 1ckk h GLU 83 Cb 1.20 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1ckk h GLU 83 CO 0.01 0.97 -0.35 1.49 -0.73 0.00 0.00 179.01 180.40 1ckk h GLU 84 N 0.33 0.74 0.00 1.92 4.81 -1.82 -2.87 114.58 117.68 1ckk h GLU 84 Ca -0.02 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 1ckk h GLU 84 Cb 1.24 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1ckk h GLU 84 CO 0.12 1.03 -0.29 0.82 -0.73 0.00 0.00 179.01 179.96 1ckk h ILE 85 N 0.48 0.89 -0.02 2.32 2.04 -1.69 -2.75 117.51 118.78 1ckk h ILE 85 Ca 0.04 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1ckk h ILE 85 Cb 0.93 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1ckk h ILE 85 CO 0.08 0.29 -0.00 -0.09 0.00 0.00 0.00 178.15 178.43 1ckk h ARG 86 N 0.00 0.03 -0.14 2.37 2.43 -1.21 -1.82 114.38 116.04 1ckk h ARG 86 Ca -0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ckk h ARG 86 Cb 0.66 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1ckk h ARG 86 CO 0.04 0.37 0.07 0.93 -1.51 0.00 0.00 179.97 179.87 1ckk h GLU 87 N -0.31 0.15 -0.49 0.20 5.08 -1.39 -1.16 114.58 116.67 1ckk h GLU 87 Ca 0.00 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1ckk h GLU 87 Cb 0.35 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1ckk h GLU 87 CO 0.00 0.10 0.34 0.00 -1.00 0.00 0.00 179.01 178.45 1ckk h ALA 88 N 1.07 2.22 0.38 3.43 0.00 -1.46 -2.45 119.26 122.44 1ckk h ALA 88 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ckk h ALA 88 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ckk h ALA 88 CO -0.03 -0.35 -0.18 0.35 0.00 0.00 0.00 179.25 179.04 1ckk h PHE 89 N 0.18 -0.47 -1.63 0.00 3.04 -0.34 -2.89 116.94 114.83 1ckk h PHE 89 Ca 0.23 -0.01 0.50 0.00 3.98 0.00 0.00 57.97 62.67 1ckk h PHE 89 Cb 0.68 0.15 -0.10 0.00 2.56 0.00 0.00 35.95 39.24 1ckk h PHE 89 CO -0.00 -0.29 1.12 0.00 -2.02 0.00 0.00 178.31 177.12 1ckk h ARG 90 N -0.75 0.02 -0.20 1.11 2.47 -1.06 1.12 114.38 117.09 1ckk h ARG 90 Ca -0.05 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1ckk h ARG 90 Cb 0.39 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1ckk h ARG 90 CO 0.08 0.02 0.02 0.28 0.56 0.00 0.00 179.97 180.93 1ckk h VAL 91 N 0.03 1.23 0.00 2.04 2.07 -1.30 -2.36 116.25 117.96 1ckk h VAL 91 Ca 0.87 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1ckk h VAL 91 Cb 3.16 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 34.29 1ckk h VAL 91 CO -0.21 0.24 0.00 -0.26 0.02 0.00 0.00 177.57 177.36 1ckk h PHE 92 N 0.12 0.00 -1.95 1.57 0.04 0.15 -3.25 116.94 113.61 1ckk h PHE 92 Ca 0.06 0.00 -0.79 0.00 2.80 0.00 0.00 57.97 60.04 1ckk h PHE 92 Cb 0.34 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 38.26 1ckk h PHE 92 CO 0.02 0.00 1.45 -3.47 -0.60 0.00 0.00 178.31 175.71 1ckk n ASP 93 N -2.84 7.48 -0.28 2.17 2.03 -0.54 -4.59 116.55 119.98 1ckk n ASP 93 Ca 0.01 -3.51 -0.11 0.00 0.52 0.00 0.00 54.79 51.70 1ckk n ASP 93 Cb 0.26 -1.24 -0.09 0.00 -0.72 0.00 0.00 41.12 39.33 1ckk n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ckk h LYS 94 N 4.41 -0.12 -0.42 -0.67 1.79 -1.69 1.09 116.57 120.96 1ckk h LYS 94 Ca 0.57 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 59.17 1ckk h LYS 94 Cb 0.33 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1ckk h LYS 94 CO 1.28 -0.08 0.33 0.38 -1.08 0.00 0.00 179.45 180.28 1ckk h ASP 95 N -0.12 0.00 -2.45 0.86 3.04 -1.92 -3.46 116.42 112.36 1ckk h ASP 95 Ca 0.11 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.80 1ckk h ASP 95 Cb 0.42 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.74 1ckk h ASP 95 CO -0.72 0.00 -0.18 0.61 -2.04 0.00 0.00 179.24 176.91 1ckk n GLY 96 N -1.59 0.47 0.14 7.15 0.00 0.38 -4.98 105.19 106.77 1ckk n GLY 96 Ca 0.07 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1ckk n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 97 N -0.21 1.95 0.00 1.61 0.23 -1.26 -5.04 115.26 112.54 1ckk n ASN 97 Ca -0.02 0.29 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 1ckk n ASN 97 Cb 0.52 -0.77 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 1ckk n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ckk n GLY 98 N 1.37 2.02 3.92 4.83 0.00 -1.26 -5.13 105.19 110.93 1ckk n GLY 98 Ca -0.54 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 1ckk n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckk s TYR 99 N 0.00 3.48 -0.11 1.61 2.02 -1.26 -3.96 117.35 119.13 1ckk s TYR 99 Ca 0.00 0.44 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 1ckk s TYR 99 Cb 0.00 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 1ckk s TYR 99 CO 0.00 0.34 -0.21 0.42 -1.57 0.00 0.00 175.55 174.53 1ckk s ILE 100 N -1.89 1.92 0.33 2.71 1.01 0.35 -4.85 121.20 120.77 1ckk s ILE 100 Ca 0.40 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 60.21 1ckk s ILE 100 Cb -0.11 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1ckk s ILE 100 CO 0.29 0.53 0.13 -0.94 0.00 0.00 0.00 174.94 174.94 1ckk s SER 101 N 0.62 4.73 0.43 3.58 1.04 -1.26 -2.31 113.70 120.53 1ckk s SER 101 Ca -0.13 -0.72 0.14 0.00 0.48 0.00 0.00 55.95 55.73 1ckk s SER 101 Cb -0.17 -0.79 1.04 0.00 0.10 0.00 0.00 66.02 66.21 1ckk s SER 101 CO 0.03 -0.25 1.97 0.00 0.98 0.00 0.00 173.24 175.97 1ckk h ALA 102 N 1.58 2.04 -0.35 5.32 0.00 -1.88 -1.49 119.26 124.47 1ckk h ALA 102 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ckk h ALA 102 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ckk h ALA 102 CO 0.62 -0.19 0.23 0.00 0.00 0.00 0.00 179.25 179.92 1ckk h ALA 103 N 1.69 0.45 -0.05 0.00 0.00 -1.96 -0.86 119.26 118.53 1ckk h ALA 103 Ca 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ckk h ALA 103 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ckk h ALA 103 CO -0.08 -0.10 -0.02 0.93 0.00 0.00 0.00 179.25 179.98 1ckk h GLU 104 N 0.47 -0.01 -0.79 0.00 5.08 -1.58 -0.45 114.58 117.30 1ckk h GLU 104 Ca 0.13 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1ckk h GLU 104 Cb -0.05 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 1ckk h GLU 104 CO -0.03 -0.00 0.45 -0.07 -1.00 0.00 0.00 179.01 178.36 1ckk h LEU 105 N -0.01 0.65 -1.66 1.33 -0.00 -1.25 0.41 115.31 114.79 1ckk h LEU 105 Ca 0.03 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1ckk h LEU 105 Cb 0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1ckk h LEU 105 CO -0.06 0.39 0.00 -0.09 -0.00 0.00 0.00 178.44 178.68 1ckk h ARG 106 N 0.78 0.00 0.00 1.13 2.43 -0.48 -0.97 114.38 117.27 1ckk h ARG 106 Ca 0.37 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.31 1ckk h ARG 106 Cb 0.31 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1ckk h ARG 106 CO -0.23 0.00 -1.18 0.45 -1.51 0.00 0.00 179.97 177.50 1ckk h HIS 107 N 0.00 0.01 0.17 2.20 3.86 0.14 -3.34 115.15 118.20 1ckk h HIS 107 Ca 0.00 -0.01 -0.31 0.00 -1.16 0.00 0.00 60.37 58.89 1ckk h HIS 107 Cb 0.34 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.82 1ckk h HIS 107 CO 0.00 1.01 -1.49 0.28 0.86 0.00 0.00 177.93 178.59 1ckk h VAL 108 N 0.00 1.10 0.00 2.45 2.07 -0.63 -3.24 116.25 118.00 1ckk h VAL 108 Ca -0.08 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 64.92 1ckk h VAL 108 Cb 1.84 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 34.46 1ckk h VAL 108 CO 0.12 0.79 0.00 0.23 0.02 0.00 0.00 177.57 178.73 1ckk n MET 109 N -3.78 0.00 -0.24 1.57 2.00 -0.43 -0.16 117.12 116.08 1ckk n MET 109 Ca -0.22 0.85 0.04 0.00 0.00 0.00 0.00 57.70 58.37 1ckk n MET 109 Cb 1.00 -1.46 0.16 0.00 0.00 0.00 0.00 33.22 32.92 1ckk n MET 109 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1ckk h THR 110 N 0.00 0.51 0.00 2.03 2.02 -1.52 1.46 112.91 117.42 1ckk h THR 110 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1ckk h THR 110 Cb 0.00 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1ckk h THR 110 CO 0.00 0.04 0.04 0.78 0.37 0.00 0.00 175.52 176.75 1ckk h ASN 111 N 0.23 0.00 0.00 4.18 -0.26 -1.20 -2.93 115.58 115.59 1ckk h ASN 111 Ca 0.39 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.84 1ckk h ASN 111 Cb 0.65 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.87 1ckk h ASN 111 CO -0.51 0.00 -2.01 0.18 -1.06 0.00 0.00 177.43 174.03 1ckk n LEU 112 N -2.43 1.99 0.00 1.61 4.77 0.43 -4.37 117.00 119.01 1ckk n LEU 112 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1ckk n LEU 112 Cb 0.08 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1ckk n LEU 112 CO 0.12 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1ckk n GLY 113 N 2.18 -0.49 3.92 -0.72 0.00 0.27 -4.95 105.19 105.40 1ckk n GLY 113 Ca -0.34 0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1ckk n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckk s GLU 114 N 0.00 1.72 -0.48 1.61 2.12 -1.24 -4.67 118.70 117.76 1ckk s GLU 114 Ca 0.00 -0.14 0.06 0.00 0.36 0.00 0.00 54.97 55.26 1ckk s GLU 114 Cb 0.00 -1.99 0.21 0.00 0.26 0.00 0.00 34.13 32.61 1ckk s GLU 114 CO 0.00 -1.69 0.70 0.36 -0.54 0.00 0.00 175.26 174.09 1ckk n LYS 115 N -3.30 0.59 -1.15 4.30 0.00 -1.26 -1.97 118.16 115.36 1ckk n LYS 115 Ca 0.10 -2.25 -0.40 0.00 -0.00 0.00 0.00 58.31 55.76 1ckk n LYS 115 Cb 0.61 -1.47 -0.03 0.00 -0.00 0.00 0.00 35.03 34.14 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ckk n LEU 116 N 2.31 -0.87 0.00 -5.58 4.32 -1.26 -4.89 117.00 111.03 1ckk n LEU 116 Ca 0.17 0.92 0.00 0.00 -0.02 0.00 0.00 56.01 57.08 1ckk n LEU 116 Cb 0.57 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1ckk n LEU 116 CO 0.04 -2.30 0.00 0.41 -1.22 0.00 0.00 177.39 174.31 1ckk n THR 117 N 0.18 0.00 -0.07 -5.08 -1.04 -1.26 -4.58 114.28 102.43 1ckk n THR 117 Ca 0.15 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.09 1ckk n THR 117 Cb 0.18 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.65 1ckk n THR 117 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1ckk h ASP 118 N -0.89 0.00 -0.17 8.00 3.32 -1.99 -2.80 116.42 121.88 1ckk h ASP 118 Ca 0.00 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 56.83 1ckk h ASP 118 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ckk h ASP 118 CO 0.00 0.78 0.19 1.05 -1.72 0.00 0.00 179.24 179.55 1ckk h GLU 119 N -1.00 0.00 0.08 3.56 4.11 -2.00 -0.83 114.58 118.50 1ckk h GLU 119 Ca -0.04 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.21 1ckk h GLU 119 Cb 0.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.76 1ckk h GLU 119 CO -0.03 0.00 -0.75 0.93 0.07 0.00 0.00 179.01 179.24 1ckk h GLU 120 N 0.00 0.36 -0.75 1.06 4.39 -1.90 -2.42 114.58 115.32 1ckk h GLU 120 Ca 0.08 -0.50 0.06 0.00 0.34 0.00 0.00 59.36 59.34 1ckk h GLU 120 Cb 0.47 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 1ckk h GLU 120 CO -0.00 1.19 0.49 0.28 -1.16 0.00 0.00 179.01 179.82 1ckk h VAL 121 N -0.22 1.04 0.04 3.13 2.07 -0.90 -0.18 116.25 121.23 1ckk h VAL 121 Ca -0.12 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ckk h VAL 121 Cb 1.52 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1ckk h VAL 121 CO 0.14 0.15 -0.02 -0.78 0.02 0.00 0.00 177.57 177.08 1ckk h ASP 122 N 0.81 -0.04 -0.03 0.57 1.82 -1.37 -2.77 116.42 115.41 1ckk h ASP 122 Ca 0.32 -0.58 0.01 0.00 -0.39 0.00 0.00 57.03 56.39 1ckk h ASP 122 Cb 0.22 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 1ckk h ASP 122 CO -0.11 0.58 0.06 -0.08 -1.61 0.00 0.00 179.24 178.09 1ckk h GLU 123 N -0.69 0.00 -0.00 0.28 4.57 -1.10 0.25 114.58 117.89 1ckk h GLU 123 Ca -0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1ckk h GLU 123 Cb 0.62 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1ckk h GLU 123 CO 0.01 0.00 -0.29 1.98 -1.18 0.00 0.00 179.01 179.53 1ckk h MET 124 N 0.00 0.20 0.02 1.92 4.05 -0.92 -2.62 114.93 117.57 1ckk h MET 124 Ca 0.01 -0.21 -0.22 0.00 -0.28 0.00 0.00 59.70 59.01 1ckk h MET 124 Cb 0.14 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1ckk h MET 124 CO -0.00 0.94 -0.96 0.82 0.23 0.00 0.00 176.91 177.94 1ckk h ILE 125 N -0.46 1.49 -0.34 1.77 1.08 -1.09 -3.05 117.51 116.92 1ckk h ILE 125 Ca -0.04 -2.72 -0.03 0.00 -0.39 0.00 0.00 64.86 61.69 1ckk h ILE 125 Cb 1.04 2.56 -0.01 0.00 -3.07 0.00 0.00 36.82 37.34 1ckk h ILE 125 CO 0.06 0.79 0.09 -0.09 -0.69 0.00 0.00 178.15 178.31 1ckk h ARG 126 N 0.12 0.53 0.00 2.37 2.43 -0.62 -0.61 114.38 118.60 1ckk h ARG 126 Ca -0.06 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1ckk h ARG 126 Cb 1.61 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 1ckk h ARG 126 CO 0.15 0.59 -0.00 1.49 -1.51 0.00 0.00 179.97 180.68 1ckk h GLU 127 N 0.39 0.00 0.10 0.20 4.57 -1.53 -2.84 114.58 115.47 1ckk h GLU 127 Ca 0.11 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.98 1ckk h GLU 127 Cb 0.29 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1ckk h GLU 127 CO 0.00 0.00 -1.60 0.00 -1.18 0.00 0.00 179.01 176.24 1ckk h ALA 128 N 2.00 0.37 0.00 2.92 0.00 -1.29 -3.39 119.26 119.87 1ckk h ALA 128 Ca -0.00 -1.19 -0.39 0.00 0.00 0.00 0.00 54.91 53.33 1ckk h ALA 128 Cb 0.39 0.35 0.05 0.00 0.00 0.00 0.00 17.79 18.58 1ckk h ALA 128 CO 0.00 1.24 1.81 -0.25 0.00 0.00 0.00 179.25 182.04 1ckk n ASP 129 N -3.39 2.09 -0.26 0.00 8.00 -0.29 -4.61 116.55 118.09 1ckk n ASP 129 Ca -0.18 -2.36 0.33 0.00 0.71 0.00 0.00 54.79 53.29 1ckk n ASP 129 Cb 1.04 -0.80 0.71 0.00 -0.02 0.00 0.00 41.12 42.05 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ckk h ILE 130 N 4.20 0.29 0.00 0.53 5.03 -1.81 0.73 117.51 126.48 1ckk h ILE 130 Ca 0.29 0.00 -0.23 0.00 -0.12 0.00 0.00 64.86 64.80 1ckk h ILE 130 Cb 0.36 0.35 -0.04 0.00 -3.03 0.00 0.00 36.82 34.46 1ckk h ILE 130 CO 1.59 0.00 -1.49 -2.24 -0.68 0.00 0.00 178.15 175.32 1ckk h ASP 131 N 0.00 0.00 -2.13 1.72 2.03 -1.95 -3.49 116.42 112.60 1ckk h ASP 131 Ca 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1ckk h ASP 131 Cb 2.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.79 1ckk h ASP 131 CO -0.01 0.82 0.00 0.61 -1.03 0.00 0.00 179.24 179.63 1ckk n GLY 132 N 1.46 -0.07 0.00 7.15 0.00 0.25 -5.04 105.19 108.95 1ckk n GLY 132 Ca -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ckk n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 133 N -0.60 3.17 0.00 1.61 5.75 -1.26 -5.03 116.55 120.19 1ckk n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ckk n ASP 133 Cb 0.25 0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 134 N 2.04 1.36 3.80 6.12 0.00 -1.26 -5.09 105.19 112.16 1ckk n GLY 134 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ckk n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ckk s GLN 135 N -0.04 1.72 0.26 1.61 -2.07 -1.26 -4.66 119.66 115.21 1ckk s GLN 135 Ca 0.00 -0.96 0.09 0.00 -1.82 0.00 0.00 55.36 52.68 1ckk s GLN 135 Cb 0.00 0.60 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 1ckk s GLN 135 CO 0.00 -0.78 -0.02 0.08 -1.32 0.00 0.00 175.29 173.25 1ckk s VAL 136 N -3.91 3.41 0.17 3.63 1.01 -0.98 -4.79 120.40 118.94 1ckk s VAL 136 Ca 0.11 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1ckk s VAL 136 Cb -0.05 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1ckk s VAL 136 CO 0.05 -0.34 0.01 -0.46 0.00 0.00 0.00 175.10 174.36 1ckk n ASN 137 N -0.77 2.19 0.03 3.32 6.94 -1.26 -0.50 115.26 125.20 1ckk n ASN 137 Ca -0.07 -1.78 -0.01 0.00 -0.02 0.00 0.00 54.58 52.70 1ckk n ASN 137 Cb 0.59 0.18 -0.01 0.00 -2.36 0.00 0.00 39.78 38.18 1ckk n ASN 137 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1ckk h TYR 138 N 1.12 -0.08 -0.93 -2.53 3.20 -2.00 -0.77 116.97 114.98 1ckk h TYR 138 Ca -0.14 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 61.89 1ckk h TYR 138 Cb 0.45 0.03 -0.16 0.00 1.54 0.00 0.00 36.73 38.59 1ckk h TYR 138 CO 0.00 -0.05 -0.34 0.93 -1.64 0.00 0.00 178.16 177.06 1ckk h GLU 139 N -0.08 -0.02 0.22 1.82 5.08 -1.98 -0.54 114.58 119.09 1ckk h GLU 139 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ckk h GLU 139 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1ckk h GLU 139 CO 0.01 -0.01 -0.40 0.93 -1.00 0.00 0.00 179.01 178.53 1ckk h GLU 140 N -0.02 -0.65 -1.37 2.33 5.08 -1.94 1.53 114.58 119.54 1ckk h GLU 140 Ca 0.36 0.04 0.40 0.00 -1.00 0.00 0.00 59.36 59.16 1ckk h GLU 140 Cb 0.62 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1ckk h GLU 140 CO -0.95 -0.43 1.21 0.35 -1.00 0.00 0.00 179.01 178.19 1ckk h PHE 141 N -0.67 0.00 0.05 4.33 3.57 0.42 0.71 116.94 125.35 1ckk h PHE 141 Ca -0.02 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.11 1ckk h PHE 141 Cb 0.63 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1ckk h PHE 141 CO -0.33 0.00 -2.20 0.28 -2.23 0.00 0.00 178.31 173.83 1ckk n VAL 142 N -3.63 1.60 0.44 1.41 0.31 0.40 -3.96 118.33 114.91 1ckk n VAL 142 Ca 0.30 -0.66 0.06 0.00 -0.01 0.00 0.00 64.34 64.03 1ckk n VAL 142 Cb 1.63 -1.38 0.27 0.00 -0.91 0.00 0.00 33.84 33.44 1ckk n VAL 142 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ckk n GLN 143 N -3.26 0.02 0.02 5.55 0.00 0.50 -2.06 117.38 118.15 1ckk n GLN 143 Ca -0.36 0.27 0.05 0.00 -0.00 0.00 0.00 57.00 56.97 1ckk n GLN 143 Cb 1.04 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.68 1ckk n GLN 143 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1ckk n MET 144 N -1.47 0.64 -0.01 3.69 1.56 0.15 -4.26 117.12 117.42 1ckk n MET 144 Ca 0.03 0.05 -0.01 0.00 -0.27 0.00 0.00 57.70 57.50 1ckk n MET 144 Cb 0.14 -1.70 -0.00 0.00 2.15 0.00 0.00 33.22 33.81 1ckk n MET 144 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1ckk n MET 145 N -2.64 0.07 -2.20 2.12 2.81 -0.88 -4.71 117.12 111.69 1ckk n MET 145 Ca -0.08 0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.43 1ckk n MET 145 Cb 0.73 -0.60 0.00 0.00 -0.71 0.00 0.00 33.22 32.64 1ckk n MET 145 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ckk n THR 146 N -2.75 5.31 -1.34 2.03 5.66 -0.94 -4.71 114.28 117.54 1ckk n THR 146 Ca -0.02 -4.72 -0.35 0.00 -3.05 0.00 0.00 64.05 55.91 1ckk n THR 146 Cb 0.06 -2.01 0.08 0.00 -1.55 0.00 0.00 70.33 66.91 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ckk n ALA 147 N 1.62 6.32 1.45 1.79 0.00 -1.26 -4.83 120.51 125.60 1ckk n ALA 147 Ca 0.55 -3.45 0.12 0.00 0.00 0.00 0.00 53.44 50.65 1ckk n ALA 147 Cb 0.27 -1.78 0.69 0.00 0.00 0.00 0.00 19.45 18.63 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67