#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 -8.03 -4.78 0.00 8.00 -1.26 -4.82 116.55 105.67 1ckk n ASP 2 Ca 0.00 1.47 -0.36 0.00 0.71 0.00 0.00 54.79 56.61 1ckk n ASP 2 Cb 0.00 -5.07 -0.07 0.00 -0.02 0.00 0.00 41.12 35.96 1ckk n ASP 2 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1ckk s GLN 3 N -4.30 3.96 0.46 -1.24 0.74 -1.26 -5.08 119.66 112.94 1ckk s GLN 3 Ca 0.00 -0.14 -0.20 0.00 0.05 0.00 0.00 55.36 55.07 1ckk s GLN 3 Cb 0.00 -3.34 -0.10 0.00 1.10 0.00 0.00 33.01 30.67 1ckk s GLN 3 CO 0.00 0.45 0.97 -0.51 -0.55 0.00 0.00 175.29 175.66 1ckk s LEU 4 N -0.10 3.84 -0.43 3.68 1.02 -1.26 -5.01 118.68 120.42 1ckk s LEU 4 Ca 0.12 1.69 0.10 0.00 0.02 0.00 0.00 54.13 56.06 1ckk s LEU 4 Cb -0.12 -4.53 0.38 0.00 0.02 0.00 0.00 46.19 41.94 1ckk s LEU 4 CO 0.01 -0.49 0.89 0.41 0.02 0.00 0.00 176.35 177.19 1ckk n THR 5 N -0.95 1.31 -0.06 5.49 -1.04 -1.26 -4.82 114.28 112.94 1ckk n THR 5 Ca 0.07 -4.58 -0.02 0.00 -2.04 0.00 0.00 64.05 57.48 1ckk n THR 5 Cb 0.54 -0.51 -0.16 0.00 -1.82 0.00 0.00 70.33 68.37 1ckk n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ckk n GLU 6 N -0.04 0.72 0.18 -2.82 4.71 -1.26 -4.30 120.64 117.82 1ckk n GLU 6 Ca 0.25 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.16 57.17 1ckk n GLU 6 Cb 0.62 -1.51 -0.08 0.00 -1.01 0.00 0.00 31.44 29.46 1ckk n GLU 6 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1ckk h GLU 7 N 0.00 -0.71 -0.04 3.49 4.81 -1.99 0.39 114.58 120.53 1ckk h GLU 7 Ca -0.33 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1ckk h GLU 7 Cb 1.75 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 31.24 1ckk h GLU 7 CO 0.02 -0.47 -0.21 1.96 -0.73 0.00 0.00 179.01 179.58 1ckk h GLN 8 N -0.74 -0.30 0.69 1.92 1.08 -1.97 -1.71 115.11 114.09 1ckk h GLN 8 Ca -0.00 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1ckk h GLN 8 Cb 0.71 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 1ckk h GLN 8 CO -0.16 -0.20 -0.47 0.82 -0.95 0.00 0.00 178.83 177.87 1ckk h ILE 9 N -0.31 0.07 -0.92 2.54 2.04 -1.68 -2.47 117.51 116.78 1ckk h ILE 9 Ca 0.07 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.18 1ckk h ILE 9 Cb 0.41 0.07 -0.16 0.00 -0.74 0.00 0.00 36.82 36.39 1ckk h ILE 9 CO -0.22 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.01 1ckk h ALA 10 N -0.95 1.14 0.03 1.87 0.00 -0.06 0.23 119.26 121.52 1ckk h ALA 10 Ca -0.09 0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1ckk h ALA 10 Cb 0.90 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1ckk h ALA 10 CO 0.06 -0.53 -0.29 1.49 0.00 0.00 0.00 179.25 179.98 1ckk h GLU 11 N 0.07 -0.43 -0.67 0.00 4.22 -0.86 0.17 114.58 117.08 1ckk h GLU 11 Ca 0.56 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 60.02 1ckk h GLU 11 Cb 1.13 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1ckk h GLU 11 CO -0.82 -0.29 0.39 0.74 -2.18 0.00 0.00 179.01 176.85 1ckk h PHE 12 N -0.45 0.89 -0.49 0.92 0.04 -0.36 -1.50 116.94 115.98 1ckk h PHE 12 Ca 0.06 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1ckk h PHE 12 Cb 0.52 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1ckk h PHE 12 CO -0.31 0.61 0.33 -0.22 -0.60 0.00 0.00 178.31 178.13 1ckk h LYS 13 N 0.91 0.50 -0.48 1.51 3.64 -0.12 -1.08 116.57 121.44 1ckk h LYS 13 Ca 0.24 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1ckk h LYS 13 Cb -0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1ckk h LYS 13 CO -0.04 0.33 0.25 1.49 -2.27 0.00 0.00 179.45 179.21 1ckk h GLU 14 N 0.52 0.67 0.15 1.90 4.81 0.37 0.82 114.58 123.81 1ckk h GLU 14 Ca 0.20 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1ckk h GLU 14 Cb 0.17 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ckk h GLU 14 CO -0.05 0.54 -0.07 0.00 -0.73 0.00 0.00 179.01 178.70 1ckk h ALA 15 N 1.10 -0.20 0.00 2.92 0.00 -0.99 -1.15 119.26 120.94 1ckk h ALA 15 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ckk h ALA 15 Cb 0.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ckk h ALA 15 CO -0.03 -0.45 0.00 0.34 0.00 0.00 0.00 179.25 179.12 1ckk n PHE 16 N -5.03 0.36 0.00 0.00 7.35 -0.52 -1.33 117.46 118.29 1ckk n PHE 16 Ca -0.09 0.17 -0.01 0.00 -0.76 0.00 0.00 57.45 56.76 1ckk n PHE 16 Cb 0.22 -0.77 -0.11 0.00 0.35 0.00 0.00 39.48 39.17 1ckk n PHE 16 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ckk n SER 17 N -1.85 0.63 0.08 -2.13 7.64 0.27 -3.43 113.62 114.84 1ckk n SER 17 Ca 0.01 0.28 -0.06 0.00 1.01 0.00 0.00 58.87 60.11 1ckk n SER 17 Cb 0.08 0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 63.73 1ckk n SER 17 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ckk h LEU 18 N 0.00 0.03 0.00 -3.43 6.46 0.04 -3.36 115.31 115.05 1ckk h LEU 18 Ca -0.21 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1ckk h LEU 18 Cb 1.65 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1ckk h LEU 18 CO 0.04 0.91 -0.00 -0.26 -0.62 0.00 0.00 178.44 178.51 1ckk h PHE 19 N 0.01 0.00 -0.26 1.25 0.04 -1.65 -3.40 116.94 112.93 1ckk h PHE 19 Ca -0.02 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 1ckk h PHE 19 Cb 1.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.71 1ckk h PHE 19 CO 0.00 0.33 0.29 0.34 -0.60 0.00 0.00 178.31 178.67 1ckk s ASP 20 N -5.77 3.91 -0.12 2.17 2.15 -1.22 -4.67 116.67 113.12 1ckk s ASP 20 Ca -0.06 -0.90 0.06 0.00 0.43 0.00 0.00 52.55 52.07 1ckk s ASP 20 Cb -0.01 -2.59 0.36 0.00 -0.30 0.00 0.00 42.92 40.38 1ckk s ASP 20 CO 0.23 -4.17 1.10 0.29 -0.17 0.00 0.00 175.17 172.44 1ckk n LYS 21 N 8.35 2.60 -0.43 4.34 4.76 -1.26 -3.73 118.16 132.78 1ckk n LYS 21 Ca 0.43 -1.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 1ckk n LYS 21 Cb 0.46 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 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 0.22 0.00 -3.51 4.39 5.75 -1.26 -5.05 116.55 117.09 1ckk n ASP 22 Ca 0.14 -1.86 -0.28 0.00 -0.01 0.00 0.00 54.79 52.78 1ckk n ASP 22 Cb 0.72 -0.17 0.02 0.00 -1.03 0.00 0.00 41.12 40.66 1ckk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 23 N 0.00 -0.61 0.00 6.12 0.00 -1.24 -4.91 105.19 104.55 1ckk n GLY 23 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1ckk n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ckk n ASP 24 N -1.17 1.84 0.00 1.61 2.03 -1.26 -5.02 116.55 114.58 1ckk n ASP 24 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1ckk n ASP 24 Cb 0.65 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ckk n GLY 25 N 1.25 3.17 3.13 0.27 0.00 -1.26 -4.98 105.19 106.78 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 -1.90 2.19 -0.08 2.61 -4.23 -1.25 -3.97 115.64 109.01 1ckk s THR 26 Ca 0.00 -0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 59.23 1ckk s THR 26 Cb 0.00 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 1ckk s THR 26 CO 0.00 0.46 1.03 -0.63 -0.54 0.00 0.00 174.62 174.94 1ckk s ILE 27 N 1.28 4.72 0.00 2.99 1.01 -0.80 -4.78 121.20 125.62 1ckk s ILE 27 Ca 0.03 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1ckk s ILE 27 Cb -0.14 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1ckk s ILE 27 CO -0.11 0.03 0.00 0.35 0.00 0.00 0.00 174.94 175.21 1ckk n THR 28 N 4.45 0.00 -0.05 2.92 -2.24 -1.26 -2.68 114.28 115.42 1ckk n THR 28 Ca 0.09 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1ckk n THR 28 Cb 0.49 -1.15 -0.14 0.00 -2.10 0.00 0.00 70.33 67.43 1ckk n THR 28 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ckk n THR 29 N 0.00 1.57 0.10 4.28 -2.24 -1.26 -4.19 114.28 112.54 1ckk n THR 29 Ca 0.00 -0.75 -0.05 0.00 -2.27 0.00 0.00 64.05 60.98 1ckk n THR 29 Cb 0.00 -1.08 0.06 0.00 -2.10 0.00 0.00 70.33 67.21 1ckk n THR 29 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ckk h LYS 30 N 0.02 0.08 0.30 -0.78 2.10 -1.96 -2.35 116.57 113.99 1ckk h LYS 30 Ca -0.42 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 1ckk h LYS 30 Cb 2.07 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 33.41 1ckk h LYS 30 CO 0.05 0.79 -0.18 0.93 -2.00 0.00 0.00 179.45 179.04 1ckk h GLU 31 N 0.05 -0.44 -0.70 0.07 5.08 -1.92 0.51 114.58 117.24 1ckk h GLU 31 Ca -0.02 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1ckk h GLU 31 Cb 1.33 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 1ckk h GLU 31 CO 0.10 -0.29 0.46 1.25 -1.00 0.00 0.00 179.01 179.53 1ckk h LEU 32 N -0.45 0.56 -1.16 1.33 5.85 -1.73 0.11 115.31 119.82 1ckk h LEU 32 Ca -0.04 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1ckk h LEU 32 Cb 0.36 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ckk h LEU 32 CO 0.04 0.34 0.31 1.23 -0.34 0.00 0.00 178.44 180.03 1ckk h GLY 33 N 0.63 0.96 0.95 3.75 0.00 -1.00 0.24 103.07 108.59 1ckk h GLY 33 Ca 0.31 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.21 1ckk h GLY 33 CO -0.11 0.43 0.19 -0.84 0.00 0.00 0.00 176.54 176.21 1ckk h THR 34 N 0.90 1.04 -0.23 4.70 2.02 0.27 1.13 112.91 122.74 1ckk h THR 34 Ca 0.22 -0.13 -0.16 0.00 0.77 0.00 0.00 66.41 67.11 1ckk h THR 34 Cb 0.08 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1ckk h THR 34 CO -0.03 0.07 -0.52 0.58 0.37 0.00 0.00 175.52 175.99 1ckk h VAL 35 N 0.38 1.30 -0.22 3.16 2.07 -1.17 -2.21 116.25 119.56 1ckk h VAL 35 Ca 0.12 -1.74 -0.08 0.00 0.82 0.00 0.00 66.70 65.82 1ckk h VAL 35 Cb -0.01 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1ckk h VAL 35 CO -0.05 0.55 -0.17 0.24 0.02 0.00 0.00 177.57 178.16 1ckk h MET 36 N 0.52 0.51 0.00 1.57 2.86 -0.06 -2.17 114.93 118.16 1ckk h MET 36 Ca 0.02 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1ckk h MET 36 Cb 1.08 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1ckk h MET 36 CO 0.10 0.82 -0.13 -0.09 1.06 0.00 0.00 176.91 178.68 1ckk h ARG 37 N 0.21 0.00 0.00 1.72 2.43 0.13 -1.30 114.38 117.57 1ckk h ARG 37 Ca 0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1ckk h ARG 37 Cb 0.70 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1ckk h ARG 37 CO 0.04 0.13 -0.16 1.03 -1.51 0.00 0.00 179.97 179.50 1ckk h SER 38 N 0.00 0.00 0.23 -3.80 0.87 -1.18 -3.22 113.55 106.45 1ckk h SER 38 Ca -0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1ckk h SER 38 Cb 0.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1ckk h SER 38 CO 0.02 0.16 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.04 1ckk h LEU 39 N 0.00 0.21 0.00 2.23 3.38 -0.58 -3.44 115.31 117.11 1ckk h LEU 39 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ckk h LEU 39 Cb 1.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ckk h LEU 39 CO 0.02 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1ckk n GLY 40 N -0.32 1.69 0.70 0.83 0.00 -1.21 -4.95 105.19 101.94 1ckk n GLY 40 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1ckk n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ckk n GLN 41 N 0.00 -2.47 -3.60 1.61 7.27 -1.26 -4.97 117.38 113.95 1ckk n GLN 41 Ca 0.00 -0.31 -0.29 0.00 0.07 0.00 0.00 57.00 56.47 1ckk n GLN 41 Cb 0.00 -0.41 -0.15 0.00 2.41 0.00 0.00 30.24 32.09 1ckk n GLN 41 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1ckk s ASN 42 N -2.19 3.66 -0.03 1.69 0.01 -1.26 -4.44 114.94 112.36 1ckk s ASN 42 Ca 0.14 -1.52 -0.30 0.00 -0.71 0.00 0.00 52.86 50.48 1ckk s ASN 42 Cb -0.03 -0.54 -0.05 0.00 0.41 0.00 0.00 41.25 41.05 1ckk s ASN 42 CO 0.12 -0.42 1.38 -2.16 -1.51 0.00 0.00 177.10 174.51 1ckk s PRO 43 N 1.81 4.28 0.50 -0.60 0.04 -1.26 -5.02 135.00 134.75 1ckk s PRO 43 Ca 0.10 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1ckk s PRO 43 Cb -0.17 -3.63 0.02 0.00 0.04 0.00 0.00 34.50 30.75 1ckk s PRO 43 CO -0.29 -0.60 0.73 0.99 0.04 0.00 0.00 177.00 177.87 1ckk s THR 44 N 2.66 3.33 0.34 1.26 2.01 -1.26 -4.84 115.64 119.14 1ckk s THR 44 Ca 0.62 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.10 1ckk s THR 44 Cb -0.29 -3.24 0.29 0.00 0.01 0.00 0.00 72.50 69.27 1ckk s THR 44 CO 0.25 -0.17 1.94 -0.33 -0.69 0.00 0.00 174.62 175.61 1ckk h GLU 45 N 0.22 0.81 -0.05 4.92 5.08 -1.98 0.30 114.58 123.88 1ckk h GLU 45 Ca -0.44 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1ckk h GLU 45 Cb 1.27 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ckk h GLU 45 CO 0.55 0.54 -0.02 0.00 -1.00 0.00 0.00 179.01 179.08 1ckk h ALA 46 N 1.57 0.07 -0.50 3.43 0.00 -2.00 -1.90 119.26 119.94 1ckk h ALA 46 Ca 0.35 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1ckk h ALA 46 Cb 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ckk h ALA 46 CO -0.12 -0.21 -0.10 0.93 0.00 0.00 0.00 179.25 179.74 1ckk h GLU 47 N -0.27 0.91 -0.85 0.00 5.08 -1.82 -2.38 114.58 115.24 1ckk h GLU 47 Ca 0.01 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1ckk h GLU 47 Cb 0.43 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1ckk h GLU 47 CO 0.01 0.97 0.43 -0.07 -1.00 0.00 0.00 179.01 179.34 1ckk h LEU 48 N 0.82 1.10 -0.39 1.33 3.38 -0.40 0.50 115.31 121.65 1ckk h LEU 48 Ca 0.13 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1ckk h LEU 48 Cb 0.63 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ckk h LEU 48 CO 0.04 0.91 0.02 -0.61 0.09 0.00 0.00 178.44 178.89 1ckk h GLN 49 N 1.21 0.67 -0.55 1.13 5.75 -1.12 -0.16 115.11 122.04 1ckk h GLN 49 Ca 0.30 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 1ckk h GLN 49 Cb 0.09 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1ckk h GLN 49 CO -0.04 0.76 0.04 0.22 -2.65 0.00 0.00 178.83 177.15 1ckk h ASP 50 N 0.50 0.87 -0.42 -0.69 1.82 -1.06 -0.85 116.42 116.59 1ckk h ASP 50 Ca 0.11 -0.21 -0.09 0.00 -0.39 0.00 0.00 57.03 56.45 1ckk h ASP 50 Cb 0.44 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1ckk h ASP 50 CO 0.02 0.91 -0.09 0.24 -1.61 0.00 0.00 179.24 178.71 1ckk h MET 51 N 0.85 0.80 0.00 0.28 2.86 -0.66 -2.26 114.93 116.80 1ckk h MET 51 Ca 0.17 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1ckk h MET 51 Cb 0.45 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1ckk h MET 51 CO 0.02 0.92 0.00 0.82 1.06 0.00 0.00 176.91 179.73 1ckk h ILE 52 N 0.63 0.00 0.00 -1.22 1.08 -0.76 -2.36 117.51 114.88 1ckk h ILE 52 Ca 0.11 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1ckk h ILE 52 Cb 0.61 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1ckk h ILE 52 CO 0.04 0.00 -0.41 -1.13 -0.69 0.00 0.00 178.15 175.95 1ckk h ASN 53 N 0.00 0.00 0.48 1.72 -0.73 -0.64 -3.06 115.58 113.35 1ckk h ASN 53 Ca 0.00 -0.10 -0.13 0.00 1.87 0.00 0.00 56.30 57.95 1ckk h ASN 53 Cb 0.50 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 1ckk h ASN 53 CO 0.00 0.05 -0.56 -0.08 -0.37 0.00 0.00 177.43 176.46 1ckk h GLU 54 N 0.00 0.09 0.07 6.67 4.81 -0.87 -3.26 114.58 122.10 1ckk h GLU 54 Ca 0.00 -0.06 -0.35 0.00 -0.13 0.00 0.00 59.36 58.82 1ckk h GLU 54 Cb 0.81 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1ckk h GLU 54 CO 0.00 0.63 -2.01 0.28 -0.73 0.00 0.00 179.01 177.18 1ckk n VAL 55 N -3.88 1.69 -1.44 0.32 0.31 -1.24 -4.78 118.33 109.30 1ckk n VAL 55 Ca -0.02 -0.69 -0.15 0.00 -0.01 0.00 0.00 64.34 63.47 1ckk n VAL 55 Cb 0.58 -1.46 -0.14 0.00 -0.91 0.00 0.00 33.84 31.90 1ckk n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ckk n ASP 56 N -3.31 -0.50 -0.06 4.52 2.03 -1.16 -4.59 116.55 113.47 1ckk n ASP 56 Ca -0.30 -1.09 -0.03 0.00 0.52 0.00 0.00 54.79 53.89 1ckk n ASP 56 Cb 1.05 -0.93 -0.16 0.00 -0.72 0.00 0.00 41.12 40.36 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckk n ALA 57 N 9.89 1.91 -0.02 -1.67 0.00 -1.26 -4.42 120.51 124.94 1ckk n ALA 57 Ca 0.49 -1.03 -0.17 0.00 0.00 0.00 0.00 53.44 52.74 1ckk n ALA 57 Cb 0.30 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.24 1ckk n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ckk h ASP 58 N 0.00 0.64 0.00 0.00 2.03 -1.97 -3.48 116.42 113.65 1ckk h ASP 58 Ca -0.36 -0.67 0.00 0.00 -0.73 0.00 0.00 57.03 55.28 1ckk h ASP 58 Cb 1.83 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 40.14 1ckk h ASP 58 CO 0.02 1.21 0.00 0.61 -1.03 0.00 0.00 179.24 180.05 1ckk n GLY 59 N 0.79 1.92 0.13 7.15 0.00 -1.26 -5.04 105.19 108.89 1ckk n GLY 59 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 1.99 0.00 1.61 6.94 -1.26 -5.04 115.26 119.50 1ckk n ASN 60 Ca 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 1ckk n ASN 60 Cb 0.00 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 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 2.23 3.50 3.97 4.83 0.00 -1.26 -5.09 105.19 113.37 1ckk n GLY 61 Ca -0.45 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 3.59 0.13 2.61 -4.23 -1.26 -4.84 115.64 111.63 1ckk s THR 62 Ca 0.00 -0.69 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 1ckk s THR 62 Cb 0.00 -3.30 -0.07 0.00 1.34 0.00 0.00 72.50 70.47 1ckk s THR 62 CO 0.00 -0.18 0.60 -0.63 -0.54 0.00 0.00 174.62 173.87 1ckk s ILE 63 N -2.51 4.72 0.09 2.99 -1.09 -1.09 -4.83 121.20 119.48 1ckk s ILE 63 Ca 0.50 1.14 0.10 0.00 -2.23 0.00 0.00 60.65 60.16 1ckk s ILE 63 Cb -0.10 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1ckk s ILE 63 CO 0.36 0.40 -0.25 -1.81 -1.23 0.00 0.00 174.94 172.41 1ckk s ASP 64 N -1.39 3.06 0.26 3.58 1.01 -1.26 -1.91 116.67 120.02 1ckk s ASP 64 Ca 0.34 -0.66 -0.11 0.00 0.71 0.00 0.00 52.55 52.84 1ckk s ASP 64 Cb -0.18 -0.23 0.37 0.00 1.01 0.00 0.00 42.92 43.89 1ckk s ASP 64 CO 0.20 0.19 1.57 0.15 0.21 0.00 0.00 175.17 177.49 1ckk h PHE 65 N 4.35 -0.59 -0.40 4.23 3.57 -1.97 0.15 116.94 126.27 1ckk h PHE 65 Ca -0.48 0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.04 1ckk h PHE 65 Cb 1.16 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1ckk h PHE 65 CO 0.55 -0.40 -0.01 -1.00 -2.23 0.00 0.00 178.31 175.22 1ckk h PRO 66 N -0.01 0.72 -0.65 6.41 0.13 -1.95 -2.82 132.00 133.83 1ckk h PRO 66 Ca 0.42 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1ckk h PRO 66 Cb 0.65 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 1ckk h PRO 66 CO -0.94 0.81 0.37 1.49 -0.23 0.00 0.00 178.00 179.50 1ckk h GLU 67 N 0.55 0.88 -0.35 0.86 4.81 -1.24 -2.45 114.58 117.64 1ckk h GLU 67 Ca 0.11 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1ckk h GLU 67 Cb 0.49 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1ckk h GLU 67 CO 0.02 0.63 0.16 0.35 -0.73 0.00 0.00 179.01 179.45 1ckk h PHE 68 N 0.90 0.52 0.00 0.92 3.04 -0.64 -1.65 116.94 120.03 1ckk h PHE 68 Ca 0.23 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1ckk h PHE 68 Cb -0.01 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 1ckk h PHE 68 CO 0.00 0.45 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.58 1ckk h LEU 69 N 0.43 0.00 0.04 0.59 3.38 -1.21 -2.59 115.31 115.94 1ckk h LEU 69 Ca 0.12 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 1ckk h LEU 69 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ckk h LEU 69 CO -0.01 0.10 -1.13 0.71 0.09 0.00 0.00 178.44 178.20 1ckk h THR 70 N 0.00 1.56 -0.29 0.22 1.35 -1.01 -3.34 112.91 111.40 1ckk h THR 70 Ca -0.00 -3.09 -0.10 0.00 -0.55 0.00 0.00 66.41 62.67 1ckk h THR 70 Cb 0.17 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 1ckk h THR 70 CO 0.01 0.90 -0.21 -0.03 -0.25 0.00 0.00 175.52 175.94 1ckk h MET 71 N 0.06 0.66 0.00 4.72 -1.53 -0.93 -2.82 114.93 115.09 1ckk h MET 71 Ca -0.09 -0.32 0.00 0.00 -3.44 0.00 0.00 59.70 55.86 1ckk h MET 71 Cb 1.85 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.90 1ckk h MET 71 CO 0.17 0.91 0.04 -0.12 0.14 0.00 0.00 176.91 178.06 1ckk n MET 72 N -4.34 0.02 0.00 0.39 0.00 -1.08 -1.16 117.12 110.96 1ckk n MET 72 Ca -0.03 0.49 0.07 0.00 0.00 0.00 0.00 57.70 58.23 1ckk n MET 72 Cb 0.42 -1.61 -0.08 0.00 0.00 0.00 0.00 33.22 31.95 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 -1.52 3.78 -0.08 -5.12 0.00 -1.07 -4.50 120.51 112.02 1ckk n ALA 73 Ca -0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1ckk n ALA 73 Cb 0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.28 0.67 0.00 0.00 0.63 -0.31 -4.10 116.66 112.27 1ckk n ARG 74 Ca 0.03 0.29 0.03 0.00 -0.92 0.00 0.00 57.85 57.28 1ckk n ARG 74 Cb 0.22 -1.63 0.16 0.00 0.45 0.00 0.00 32.46 31.66 1ckk n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1ckk n LYS 75 N -3.72 0.03 -1.39 -0.14 3.00 -1.11 -2.60 118.16 112.21 1ckk n LYS 75 Ca -0.39 0.34 -0.35 0.00 -0.00 0.00 0.00 58.31 57.91 1ckk n LYS 75 Cb 0.94 -1.50 0.07 0.00 0.00 0.00 0.00 35.03 34.54 1ckk n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1ckk n MET 76 N -1.44 2.64 -0.64 1.64 2.81 -1.26 -4.26 117.12 116.61 1ckk n MET 76 Ca 0.02 -3.21 -0.01 0.00 -1.81 0.00 0.00 57.70 52.70 1ckk n MET 76 Cb 0.08 -2.25 -0.01 0.00 -0.71 0.00 0.00 33.22 30.33 1ckk n MET 76 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1ckk n LYS 77 N -0.77 0.01 0.06 0.03 -0.00 -1.07 -5.04 118.16 111.39 1ckk n LYS 77 Ca 0.60 -0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 1ckk n LYS 77 Cb 0.59 0.46 0.00 0.00 -0.00 0.00 0.00 35.03 36.08 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 -0.01 0.46 0.00 -5.58 -0.08 -1.26 -5.07 116.55 105.01 1ckk n ASP 78 Ca -0.03 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1ckk n ASP 78 Cb 0.32 -0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1ckk n ASP 78 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1ckk n THR 79 N -3.22 0.00 -2.78 5.18 5.66 -1.26 -5.01 114.28 112.85 1ckk n THR 79 Ca 0.00 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.56 1ckk n THR 79 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ckk n THR 79 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ckk n ASP 80 N -1.54 5.26 -0.06 1.09 8.00 -1.26 -4.60 116.55 123.43 1ckk n ASP 80 Ca 0.00 -3.05 -0.13 0.00 0.71 0.00 0.00 54.79 52.32 1ckk n ASP 80 Cb 0.00 -1.51 -0.05 0.00 -0.02 0.00 0.00 41.12 39.54 1ckk n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ckk n SER 81 N 4.65 1.13 -0.06 -2.24 2.88 -1.26 -4.55 113.62 114.17 1ckk n SER 81 Ca 0.36 0.13 -0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1ckk n SER 81 Cb 0.40 -0.35 -0.16 0.00 -0.75 0.00 0.00 64.21 63.34 1ckk n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ckk n GLU 82 N -3.49 0.68 0.21 -1.46 4.07 -1.26 -4.16 120.64 115.22 1ckk n GLU 82 Ca -0.25 -0.10 0.15 0.00 -0.06 0.00 0.00 57.16 56.90 1ckk n GLU 82 Cb 0.68 -1.52 0.55 0.00 -0.06 0.00 0.00 31.44 31.09 1ckk n GLU 82 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1ckk h GLU 83 N 0.00 0.00 0.00 5.31 4.39 -1.86 -2.61 114.58 119.81 1ckk h GLU 83 Ca -0.29 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 1ckk h GLU 83 Cb 1.66 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1ckk h GLU 83 CO 0.02 0.00 -0.16 1.49 -1.16 0.00 0.00 179.01 179.19 1ckk h GLU 84 N 0.00 0.00 0.00 2.33 4.57 -1.80 -2.51 114.58 117.17 1ckk h GLU 84 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1ckk h GLU 84 Cb 0.54 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1ckk h GLU 84 CO 0.00 0.16 -0.22 0.82 -1.18 0.00 0.00 179.01 178.59 1ckk h ILE 85 N 0.00 1.06 -0.14 2.32 2.04 -1.70 -1.75 117.51 119.33 1ckk h ILE 85 Ca -0.00 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 1ckk h ILE 85 Cb 0.63 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1ckk h ILE 85 CO 0.02 0.22 -0.23 -0.09 0.00 0.00 0.00 178.15 178.06 1ckk h ARG 86 N 0.00 0.25 -0.03 2.37 2.43 -1.61 -2.03 114.38 115.77 1ckk h ARG 86 Ca -0.00 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1ckk h ARG 86 Cb 0.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1ckk h ARG 86 CO 0.03 0.48 -0.21 0.93 -1.51 0.00 0.00 179.97 179.69 1ckk h GLU 87 N 0.23 0.19 -0.05 0.20 5.08 -1.43 -2.40 114.58 116.40 1ckk h GLU 87 Ca 0.04 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1ckk h GLU 87 Cb 0.54 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ckk h GLU 87 CO 0.04 0.85 0.04 0.00 -1.00 0.00 0.00 179.01 178.93 1ckk h ALA 88 N 0.34 2.00 -0.10 3.43 0.00 -1.38 -1.81 119.26 121.73 1ckk h ALA 88 Ca -0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1ckk h ALA 88 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ckk h ALA 88 CO 0.04 -0.06 -0.20 0.35 0.00 0.00 0.00 179.25 179.38 1ckk h PHE 89 N 0.00 0.40 -0.78 0.00 3.04 -1.30 -2.67 116.94 115.62 1ckk h PHE 89 Ca 0.02 -0.14 0.19 0.00 3.98 0.00 0.00 57.97 62.02 1ckk h PHE 89 Cb 0.10 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 1ckk h PHE 89 CO 0.00 0.81 0.54 -0.09 -2.02 0.00 0.00 178.31 177.55 1ckk h ARG 90 N -0.13 0.20 -0.20 1.11 2.43 -0.81 0.71 114.38 117.68 1ckk h ARG 90 Ca 0.00 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1ckk h ARG 90 Cb 0.79 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1ckk h ARG 90 CO 0.04 0.13 -0.38 0.28 -1.51 0.00 0.00 179.97 178.54 1ckk h VAL 91 N 0.21 1.33 0.00 0.20 2.07 -1.24 -3.03 116.25 115.78 1ckk h VAL 91 Ca 0.38 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 1ckk h VAL 91 Cb 1.20 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1ckk h VAL 91 CO -0.08 0.50 -0.27 -0.26 0.02 0.00 0.00 177.57 177.48 1ckk h PHE 92 N 0.30 0.00 -0.96 1.57 0.04 -0.60 -3.22 116.94 114.06 1ckk h PHE 92 Ca 0.01 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 60.05 1ckk h PHE 92 Cb 0.98 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.02 1ckk h PHE 92 CO 0.09 0.27 2.61 -3.47 -0.60 0.00 0.00 178.31 177.21 1ckk n ASP 93 N -3.96 7.46 -0.50 2.17 -0.08 -0.28 -4.47 116.55 116.90 1ckk n ASP 93 Ca -0.02 -3.03 0.39 0.00 -1.51 0.00 0.00 54.79 50.62 1ckk n ASP 93 Cb 0.34 -1.43 0.62 0.00 2.34 0.00 0.00 41.12 43.00 1ckk n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1ckk n LYS 94 N 2.59 -0.01 -0.06 -0.67 0.00 -1.22 -1.12 118.16 117.67 1ckk n LYS 94 Ca 0.61 0.95 -0.08 0.00 0.00 0.00 0.00 58.31 59.79 1ckk n LYS 94 Cb 0.27 -2.04 -0.05 0.00 0.00 0.00 0.00 35.03 33.20 1ckk n LYS 94 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ckk n ASP 95 N -3.92 3.09 -0.50 3.14 5.68 -1.26 -5.06 116.55 117.72 1ckk n ASP 95 Ca 0.35 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 1ckk n ASP 95 Cb 1.49 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 41.37 1ckk n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 96 N 2.91 0.70 0.84 6.12 0.00 -0.27 -5.00 105.19 110.50 1ckk n GLY 96 Ca -0.20 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.50 2.61 0.00 1.61 0.23 -1.26 -4.91 115.26 113.04 1ckk n ASN 97 Ca 0.00 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 1ckk n ASN 97 Cb 0.20 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 1.31 0.83 3.40 4.83 0.00 -1.26 -5.05 105.19 109.24 1ckk n GLY 98 Ca 0.16 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 -0.52 -0.31 1.61 2.02 -1.26 -4.51 117.35 112.38 1ckk s TYR 99 Ca 0.00 1.20 -0.11 0.00 -0.37 0.00 0.00 57.07 57.79 1ckk s TYR 99 Cb 0.00 0.20 -0.02 0.00 -0.40 0.00 0.00 41.96 41.74 1ckk s TYR 99 CO 0.00 -0.32 0.20 0.42 -1.57 0.00 0.00 175.55 174.28 1ckk s ILE 100 N -0.09 5.05 -0.06 2.71 1.01 0.23 -4.88 121.20 125.17 1ckk s ILE 100 Ca -0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1ckk s ILE 100 Cb -0.03 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1ckk s ILE 100 CO 0.02 0.09 0.19 -0.55 0.00 0.00 0.00 174.94 174.70 1ckk s SER 101 N 1.70 6.44 0.43 3.58 0.15 -1.26 -2.29 113.70 122.44 1ckk s SER 101 Ca 0.06 0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.48 1ckk s SER 101 Cb -0.17 -2.08 1.31 0.00 -1.71 0.00 0.00 66.02 63.38 1ckk s SER 101 CO 0.09 0.35 1.69 0.00 1.20 0.00 0.00 173.24 176.56 1ckk h ALA 102 N 4.55 2.58 -0.08 5.45 0.00 -1.97 0.42 119.26 130.21 1ckk h ALA 102 Ca -0.53 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1ckk h ALA 102 Cb 1.21 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ckk h ALA 102 CO 0.62 -1.11 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1ckk h ALA 103 N 1.59 0.07 -0.32 0.00 0.00 -1.98 0.47 119.26 119.09 1ckk h ALA 103 Ca 0.72 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.72 1ckk h ALA 103 Cb 2.16 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.93 1ckk h ALA 103 CO -0.34 -0.47 -0.08 0.93 0.00 0.00 0.00 179.25 179.29 1ckk h GLU 104 N 0.03 -0.00 -0.90 0.00 5.08 -0.48 -0.51 114.58 117.79 1ckk h GLU 104 Ca 0.04 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1ckk h GLU 104 Cb 0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1ckk h GLU 104 CO -0.06 -0.00 0.59 -0.07 -1.00 0.00 0.00 179.01 178.47 1ckk h LEU 105 N -0.00 1.01 -2.09 1.33 3.38 -1.17 0.34 115.31 118.11 1ckk h LEU 105 Ca 0.15 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1ckk h LEU 105 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ckk h LEU 105 CO -0.33 0.71 0.26 -0.09 0.09 0.00 0.00 178.44 179.08 1ckk h ARG 106 N 1.18 0.00 0.06 1.13 2.43 0.69 0.19 114.38 120.05 1ckk h ARG 106 Ca 0.35 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.30 1ckk h ARG 106 Cb -0.07 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1ckk h ARG 106 CO -0.10 0.00 -0.88 1.25 -1.51 0.00 0.00 179.97 178.73 1ckk h HIS 107 N 0.00 0.78 0.00 2.20 2.76 -0.16 -3.11 115.15 117.62 1ckk h HIS 107 Ca 0.14 -0.47 -0.07 0.00 -2.20 0.00 0.00 60.37 57.77 1ckk h HIS 107 Cb 0.67 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 1ckk h HIS 107 CO 0.00 1.31 -0.35 -0.24 -1.30 0.00 0.00 177.93 177.35 1ckk h VAL 108 N 0.03 0.94 0.42 5.26 3.04 -0.66 -2.58 116.25 122.69 1ckk h VAL 108 Ca -0.13 -1.35 -0.02 0.00 -1.01 0.00 0.00 66.70 64.20 1ckk h VAL 108 Cb 1.60 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.68 1ckk h VAL 108 CO 0.17 0.34 -0.20 0.24 -1.01 0.00 0.00 177.57 177.11 1ckk h MET 109 N 0.00 -0.54 -0.66 4.17 2.07 -0.70 0.11 114.93 119.38 1ckk h MET 109 Ca -0.00 0.04 0.13 0.00 -2.07 0.00 0.00 59.70 57.79 1ckk h MET 109 Cb 0.77 0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 30.58 1ckk h MET 109 CO 0.05 -0.36 0.45 0.00 1.07 0.00 0.00 176.91 178.11 1ckk h THR 110 N -0.67 0.83 0.00 2.22 1.03 -1.46 0.41 112.91 115.26 1ckk h THR 110 Ca -0.06 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.22 1ckk h THR 110 Cb 0.43 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 67.95 1ckk h THR 110 CO 0.09 0.07 0.00 0.78 -0.01 0.00 0.00 175.52 176.45 1ckk h ASN 111 N 0.36 0.00 0.09 0.00 2.35 -1.34 -3.26 115.58 113.77 1ckk h ASN 111 Ca 0.32 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.71 1ckk h ASN 111 Cb 0.75 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 1ckk h ASN 111 CO -0.09 0.00 -2.03 0.18 -1.65 0.00 0.00 177.43 173.84 1ckk n LEU 112 N -2.86 2.60 0.00 1.61 4.77 0.12 -4.50 117.00 118.74 1ckk n LEU 112 Ca 0.03 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1ckk n LEU 112 Cb 0.40 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1ckk n LEU 112 CO 0.29 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1ckk n GLY 113 N 1.96 2.40 3.55 -0.72 0.00 0.05 -4.99 105.19 107.45 1ckk n GLY 113 Ca -0.35 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 1.98 -0.40 1.61 2.56 -1.17 -4.89 118.70 118.39 1ckk s GLU 114 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 54.97 53.50 1ckk s GLU 114 Cb 0.00 -2.01 0.16 0.00 2.00 0.00 0.00 34.13 34.28 1ckk s GLU 114 CO 0.00 0.37 0.30 -1.59 -0.56 0.00 0.00 175.26 173.79 1ckk s LYS 115 N -3.35 0.85 0.20 4.30 0.00 -1.26 -3.00 119.74 117.48 1ckk s LYS 115 Ca 0.29 -1.91 -0.25 0.00 0.00 0.00 0.00 55.97 54.09 1ckk s LYS 115 Cb -0.07 -1.45 -0.15 0.00 0.00 0.00 0.00 37.83 36.16 1ckk s LYS 115 CO 0.16 -1.33 0.43 1.28 0.00 0.00 0.00 175.35 175.90 1ckk n LEU 116 N 3.18 -1.31 0.00 2.77 4.32 -1.26 -4.90 117.00 119.80 1ckk n LEU 116 Ca 0.24 1.00 0.00 0.00 -0.02 0.00 0.00 56.01 57.23 1ckk n LEU 116 Cb 0.44 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1ckk n LEU 116 CO 0.11 -2.87 0.00 0.41 -1.22 0.00 0.00 177.39 173.82 1ckk n THR 117 N -0.10 0.00 0.01 -5.08 -1.04 -1.26 -4.52 114.28 102.29 1ckk n THR 117 Ca 0.16 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.16 1ckk n THR 117 Cb 0.24 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.75 1ckk n THR 117 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ckk h ASP 118 N -1.46 -0.04 -0.86 8.00 3.58 -1.99 -2.46 116.42 121.19 1ckk h ASP 118 Ca 0.00 0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.68 1ckk h ASP 118 Cb 0.00 0.01 -0.14 0.00 1.72 0.00 0.00 39.33 40.92 1ckk h ASP 118 CO 0.00 0.02 0.18 -0.08 -2.88 0.00 0.00 179.24 176.49 1ckk h GLU 119 N -0.14 0.18 -0.60 0.28 4.57 -2.00 0.34 114.58 117.21 1ckk h GLU 119 Ca -0.00 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1ckk h GLU 119 Cb 0.03 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1ckk h GLU 119 CO 0.01 0.12 0.38 0.93 -1.18 0.00 0.00 179.01 179.26 1ckk h GLU 120 N 0.18 0.73 -0.90 1.92 5.08 -1.90 -1.87 114.58 117.81 1ckk h GLU 120 Ca 0.53 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1ckk h GLU 120 Cb 1.05 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1ckk h GLU 120 CO -0.67 0.48 0.53 0.28 -1.00 0.00 0.00 179.01 178.64 1ckk h VAL 121 N 0.75 1.25 0.00 3.13 2.07 0.14 -1.72 116.25 121.87 1ckk h VAL 121 Ca 0.23 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1ckk h VAL 121 Cb -0.02 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1ckk h VAL 121 CO -0.08 0.27 -0.28 0.44 0.02 0.00 0.00 177.57 177.94 1ckk h ASP 122 N 1.25 0.00 0.68 0.57 3.32 -0.67 -2.44 116.42 119.13 1ckk h ASP 122 Ca 0.32 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 1ckk h ASP 122 Cb -0.03 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1ckk h ASP 122 CO -0.06 0.28 -0.74 -0.33 -1.72 0.00 0.00 179.24 176.66 1ckk h GLU 123 N 0.00 0.05 0.06 3.56 5.08 -0.55 -2.30 114.58 120.48 1ckk h GLU 123 Ca -0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ckk h GLU 123 Cb 0.51 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ckk h GLU 123 CO 0.04 0.77 -0.03 1.98 -1.00 0.00 0.00 179.01 180.76 1ckk h MET 124 N 0.03 -0.08 -0.63 2.33 4.05 -0.94 -1.40 114.93 118.29 1ckk h MET 124 Ca -0.01 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1ckk h MET 124 Cb 1.31 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.10 1ckk h MET 124 CO 0.10 0.40 0.16 0.82 0.23 0.00 0.00 176.91 178.62 1ckk h ILE 125 N -0.60 1.25 0.00 1.77 1.08 -1.58 -2.41 117.51 117.03 1ckk h ILE 125 Ca -0.01 -0.92 -0.05 0.00 -0.39 0.00 0.00 64.86 63.49 1ckk h ILE 125 Cb 0.52 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1ckk h ILE 125 CO 0.01 0.35 -0.25 -0.09 -0.69 0.00 0.00 178.15 177.48 1ckk h ARG 126 N 0.93 0.00 0.00 2.37 1.12 -1.45 -1.08 114.38 116.26 1ckk h ARG 126 Ca 0.20 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.06 1ckk h ARG 126 Cb 0.35 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 1ckk h ARG 126 CO 0.00 0.25 -0.05 1.49 -3.11 0.00 0.00 179.97 178.56 1ckk h GLU 127 N 0.00 0.00 0.00 0.20 4.22 -0.72 -3.20 114.58 115.08 1ckk h GLU 127 Ca -0.00 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.09 1ckk h GLU 127 Cb 0.55 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1ckk h GLU 127 CO 0.03 0.05 -2.31 0.00 -2.18 0.00 0.00 179.01 174.60 1ckk n ALA 128 N -2.13 1.52 -1.39 2.92 0.00 -0.85 -4.92 120.51 115.66 1ckk n ALA 128 Ca 0.00 -1.09 -0.50 0.00 0.00 0.00 0.00 53.44 51.85 1ckk n ALA 128 Cb 0.30 -0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.55 1ckk n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckk n ASP 129 N -2.97 0.91 0.07 0.00 -0.08 -0.47 -4.76 116.55 109.25 1ckk n ASP 129 Ca -0.37 0.37 -0.10 0.00 -1.51 0.00 0.00 54.79 53.19 1ckk n ASP 129 Cb 1.01 -1.01 0.01 0.00 2.34 0.00 0.00 41.12 43.46 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1ckk h ILE 130 N 7.44 1.43 0.00 5.18 1.08 -1.91 -3.31 117.51 127.42 1ckk h ILE 130 Ca -0.12 -2.40 -0.06 0.00 -0.39 0.00 0.00 64.86 61.89 1ckk h ILE 130 Cb 1.35 2.32 -0.01 0.00 -3.07 0.00 0.00 36.82 37.42 1ckk h ILE 130 CO 1.19 0.71 -1.88 -0.90 -0.69 0.00 0.00 178.15 176.59 1ckk n ASP 131 N -3.74 0.93 -1.42 1.72 5.75 -1.26 -5.05 116.55 113.48 1ckk n ASP 131 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1ckk n ASP 131 Cb 0.77 1.63 0.00 0.00 -1.03 0.00 0.00 41.12 42.49 1ckk n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 132 N 1.59 -0.25 0.00 6.12 0.00 -1.25 -5.02 105.19 106.38 1ckk n GLY 132 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.93 0.46 0.00 1.61 5.75 -1.26 -5.00 116.55 117.19 1ckk n ASP 133 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.34 1ckk n ASP 133 Cb 0.45 0.97 0.00 0.00 -1.03 0.00 0.00 41.12 41.51 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 1.11 1.11 3.57 6.12 0.00 -1.26 -5.08 105.19 110.76 1ckk n GLY 134 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.64 0.77 -0.06 1.61 0.00 -1.26 -4.64 119.66 115.44 1ckk s GLN 135 Ca 0.00 0.35 -0.05 0.00 -0.00 0.00 0.00 55.36 55.66 1ckk s GLN 135 Cb 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 33.01 33.34 1ckk s GLN 135 CO 0.00 -0.21 0.16 0.08 0.00 0.00 0.00 175.29 175.33 1ckk s VAL 136 N -0.77 5.47 0.00 3.63 1.01 -0.97 -4.79 120.40 123.98 1ckk s VAL 136 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1ckk s VAL 136 Cb -0.01 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1ckk s VAL 136 CO 0.03 0.47 0.00 -3.20 0.00 0.00 0.00 175.10 172.40 1ckk n ASN 137 N 1.45 0.53 -0.03 3.32 5.15 -1.26 0.75 115.26 125.16 1ckk n ASN 137 Ca -0.15 -0.82 -0.15 0.00 -0.60 0.00 0.00 54.58 52.86 1ckk n ASN 137 Cb 0.54 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.67 1ckk n ASN 137 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ckk h TYR 138 N 0.22 0.16 -0.92 1.20 5.03 -1.99 -2.70 116.97 117.97 1ckk h TYR 138 Ca 0.00 -0.09 0.14 0.00 2.58 0.00 0.00 58.73 61.36 1ckk h TYR 138 Cb 0.00 -0.02 -0.09 0.00 1.55 0.00 0.00 36.73 38.17 1ckk h TYR 138 CO 0.00 0.90 0.53 1.49 -1.32 0.00 0.00 178.16 179.76 1ckk h GLU 139 N -0.62 0.77 0.14 1.82 4.81 -1.97 -1.54 114.58 117.99 1ckk h GLU 139 Ca -0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1ckk h GLU 139 Cb 0.94 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1ckk h GLU 139 CO 0.03 0.51 -0.07 0.93 -0.73 0.00 0.00 179.01 179.68 1ckk h GLU 140 N 0.79 -0.18 0.00 1.92 5.08 -1.96 -0.32 114.58 119.91 1ckk h GLU 140 Ca 0.48 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1ckk h GLU 140 Cb 0.60 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ckk h GLU 140 CO -0.32 0.19 0.13 0.35 -1.00 0.00 0.00 179.01 178.36 1ckk h PHE 141 N -0.58 0.00 0.00 4.33 3.57 -1.08 -2.61 116.94 120.57 1ckk h PHE 141 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1ckk h PHE 141 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1ckk h PHE 141 CO 0.05 0.00 0.00 0.28 -2.23 0.00 0.00 178.31 176.41 1ckk n VAL 142 N -2.57 0.00 -0.43 1.41 0.31 -0.63 -4.29 118.33 112.13 1ckk n VAL 142 Ca -0.02 0.48 0.38 0.00 -0.01 0.00 0.00 64.34 65.17 1ckk n VAL 142 Cb 0.17 -1.48 0.65 0.00 -0.91 0.00 0.00 33.84 32.27 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 -2.48 -0.04 0.24 5.55 -0.06 -0.16 0.26 117.38 120.69 1ckk n GLN 143 Ca 0.00 1.29 0.07 0.00 -2.00 0.00 0.00 57.00 56.36 1ckk n GLN 143 Cb 0.00 -2.47 0.59 0.00 -4.06 0.00 0.00 30.24 24.30 1ckk n GLN 143 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 1ckk h MET 144 N 0.00 0.00 0.00 3.69 2.86 -1.67 -3.02 114.93 116.80 1ckk h MET 144 Ca 0.87 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 58.15 1ckk h MET 144 Cb 2.67 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 34.27 1ckk h MET 144 CO -0.55 0.13 -2.37 -1.33 1.06 0.00 0.00 176.91 173.85 1ckk n MET 145 N -4.26 0.75 -2.52 1.72 2.81 0.72 -4.55 117.12 111.80 1ckk n MET 145 Ca -0.03 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.48 1ckk n MET 145 Cb 0.20 -1.51 0.02 0.00 -0.71 0.00 0.00 33.22 31.22 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 -2.78 5.22 -2.29 2.03 5.66 0.65 -4.82 114.28 117.94 1ckk n THR 146 Ca -0.33 -5.58 -0.40 0.00 -3.05 0.00 0.00 64.05 54.69 1ckk n THR 146 Cb 1.13 -1.46 0.01 0.00 -1.55 0.00 0.00 70.33 68.46 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 -0.19 6.34 1.55 1.79 0.00 -1.16 -4.76 120.51 124.07 1ckk n ALA 147 Ca 0.47 -4.30 0.12 0.00 0.00 0.00 0.00 53.44 49.73 1ckk n ALA 147 Cb 0.28 -2.27 0.74 0.00 0.00 0.00 0.00 19.45 18.20 1ckk n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13