#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckk s ASP 2 N 0.00 -0.54 0.68 0.00 1.47 -1.26 -5.17 116.67 111.84 1ckk s ASP 2 Ca 0.00 0.86 -0.04 0.00 1.18 0.00 0.00 52.55 54.54 1ckk s ASP 2 Cb 0.00 0.80 0.07 0.00 -0.34 0.00 0.00 42.92 43.45 1ckk s ASP 2 CO 0.00 -0.32 0.96 -1.10 0.68 0.00 0.00 175.17 175.39 1ckk s GLN 3 N -0.37 2.16 -0.75 2.11 -0.21 -1.26 -4.54 119.66 116.80 1ckk s GLN 3 Ca -0.02 -0.49 -0.07 0.00 0.02 0.00 0.00 55.36 54.80 1ckk s GLN 3 Cb -0.03 -2.25 0.01 0.00 1.00 0.00 0.00 33.01 31.74 1ckk s GLN 3 CO 0.01 -1.18 0.62 1.28 -2.12 0.00 0.00 175.29 173.90 1ckk n LEU 4 N -2.80 -2.44 -3.33 2.90 4.77 -1.26 -4.96 117.00 109.87 1ckk n LEU 4 Ca 0.09 -0.74 -0.13 0.00 -0.03 0.00 0.00 56.01 55.20 1ckk n LEU 4 Cb 0.60 -1.77 -0.07 0.00 -2.33 0.00 0.00 43.42 39.85 1ckk n LEU 4 CO 0.49 0.16 -0.11 0.28 -1.33 0.00 0.00 177.39 176.89 1ckk s THR 5 N -2.72 -0.51 -0.14 -5.08 -1.32 -1.26 -4.99 115.64 99.63 1ckk s THR 5 Ca 0.07 -0.59 0.19 0.00 -1.21 0.00 0.00 61.69 60.16 1ckk s THR 5 Cb -0.01 -0.76 -0.16 0.00 -1.51 0.00 0.00 72.50 70.06 1ckk s THR 5 CO 0.88 -0.41 0.72 1.21 -2.21 0.00 0.00 174.62 174.80 1ckk n GLU 6 N 4.80 0.63 -0.32 7.08 2.13 -1.26 -3.93 120.64 129.77 1ckk n GLU 6 Ca 0.06 0.09 -0.04 0.00 0.66 0.00 0.00 57.16 57.93 1ckk n GLU 6 Cb 0.48 -1.72 0.10 0.00 0.27 0.00 0.00 31.44 30.56 1ckk n GLU 6 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1ckk h GLU 7 N 0.00 1.24 0.43 5.31 4.11 -1.99 -0.24 114.58 123.44 1ckk h GLU 7 Ca -0.14 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.11 1ckk h GLU 7 Cb 1.42 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ckk h GLU 7 CO 0.02 0.91 -0.20 1.96 0.07 0.00 0.00 179.01 181.77 1ckk h GLN 8 N 1.24 -0.55 -0.85 1.06 1.08 -2.00 -2.72 115.11 112.37 1ckk h GLN 8 Ca 0.31 0.04 0.20 0.00 -1.45 0.00 0.00 58.65 57.75 1ckk h GLN 8 Cb 0.05 0.13 -0.12 0.00 -0.05 0.00 0.00 27.48 27.48 1ckk h GLN 8 CO -0.05 -0.34 0.31 0.82 -0.95 0.00 0.00 178.83 178.62 1ckk h ILE 9 N -1.13 0.47 -0.48 2.54 2.04 -1.67 0.25 117.51 119.52 1ckk h ILE 9 Ca -0.06 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.76 1ckk h ILE 9 Cb 0.47 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1ckk h ILE 9 CO 0.10 0.06 0.11 0.00 0.00 0.00 0.00 178.15 178.42 1ckk h ALA 10 N 1.69 0.55 -0.32 1.87 0.00 -1.04 0.24 119.26 122.25 1ckk h ALA 10 Ca 0.51 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.59 1ckk h ALA 10 Cb 0.95 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1ckk h ALA 10 CO -0.54 -0.30 -0.30 0.93 0.00 0.00 0.00 179.25 179.04 1ckk h GLU 11 N 0.25 -0.26 -0.91 0.00 5.08 -0.17 0.16 114.58 118.73 1ckk h GLU 11 Ca 0.24 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1ckk h GLU 11 Cb 0.31 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1ckk h GLU 11 CO -0.30 -0.18 0.60 0.74 -1.00 0.00 0.00 179.01 178.87 1ckk h PHE 12 N -0.27 1.12 -0.76 4.33 0.04 -1.07 -1.41 116.94 118.92 1ckk h PHE 12 Ca 0.15 0.03 0.11 0.00 2.80 0.00 0.00 57.97 61.07 1ckk h PHE 12 Cb 0.52 -0.38 -0.08 0.00 2.20 0.00 0.00 35.95 38.21 1ckk h PHE 12 CO -0.48 0.68 0.37 -0.22 -0.60 0.00 0.00 178.31 178.06 1ckk h LYS 13 N 1.19 0.57 -0.30 1.51 3.64 0.13 0.20 116.57 123.51 1ckk h LYS 13 Ca 0.34 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1ckk h LYS 13 Cb -0.07 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1ckk h LYS 13 CO -0.09 0.38 0.08 1.49 -2.27 0.00 0.00 179.45 179.04 1ckk h GLU 14 N 0.59 0.19 0.37 1.90 4.81 -0.05 0.16 114.58 122.55 1ckk h GLU 14 Ca 0.39 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1ckk h GLU 14 Cb 0.48 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1ckk h GLU 14 CO -0.31 0.12 -0.21 0.00 -0.73 0.00 0.00 179.01 177.88 1ckk h ALA 15 N 1.21 -0.54 -0.97 2.92 0.00 -0.81 0.64 119.26 121.71 1ckk h ALA 15 Ca 0.14 -0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.17 1ckk h ALA 15 Cb 0.13 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1ckk h ALA 15 CO -0.17 -0.81 0.64 0.35 0.00 0.00 0.00 179.25 179.26 1ckk h PHE 16 N -0.55 0.60 0.00 0.00 3.57 -0.25 0.69 116.94 121.00 1ckk h PHE 16 Ca -0.04 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 1ckk h PHE 16 Cb 0.44 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1ckk h PHE 16 CO -0.08 0.12 -0.85 1.03 -2.23 0.00 0.00 178.31 176.29 1ckk h SER 17 N 0.41 0.00 -0.30 0.41 0.87 0.47 -3.03 113.55 112.38 1ckk h SER 17 Ca 0.53 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 61.15 1ckk h SER 17 Cb 1.31 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.21 1ckk h SER 17 CO -0.23 0.85 -0.12 0.25 -0.53 0.00 0.00 176.83 177.05 1ckk h LEU 18 N 0.00 -0.41 -1.13 2.23 6.46 0.62 0.76 115.31 123.84 1ckk h LEU 18 Ca -0.01 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 1ckk h LEU 18 Cb 1.56 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.72 1ckk h LEU 18 CO 0.11 -0.15 -0.39 -0.26 -0.62 0.00 0.00 178.44 177.13 1ckk h PHE 19 N -0.07 0.00 -0.96 1.25 0.04 -1.55 -3.29 116.94 112.36 1ckk h PHE 19 Ca 0.15 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 60.19 1ckk h PHE 19 Cb 0.30 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.34 1ckk h PHE 19 CO -0.32 0.39 2.51 -3.47 -0.60 0.00 0.00 178.31 176.81 1ckk n ASP 20 N -3.79 6.14 -0.44 2.17 2.03 0.26 -4.30 116.55 118.63 1ckk n ASP 20 Ca -0.01 -3.02 0.38 0.00 0.52 0.00 0.00 54.79 52.66 1ckk n ASP 20 Cb 0.46 -1.48 0.72 0.00 -0.72 0.00 0.00 41.12 40.10 1ckk n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ckk h LYS 21 N 5.38 0.07 -0.00 -0.67 1.79 -1.64 2.13 116.57 123.63 1ckk h LYS 21 Ca 0.56 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.03 1ckk h LYS 21 Cb 0.50 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1ckk h LYS 21 CO 1.64 0.05 -0.35 -0.40 -1.08 0.00 0.00 179.45 179.31 1ckk n ASP 22 N -4.28 0.76 -3.48 0.86 5.75 -1.26 -4.98 116.55 109.92 1ckk n ASP 22 Ca 0.32 -0.58 -0.17 0.00 -0.01 0.00 0.00 54.79 54.35 1ckk n ASP 22 Cb 1.41 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 41.67 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 1.41 -1.18 0.02 6.12 0.00 0.72 -4.92 105.19 107.36 1ckk n GLY 23 Ca 0.09 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.73 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 -2.04 3.99 0.00 1.61 5.75 -1.26 -5.02 116.55 119.58 1ckk n ASP 24 Ca -0.17 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1ckk n ASP 24 Cb 0.62 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 25 N 3.02 0.17 2.86 6.12 0.00 -1.26 -5.12 105.19 110.99 1ckk n GLY 25 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.12 -0.08 -0.12 2.61 -4.23 -1.25 -4.05 115.64 107.39 1ckk s THR 26 Ca 0.00 0.23 -0.18 0.00 -1.18 0.00 0.00 61.69 60.55 1ckk s THR 26 Cb 0.00 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.60 1ckk s THR 26 CO 0.00 0.09 0.47 -0.63 -0.54 0.00 0.00 174.62 174.02 1ckk s ILE 27 N 1.34 5.19 0.00 2.99 1.01 -0.65 -4.83 121.20 126.25 1ckk s ILE 27 Ca -0.07 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1ckk s ILE 27 Cb -0.12 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1ckk s ILE 27 CO -0.05 0.32 0.00 0.35 0.00 0.00 0.00 174.94 175.56 1ckk n THR 28 N 3.73 0.00 -0.01 2.92 -2.24 -1.26 -2.59 114.28 114.82 1ckk n THR 28 Ca -0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 1ckk n THR 28 Cb 0.52 -1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 67.59 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 -0.39 1.72 0.06 4.28 -2.24 -1.26 -3.66 114.28 112.80 1ckk n THR 29 Ca 0.00 -0.68 -0.01 0.00 -2.27 0.00 0.00 64.05 61.09 1ckk n THR 29 Cb 0.00 -1.56 0.26 0.00 -2.10 0.00 0.00 70.33 66.92 1ckk n THR 29 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ckk h LYS 30 N 0.05 0.36 0.38 -0.78 1.57 -1.98 -1.40 116.57 114.77 1ckk h LYS 30 Ca -0.41 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1ckk h LYS 30 Cb 2.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.31 1ckk h LYS 30 CO 0.07 0.59 -0.18 0.93 -0.57 0.00 0.00 179.45 180.29 1ckk h GLU 31 N 0.32 -0.49 -0.91 3.15 5.08 -1.87 -2.36 114.58 117.49 1ckk h GLU 31 Ca 0.05 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 1ckk h GLU 31 Cb 0.62 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 1ckk h GLU 31 CO 0.04 -0.33 0.59 1.25 -1.00 0.00 0.00 179.01 179.57 1ckk h LEU 32 N -0.71 0.59 -1.04 1.33 5.85 -1.63 0.20 115.31 119.90 1ckk h LEU 32 Ca -0.05 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1ckk h LEU 32 Cb 0.39 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1ckk h LEU 32 CO 0.09 0.26 0.64 1.23 -0.34 0.00 0.00 178.44 180.32 1ckk h GLY 33 N 0.60 1.46 0.81 3.75 0.00 -1.21 -1.11 103.07 107.37 1ckk h GLY 33 Ca 0.48 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ckk h GLY 33 CO -0.22 0.38 -0.11 -0.84 0.00 0.00 0.00 176.54 175.74 1ckk h THR 34 N 1.20 0.82 -0.77 4.70 2.02 -0.05 -0.66 112.91 120.16 1ckk h THR 34 Ca 0.41 -0.38 0.13 0.00 0.77 0.00 0.00 66.41 67.33 1ckk h THR 34 Cb 0.09 1.05 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 1ckk h THR 34 CO -0.14 0.08 0.36 0.58 0.37 0.00 0.00 175.52 176.77 1ckk h VAL 35 N -0.51 0.74 -0.63 3.16 2.07 -1.09 0.78 116.25 120.76 1ckk h VAL 35 Ca -0.03 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1ckk h VAL 35 Cb 0.38 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1ckk h VAL 35 CO 0.05 0.10 0.16 0.24 0.02 0.00 0.00 177.57 178.14 1ckk h MET 36 N 0.55 0.99 0.00 1.57 2.86 -1.01 -1.17 114.93 118.72 1ckk h MET 36 Ca 0.41 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1ckk h MET 36 Cb 0.55 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1ckk h MET 36 CO -0.35 0.88 0.00 -0.09 1.06 0.00 0.00 176.91 178.42 1ckk h ARG 37 N 0.95 0.00 0.04 1.72 2.43 0.71 -3.04 114.38 117.18 1ckk h ARG 37 Ca 0.20 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1ckk h ARG 37 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1ckk h ARG 37 CO -0.00 0.00 -0.02 1.03 -1.51 0.00 0.00 179.97 179.47 1ckk h SER 38 N 0.00 -0.04 -0.97 -3.80 0.87 -0.21 -3.34 113.55 106.06 1ckk h SER 38 Ca 0.00 0.00 0.32 0.00 -1.23 0.00 0.00 61.79 60.88 1ckk h SER 38 Cb 0.26 0.01 -0.16 0.00 -0.44 0.00 0.00 62.40 62.07 1ckk h SER 38 CO 0.00 0.30 0.43 -0.07 -0.53 0.00 0.00 176.83 176.97 1ckk h LEU 39 N -0.71 0.26 0.00 2.23 3.38 -1.54 -3.44 115.31 115.49 1ckk h LEU 39 Ca -0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ckk h LEU 39 Cb 0.04 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ckk h LEU 39 CO 0.01 -0.23 0.00 0.61 0.09 0.00 0.00 178.44 178.92 1ckk n GLY 40 N -1.32 -0.07 2.37 0.83 0.00 -1.20 -5.00 105.19 100.80 1ckk n GLY 40 Ca 0.30 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.67 -3.45 1.61 6.02 -1.15 -5.04 117.38 116.04 1ckk n GLN 41 Ca 0.00 -1.53 -0.22 0.00 -0.01 0.00 0.00 57.00 55.24 1ckk n GLN 41 Cb 0.00 1.79 -0.11 0.00 1.02 0.00 0.00 30.24 32.93 1ckk n GLN 41 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1ckk s ASN 42 N -2.35 2.35 0.20 1.08 0.01 -1.26 -4.17 114.94 110.79 1ckk s ASN 42 Ca 0.12 -1.21 -0.30 0.00 -0.71 0.00 0.00 52.86 50.76 1ckk s ASN 42 Cb -0.03 0.14 -0.08 0.00 0.41 0.00 0.00 41.25 41.69 1ckk s ASN 42 CO 0.09 -0.38 1.06 -2.16 -1.51 0.00 0.00 177.10 174.20 1ckk s PRO 43 N 1.99 4.65 0.15 -0.60 0.04 -1.26 -5.03 135.00 134.95 1ckk s PRO 43 Ca 0.11 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 1ckk s PRO 43 Cb -0.16 -3.27 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 1ckk s PRO 43 CO -0.26 0.19 0.64 0.99 0.04 0.00 0.00 177.00 178.60 1ckk s THR 44 N -0.56 4.67 0.09 1.26 2.01 -1.26 -4.88 115.64 116.97 1ckk s THR 44 Ca 0.47 1.19 -0.18 0.00 0.31 0.00 0.00 61.69 63.47 1ckk s THR 44 Cb -0.29 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1ckk s THR 44 CO 0.35 0.35 1.32 -0.08 -0.69 0.00 0.00 174.62 175.86 1ckk h GLU 45 N 3.86 -0.08 -0.35 4.92 4.22 -1.99 0.24 114.58 125.39 1ckk h GLU 45 Ca -0.48 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.04 1ckk h GLU 45 Cb 1.20 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 1ckk h GLU 45 CO 0.65 -0.06 -0.21 0.00 -2.18 0.00 0.00 179.01 177.22 1ckk h ALA 46 N -0.30 0.03 -0.33 2.92 0.00 -2.00 -1.71 119.26 117.87 1ckk h ALA 46 Ca 0.07 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1ckk h ALA 46 Cb 0.28 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1ckk h ALA 46 CO -0.47 -0.59 -0.25 0.93 0.00 0.00 0.00 179.25 178.87 1ckk h GLU 47 N -0.16 -0.21 -0.71 0.00 4.39 -1.46 -1.11 114.58 115.32 1ckk h GLU 47 Ca 0.17 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.02 1ckk h GLU 47 Cb 0.43 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 28.99 1ckk h GLU 47 CO -0.44 -0.14 -0.25 -0.07 -1.16 0.00 0.00 179.01 176.95 1ckk h LEU 48 N -0.21 -0.90 -1.73 1.33 3.38 0.31 0.92 115.31 118.40 1ckk h LEU 48 Ca 0.17 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.44 1ckk h LEU 48 Cb 0.47 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1ckk h LEU 48 CO -0.45 -0.27 0.31 -0.61 0.09 0.00 0.00 178.44 177.51 1ckk h GLN 49 N -0.06 0.31 -0.44 1.13 5.75 -0.90 0.35 115.11 121.26 1ckk h GLN 49 Ca 0.32 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.67 1ckk h GLN 49 Cb 0.55 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1ckk h GLN 49 CO -0.76 0.21 -0.22 0.22 -2.65 0.00 0.00 178.83 175.63 1ckk h ASP 50 N 0.32 0.90 1.15 -0.69 1.82 0.15 -0.64 116.42 119.43 1ckk h ASP 50 Ca 0.21 -0.33 -0.17 0.00 -0.39 0.00 0.00 57.03 56.35 1ckk h ASP 50 Cb 0.40 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 1ckk h ASP 50 CO -0.05 1.09 -0.87 -0.03 -1.61 0.00 0.00 179.24 177.77 1ckk h MET 51 N 0.76 0.00 0.00 0.28 4.05 -0.01 -3.29 114.93 116.73 1ckk h MET 51 Ca 0.10 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.33 1ckk h MET 51 Cb 0.77 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.54 1ckk h MET 51 CO 0.06 0.69 -0.90 0.82 0.23 0.00 0.00 176.91 177.81 1ckk h ILE 52 N 0.00 1.64 0.00 1.77 1.08 -0.22 -3.06 117.51 118.72 1ckk h ILE 52 Ca -0.04 -3.11 0.00 0.00 -0.39 0.00 0.00 64.86 61.32 1ckk h ILE 52 Cb 1.61 2.68 0.00 0.00 -3.07 0.00 0.00 36.82 38.04 1ckk h ILE 52 CO 0.09 0.89 0.00 -3.20 -0.69 0.00 0.00 178.15 175.24 1ckk n ASN 53 N -3.45 0.00 -0.01 1.72 2.85 -0.26 -2.96 115.26 113.15 1ckk n ASN 53 Ca -0.00 -0.96 -0.21 0.00 -0.11 0.00 0.00 54.58 53.30 1ckk n ASN 53 Cb 0.86 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.75 1ckk n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1ckk h GLU 54 N 0.00 0.20 0.00 1.20 5.08 -1.63 -3.34 114.58 116.08 1ckk h GLU 54 Ca 0.00 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1ckk h GLU 54 Cb 0.00 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ckk h GLU 54 CO 0.00 1.16 -0.03 0.28 -1.00 0.00 0.00 179.01 179.43 1ckk h VAL 55 N -0.41 0.04 -0.16 3.13 2.07 -1.69 -3.43 116.25 115.81 1ckk h VAL 55 Ca -0.30 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.05 1ckk h VAL 55 Cb 1.67 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.41 1ckk h VAL 55 CO 0.02 0.03 0.76 -0.67 0.02 0.00 0.00 177.57 177.72 1ckk n ASP 56 N -3.11 0.27 -0.05 0.57 2.03 -1.16 -4.67 116.55 110.43 1ckk n ASP 56 Ca 0.04 -1.34 -0.20 0.00 0.52 0.00 0.00 54.79 53.81 1ckk n ASP 56 Cb 0.53 -1.20 -0.13 0.00 -0.72 0.00 0.00 41.12 39.61 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 11.59 0.20 -0.49 -1.67 0.00 -1.88 -3.38 119.26 123.65 1ckk h ALA 57 Ca 0.01 -1.07 0.04 0.00 0.00 0.00 0.00 54.91 53.89 1ckk h ALA 57 Cb 1.04 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1ckk h ALA 57 CO 1.20 0.67 0.25 0.38 0.00 0.00 0.00 179.25 181.75 1ckk h ASP 58 N -0.69 0.36 0.00 0.00 2.03 -1.93 -3.46 116.42 112.72 1ckk h ASP 58 Ca -0.28 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1ckk h ASP 58 Cb 1.46 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.92 1ckk h ASP 58 CO -0.07 0.25 0.00 0.61 -1.03 0.00 0.00 179.24 179.00 1ckk n GLY 59 N -1.24 1.90 0.13 7.15 0.00 -1.26 -5.04 105.19 106.83 1ckk n GLY 59 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 1.97 0.00 1.61 6.94 -1.26 -5.04 115.26 119.48 1ckk n ASN 60 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 1ckk n ASN 60 Cb 0.00 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 36.66 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 1.65 4.13 3.91 4.83 0.00 -1.26 -5.12 105.19 113.34 1ckk n GLY 61 Ca -0.44 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 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 2.58 0.08 2.61 -4.23 -1.26 -4.66 115.64 110.75 1ckk s THR 62 Ca 0.00 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1ckk s THR 62 Cb 0.00 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.65 1ckk s THR 62 CO 0.00 -0.15 0.45 -0.63 -0.54 0.00 0.00 174.62 173.75 1ckk s ILE 63 N -3.30 5.00 0.33 2.99 -1.09 -1.07 -4.71 121.20 119.35 1ckk s ILE 63 Ca 0.59 0.66 0.10 0.00 -2.23 0.00 0.00 60.65 59.78 1ckk s ILE 63 Cb -0.11 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1ckk s ILE 63 CO 0.47 0.35 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.84 1ckk s ASP 64 N -1.58 3.94 0.09 3.58 -1.08 -1.26 -1.63 116.67 118.74 1ckk s ASP 64 Ca 0.32 -1.05 -0.24 0.00 -0.52 0.00 0.00 52.55 51.07 1ckk s ASP 64 Cb -0.15 -0.45 -0.13 0.00 -1.46 0.00 0.00 42.92 40.73 1ckk s ASP 64 CO 0.17 -0.16 1.72 0.15 0.52 0.00 0.00 175.17 177.57 1ckk h PHE 65 N 1.97 -0.11 0.00 -5.34 3.57 -1.98 0.08 116.94 115.13 1ckk h PHE 65 Ca -0.42 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 60.99 1ckk h PHE 65 Cb 1.25 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1ckk h PHE 65 CO 0.74 -0.07 -0.41 -1.00 -2.23 0.00 0.00 178.31 175.34 1ckk h PRO 66 N -0.09 0.00 -0.06 6.41 0.13 -1.96 -2.30 132.00 134.13 1ckk h PRO 66 Ca 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 1ckk h PRO 66 Cb 0.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 1ckk h PRO 66 CO -0.02 0.41 -0.36 1.49 -0.23 0.00 0.00 178.00 179.29 1ckk h GLU 67 N 0.00 0.12 0.19 0.86 4.81 -1.79 -2.58 114.58 116.19 1ckk h GLU 67 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ckk h GLU 67 Cb 0.77 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1ckk h GLU 67 CO 0.05 0.47 -0.09 0.35 -0.73 0.00 0.00 179.01 179.07 1ckk h PHE 68 N 0.11 -0.24 -0.82 0.92 3.57 -0.43 -0.02 116.94 120.02 1ckk h PHE 68 Ca 0.01 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.66 1ckk h PHE 68 Cb 0.69 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1ckk h PHE 68 CO 0.01 0.17 0.54 -0.07 -2.23 0.00 0.00 178.31 176.72 1ckk h LEU 69 N -0.76 0.50 0.04 0.59 3.38 -1.45 -2.72 115.31 114.89 1ckk h LEU 69 Ca -0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ckk h LEU 69 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ckk h LEU 69 CO 0.04 0.25 -0.02 0.74 0.09 0.00 0.00 178.44 179.55 1ckk h THR 70 N 0.53 1.09 -0.98 0.22 2.02 -1.41 -3.32 112.91 111.05 1ckk h THR 70 Ca 0.41 -1.67 0.34 0.00 0.77 0.00 0.00 66.41 66.26 1ckk h THR 70 Cb 0.82 2.00 -0.17 0.00 -1.74 0.00 0.00 68.15 69.05 1ckk h THR 70 CO -0.16 0.35 0.34 -0.03 0.37 0.00 0.00 175.52 176.39 1ckk h MET 71 N -0.95 0.06 0.00 6.66 -1.53 -0.70 1.27 114.93 119.74 1ckk h MET 71 Ca -0.01 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1ckk h MET 71 Cb 0.61 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.64 1ckk h MET 71 CO 0.01 0.04 0.39 1.98 0.14 0.00 0.00 176.91 179.47 1ckk h MET 72 N 0.06 0.00 0.02 0.39 -1.53 -1.59 -0.08 114.93 112.20 1ckk h MET 72 Ca 0.72 0.00 -0.37 0.00 -3.44 0.00 0.00 59.70 56.61 1ckk h MET 72 Cb 1.72 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 32.71 1ckk h MET 72 CO -0.79 0.00 -2.30 0.00 0.14 0.00 0.00 176.91 173.96 1ckk n ALA 73 N -1.71 1.38 0.09 0.39 0.00 0.44 -4.13 120.51 116.96 1ckk n ALA 73 Ca -0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 53.44 52.28 1ckk n ALA 73 Cb 0.42 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1ckk n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckk h ARG 74 N 0.01 0.11 0.08 0.00 3.08 -1.02 -3.32 114.38 113.32 1ckk h ARG 74 Ca -0.52 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.39 1ckk h ARG 74 Cb 2.04 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.14 1ckk h ARG 74 CO -0.01 0.95 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.59 1ckk h LYS 75 N 0.05 -0.11 -2.14 0.04 3.11 -1.34 -3.14 116.57 113.05 1ckk h LYS 75 Ca -0.04 0.01 -0.33 0.00 -2.81 0.00 0.00 60.65 57.48 1ckk h LYS 75 Cb 1.60 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 32.77 1ckk h LYS 75 CO 0.13 0.12 0.38 -1.33 -2.81 0.00 0.00 179.45 175.94 1ckk n MET 76 N -5.04 2.39 -0.40 1.90 2.81 -1.25 -4.26 117.12 113.26 1ckk n MET 76 Ca -0.08 -1.52 0.08 0.00 -1.81 0.00 0.00 57.70 54.37 1ckk n MET 76 Cb 0.16 -2.15 0.23 0.00 -0.71 0.00 0.00 33.22 30.75 1ckk n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ckk n LYS 77 N 2.26 2.48 -3.36 0.03 4.81 -1.19 -4.63 118.16 118.56 1ckk n LYS 77 Ca 0.49 -2.83 -0.26 0.00 -0.87 0.00 0.00 58.31 54.84 1ckk n LYS 77 Cb 0.74 -1.77 -0.09 0.00 0.02 0.00 0.00 35.03 33.92 1ckk n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ckk n ASP 78 N -0.76 -0.11 -3.64 3.14 8.00 -1.26 -4.91 116.55 117.01 1ckk n ASP 78 Ca 0.21 -2.50 -0.25 0.00 0.71 0.00 0.00 54.79 52.96 1ckk n ASP 78 Cb 0.85 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ckk n THR 79 N 2.41 -0.31 -3.00 -3.53 -2.24 -1.26 -4.81 114.28 101.54 1ckk n THR 79 Ca 0.27 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.61 1ckk n THR 79 Cb 0.49 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1ckk n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ckk n ASP 80 N -2.15 5.50 -0.02 3.42 8.00 -1.26 -4.64 116.55 125.39 1ckk n ASP 80 Ca 0.05 -3.09 -0.06 0.00 0.71 0.00 0.00 54.79 52.40 1ckk n ASP 80 Cb 0.49 -1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.12 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ckk n SER 81 N 3.69 0.67 -0.00 -2.24 7.64 -1.26 -4.69 113.62 117.43 1ckk n SER 81 Ca 0.31 0.11 0.10 0.00 1.01 0.00 0.00 58.87 60.40 1ckk n SER 81 Cb 0.39 -0.26 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 1ckk n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ckk n GLU 82 N -3.41 0.05 -0.02 1.43 1.02 -1.26 -4.38 120.64 114.08 1ckk n GLU 82 Ca -0.11 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.85 1ckk n GLU 82 Cb 0.49 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 1ckk n GLU 82 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ckk h GLU 83 N 0.00 0.42 0.00 3.49 4.81 -1.85 -2.95 114.58 118.49 1ckk h GLU 83 Ca 0.00 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1ckk h GLU 83 Cb 0.52 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1ckk h GLU 83 CO 0.00 1.04 -0.03 1.05 -0.73 0.00 0.00 179.01 180.34 1ckk h GLU 84 N -0.06 0.00 0.07 1.92 4.11 -1.84 -2.54 114.58 116.24 1ckk h GLU 84 Ca -0.05 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 1ckk h GLU 84 Cb 1.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1ckk h GLU 84 CO 0.10 0.03 -0.60 0.82 0.07 0.00 0.00 179.01 179.43 1ckk h ILE 85 N 0.00 1.53 -0.87 -1.06 2.04 -1.75 -2.84 117.51 114.56 1ckk h ILE 85 Ca -0.00 -2.33 0.15 0.00 1.00 0.00 0.00 64.86 63.68 1ckk h ILE 85 Cb 0.10 3.02 -0.07 0.00 -0.74 0.00 0.00 36.82 39.14 1ckk h ILE 85 CO 0.00 0.65 0.57 -0.09 0.00 0.00 0.00 178.15 179.28 1ckk h ARG 86 N -0.39 0.61 0.12 2.37 2.43 -1.29 0.17 114.38 118.40 1ckk h ARG 86 Ca -0.10 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1ckk h ARG 86 Cb 1.41 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1ckk h ARG 86 CO 0.11 0.41 -0.06 0.93 -1.51 0.00 0.00 179.97 179.86 1ckk h GLU 87 N 0.63 -0.15 -0.74 0.20 3.07 -1.55 -0.69 114.58 115.36 1ckk h GLU 87 Ca 0.44 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.42 1ckk h GLU 87 Cb 0.77 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.67 1ckk h GLU 87 CO -0.19 0.28 0.49 0.00 -1.40 0.00 0.00 179.01 178.18 1ckk h ALA 88 N 0.13 1.91 -0.13 3.43 0.00 -1.09 -1.08 119.26 122.43 1ckk h ALA 88 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ckk h ALA 88 Cb 0.50 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ckk h ALA 88 CO 0.03 -0.08 -0.03 0.35 0.00 0.00 0.00 179.25 179.52 1ckk h PHE 89 N 0.57 0.28 -0.56 0.00 3.57 -0.53 -2.87 116.94 117.40 1ckk h PHE 89 Ca 0.35 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.88 1ckk h PHE 89 Cb 0.58 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1ckk h PHE 89 CO -0.00 0.54 0.18 -0.09 -2.23 0.00 0.00 178.31 176.70 1ckk h ARG 90 N -0.05 0.33 -0.51 1.11 1.12 0.09 -1.02 114.38 115.45 1ckk h ARG 90 Ca 0.03 -0.02 0.10 0.00 -1.11 0.00 0.00 59.98 58.98 1ckk h ARG 90 Cb 0.44 -0.07 -0.09 0.00 -0.01 0.00 0.00 29.97 30.24 1ckk h ARG 90 CO 0.01 0.22 -0.03 0.28 -3.11 0.00 0.00 179.97 177.34 1ckk h VAL 91 N 0.34 0.57 -0.89 0.20 2.07 -1.18 0.80 116.25 118.17 1ckk h VAL 91 Ca 0.28 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.84 1ckk h VAL 91 Cb 0.35 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1ckk h VAL 91 CO -0.31 0.01 0.58 -0.26 0.02 0.00 0.00 177.57 177.61 1ckk h PHE 92 N 0.08 1.00 -1.07 1.57 0.04 -0.98 -2.84 116.94 114.73 1ckk h PHE 92 Ca 0.25 0.03 -0.73 0.00 2.80 0.00 0.00 57.97 60.32 1ckk h PHE 92 Cb 0.39 -0.33 -0.11 0.00 2.20 0.00 0.00 35.95 38.10 1ckk h PHE 92 CO -0.35 0.51 2.47 -0.25 -0.60 0.00 0.00 178.31 180.09 1ckk n ASP 93 N -4.50 8.07 -0.23 2.17 8.00 0.27 -4.70 116.55 125.64 1ckk n ASP 93 Ca 0.14 -3.10 0.20 0.00 0.71 0.00 0.00 54.79 52.73 1ckk n ASP 93 Cb 0.23 -1.37 0.53 0.00 -0.02 0.00 0.00 41.12 40.49 1ckk n ASP 93 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ckk h LYS 94 N 4.58 0.35 -0.10 -1.24 3.64 -1.54 -0.48 116.57 121.79 1ckk h LYS 94 Ca 0.71 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.88 1ckk h LYS 94 Cb 0.31 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1ckk h LYS 94 CO 1.48 0.23 -0.69 0.38 -2.27 0.00 0.00 179.45 178.59 1ckk h ASP 95 N 0.36 0.78 -0.06 4.20 2.03 -1.90 -3.48 116.42 118.35 1ckk h ASP 95 Ca 0.45 -0.66 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1ckk h ASP 95 Cb 1.18 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 1ckk h ASP 95 CO -0.16 1.32 0.00 0.61 -1.03 0.00 0.00 179.24 179.98 1ckk n GLY 96 N 0.79 1.40 0.80 7.15 0.00 -0.19 -4.99 105.19 110.15 1ckk n GLY 96 Ca -0.08 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.20 2.42 -2.12 1.61 6.94 -1.26 -4.93 115.26 118.13 1ckk n ASN 97 Ca 0.00 -1.81 -0.14 0.00 -0.02 0.00 0.00 54.58 52.61 1ckk n ASN 97 Cb 0.06 -0.11 0.04 0.00 -2.36 0.00 0.00 39.78 37.40 1ckk n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ckk n GLY 98 N 1.29 0.02 3.61 4.83 0.00 -1.26 -5.01 105.19 108.68 1ckk n GLY 98 Ca 0.17 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.06 -0.56 -0.19 1.61 2.02 -1.26 -4.66 117.35 111.26 1ckk s TYR 99 Ca 0.27 1.27 -0.05 0.00 -0.37 0.00 0.00 57.07 58.18 1ckk s TYR 99 Cb -0.12 0.36 -0.03 0.00 -0.40 0.00 0.00 41.96 41.77 1ckk s TYR 99 CO 0.33 -0.32 0.01 0.42 -1.57 0.00 0.00 175.55 174.41 1ckk s ILE 100 N -0.09 4.10 0.09 2.71 1.01 0.95 -4.73 121.20 125.24 1ckk s ILE 100 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1ckk s ILE 100 Cb -0.04 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1ckk s ILE 100 CO -0.01 0.44 -0.22 -0.55 0.00 0.00 0.00 174.94 174.60 1ckk s SER 101 N 0.78 3.61 0.58 3.58 0.15 -1.26 -1.97 113.70 119.16 1ckk s SER 101 Ca 0.01 -0.58 0.38 0.00 0.70 0.00 0.00 55.95 56.46 1ckk s SER 101 Cb -0.14 -0.44 1.36 0.00 -1.71 0.00 0.00 66.02 65.09 1ckk s SER 101 CO 0.02 0.21 1.48 0.00 1.20 0.00 0.00 173.24 176.16 1ckk h ALA 102 N 4.15 3.37 -0.20 5.45 0.00 -1.92 1.15 119.26 131.25 1ckk h ALA 102 Ca -0.49 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1ckk h ALA 102 Cb 1.16 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ckk h ALA 102 CO 0.44 -2.01 -0.29 0.00 0.00 0.00 0.00 179.25 177.38 1ckk h ALA 103 N 0.84 0.30 -0.91 0.00 0.00 -1.99 -2.48 119.26 115.03 1ckk h ALA 103 Ca 0.69 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ckk h ALA 103 Cb 3.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 20.90 1ckk h ALA 103 CO -0.01 0.32 0.52 0.93 0.00 0.00 0.00 179.25 181.01 1ckk h GLU 104 N 0.22 1.25 -0.45 0.00 5.08 0.10 -2.48 114.58 118.30 1ckk h GLU 104 Ca 0.02 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1ckk h GLU 104 Cb 0.87 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1ckk h GLU 104 CO 0.07 0.90 0.17 -0.07 -1.00 0.00 0.00 179.01 179.08 1ckk h LEU 105 N 1.26 0.62 -1.30 1.33 3.38 -1.42 -2.03 115.31 117.15 1ckk h LEU 105 Ca 0.32 -0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1ckk h LEU 105 Cb -0.01 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1ckk h LEU 105 CO -0.06 0.63 0.58 -0.09 0.09 0.00 0.00 178.44 179.59 1ckk h ARG 106 N 0.58 0.65 0.90 1.13 2.43 -1.00 0.61 114.38 119.68 1ckk h ARG 106 Ca 0.15 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1ckk h ARG 106 Cb 0.20 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1ckk h ARG 106 CO -0.01 0.43 -0.43 1.25 -1.51 0.00 0.00 179.97 179.70 1ckk h HIS 107 N 0.67 -1.12 -0.54 2.20 2.76 -1.04 -2.42 115.15 115.66 1ckk h HIS 107 Ca 0.45 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.61 1ckk h HIS 107 Cb 0.75 0.37 -0.03 0.00 1.55 0.00 0.00 27.41 30.05 1ckk h HIS 107 CO -0.00 -0.70 0.36 0.28 -1.30 0.00 0.00 177.93 176.57 1ckk h VAL 108 N -1.23 1.12 0.05 5.26 2.07 -1.13 -1.55 116.25 120.83 1ckk h VAL 108 Ca -0.12 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1ckk h VAL 108 Cb 0.92 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1ckk h VAL 108 CO 0.20 0.13 -0.25 0.24 0.02 0.00 0.00 177.57 177.91 1ckk h MET 109 N 0.69 -0.33 -0.25 1.57 2.07 0.51 0.12 114.93 119.32 1ckk h MET 109 Ca 0.20 0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.81 1ckk h MET 109 Cb -0.03 0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.76 1ckk h MET 109 CO -0.05 -0.22 -0.02 1.15 1.07 0.00 0.00 176.91 178.84 1ckk h THR 110 N -0.34 1.17 0.00 2.22 2.02 -1.33 -0.64 112.91 116.00 1ckk h THR 110 Ca -0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1ckk h THR 110 Cb 0.35 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1ckk h THR 110 CO -0.14 0.23 0.00 0.59 0.37 0.00 0.00 175.52 176.57 1ckk n ASN 111 N -4.31 0.00 -0.07 4.18 5.03 -0.60 -3.61 115.26 115.88 1ckk n ASN 111 Ca 0.01 0.34 -0.15 0.00 0.87 0.00 0.00 54.58 55.64 1ckk n ASN 111 Cb 0.23 -0.42 -0.05 0.00 -1.02 0.00 0.00 39.78 38.52 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ckk n LEU 112 N -1.42 1.09 0.00 3.41 4.77 0.37 -4.46 117.00 120.75 1ckk n LEU 112 Ca 0.05 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1ckk n LEU 112 Cb 0.15 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1ckk n LEU 112 CO 0.13 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1ckk n GLY 113 N 2.10 -0.97 3.79 -0.72 0.00 -0.39 -4.91 105.19 104.10 1ckk n GLY 113 Ca -0.27 0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 2.88 -0.12 1.61 2.12 -1.23 -4.81 118.70 119.15 1ckk s GLU 114 Ca 0.00 -0.87 0.15 0.00 0.36 0.00 0.00 54.97 54.61 1ckk s GLU 114 Cb 0.00 -2.64 0.28 0.00 0.26 0.00 0.00 34.13 32.03 1ckk s GLU 114 CO 0.00 0.49 1.14 0.36 -0.54 0.00 0.00 175.26 176.71 1ckk n LYS 115 N -0.31 1.11 0.00 4.30 2.85 -1.26 -3.81 118.16 121.03 1ckk n LYS 115 Ca -0.08 -2.46 0.00 0.00 -1.05 0.00 0.00 58.31 54.72 1ckk n LYS 115 Cb 0.55 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ckk n LEU 116 N -1.12 0.00 0.00 -5.58 4.32 -1.26 -4.82 117.00 108.54 1ckk n LEU 116 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1ckk n LEU 116 Cb 0.67 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1ckk n LEU 116 CO -0.00 -0.05 0.00 0.41 -1.22 0.00 0.00 177.39 176.53 1ckk n THR 117 N -0.05 0.00 -0.01 -5.08 -1.04 -1.26 -5.02 114.28 101.82 1ckk n THR 117 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1ckk n THR 117 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1ckk n THR 117 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ckk n ASP 118 N 0.00 0.84 0.15 8.00 2.03 -1.26 -4.25 116.55 122.06 1ckk n ASP 118 Ca 0.00 0.13 0.03 0.00 0.52 0.00 0.00 54.79 55.46 1ckk n ASP 118 Cb 0.00 -0.30 0.39 0.00 -0.72 0.00 0.00 41.12 40.50 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ckk h GLU 119 N -0.23 0.15 -0.18 -0.67 4.22 -1.99 -1.35 114.58 114.54 1ckk h GLU 119 Ca -0.09 -0.04 -0.08 0.00 0.08 0.00 0.00 59.36 59.23 1ckk h GLU 119 Cb 0.73 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1ckk h GLU 119 CO -0.05 0.36 -0.19 0.93 -2.18 0.00 0.00 179.01 177.87 1ckk h GLU 120 N 0.14 0.45 -0.38 1.92 5.08 -1.99 -1.65 114.58 118.15 1ckk h GLU 120 Ca 0.03 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1ckk h GLU 120 Cb 0.44 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1ckk h GLU 120 CO 0.03 0.81 0.19 0.28 -1.00 0.00 0.00 179.01 179.33 1ckk h VAL 121 N 0.10 1.16 -0.93 3.13 2.07 -1.66 0.20 116.25 120.33 1ckk h VAL 121 Ca 0.03 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1ckk h VAL 121 Cb 0.74 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1ckk h VAL 121 CO 0.05 0.17 0.53 0.44 0.02 0.00 0.00 177.57 178.77 1ckk h ASP 122 N 0.48 1.14 0.49 0.57 5.19 -1.24 -1.71 116.42 121.33 1ckk h ASP 122 Ca 0.13 -0.09 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1ckk h ASP 122 Cb 0.09 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 1ckk h ASP 122 CO -0.02 0.90 -0.59 -0.08 -3.12 0.00 0.00 179.24 176.33 1ckk h GLU 123 N 1.29 0.10 -0.42 3.56 4.81 -0.91 -2.54 114.58 120.47 1ckk h GLU 123 Ca 0.33 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1ckk h GLU 123 Cb -0.01 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1ckk h GLU 123 CO -0.06 0.66 0.21 1.98 -0.73 0.00 0.00 179.01 181.07 1ckk h MET 124 N 0.08 0.59 0.00 1.92 4.05 0.30 -1.28 114.93 120.59 1ckk h MET 124 Ca -0.01 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1ckk h MET 124 Cb 1.06 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 1ckk h MET 124 CO 0.08 0.46 -0.02 0.82 0.23 0.00 0.00 176.91 178.48 1ckk h ILE 125 N 0.59 0.00 -0.99 1.77 1.08 -1.25 -3.13 117.51 115.58 1ckk h ILE 125 Ca 0.15 -0.65 0.29 0.00 -0.39 0.00 0.00 64.86 64.26 1ckk h ILE 125 Cb 0.06 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.77 1ckk h ILE 125 CO -0.02 0.00 0.71 -0.09 -0.69 0.00 0.00 178.15 178.06 1ckk h ARG 126 N -0.65 0.02 0.00 2.37 2.43 -1.51 0.41 114.38 117.46 1ckk h ARG 126 Ca 0.00 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1ckk h ARG 126 Cb 0.02 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1ckk h ARG 126 CO 0.00 0.01 -0.74 0.93 -1.51 0.00 0.00 179.97 178.67 1ckk h GLU 127 N 0.02 0.00 0.00 0.20 5.08 -1.35 -3.22 114.58 115.31 1ckk h GLU 127 Ca 0.48 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.60 1ckk h GLU 127 Cb 1.87 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.08 1ckk h GLU 127 CO -0.02 0.74 -1.46 0.00 -1.00 0.00 0.00 179.01 177.26 1ckk h ALA 128 N 1.26 0.68 -0.18 3.43 0.00 -0.25 -3.44 119.26 120.76 1ckk h ALA 128 Ca -0.01 -1.17 -0.22 0.00 0.00 0.00 0.00 54.91 53.51 1ckk h ALA 128 Cb 1.31 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 1ckk h ALA 128 CO 0.10 1.32 1.20 -3.47 0.00 0.00 0.00 179.25 178.39 1ckk n ASP 129 N -3.06 0.02 -0.34 0.00 -0.08 0.26 -4.70 116.55 108.65 1ckk n ASP 129 Ca -0.11 -0.91 -0.03 0.00 -1.51 0.00 0.00 54.79 52.23 1ckk n ASP 129 Cb 0.96 -1.03 0.10 0.00 2.34 0.00 0.00 41.12 43.49 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 7.34 1.22 0.00 5.18 1.08 -1.89 -2.54 117.51 127.90 1ckk h ILE 130 Ca 0.01 -0.42 -0.22 0.00 -0.39 0.00 0.00 64.86 63.85 1ckk h ILE 130 Cb 1.09 -0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1ckk h ILE 130 CO 1.35 0.22 -1.21 -2.24 -0.69 0.00 0.00 178.15 175.59 1ckk h ASP 131 N 1.23 0.00 -3.03 1.72 2.03 -1.93 -3.49 116.42 112.94 1ckk h ASP 131 Ca 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 1ckk h ASP 131 Cb -0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.38 1ckk h ASP 131 CO -0.08 0.88 -0.00 0.61 -1.03 0.00 0.00 179.24 179.61 1ckk n GLY 132 N 1.40 -0.57 0.00 7.15 0.00 -0.96 -5.02 105.19 107.20 1ckk n GLY 132 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.67 0.43 0.00 1.61 5.68 -1.26 -4.98 116.55 117.36 1ckk n ASP 133 Ca 0.00 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 1ckk n ASP 133 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 134 N -0.10 0.58 3.58 6.12 0.00 -1.26 -5.01 105.19 109.11 1ckk n GLY 134 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.66 0.76 -0.03 1.61 -2.07 -1.26 -4.78 119.66 113.23 1ckk s GLN 135 Ca 0.00 -0.33 0.01 0.00 -1.82 0.00 0.00 55.36 53.22 1ckk s GLN 135 Cb 0.00 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.20 1ckk s GLN 135 CO 0.00 -0.34 -0.02 0.08 -1.32 0.00 0.00 175.29 173.69 1ckk s VAL 136 N -2.95 4.07 0.00 3.63 1.01 -0.83 -4.81 120.40 120.51 1ckk s VAL 136 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ckk s VAL 136 Cb -0.01 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1ckk s VAL 136 CO -0.05 0.46 0.00 -3.20 0.00 0.00 0.00 175.10 172.31 1ckk n ASN 137 N 1.70 0.95 0.12 3.32 5.15 -1.26 -0.03 115.26 125.20 1ckk n ASN 137 Ca -0.16 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.77 1ckk n ASN 137 Cb 0.53 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.75 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 0.00 -0.33 -0.85 1.20 3.20 -2.00 -2.26 116.97 115.94 1ckk h TYR 138 Ca 0.00 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.03 1ckk h TYR 138 Cb 0.00 0.11 -0.16 0.00 1.54 0.00 0.00 36.73 38.22 1ckk h TYR 138 CO 0.00 -0.20 -0.22 0.93 -1.64 0.00 0.00 178.16 177.03 1ckk h GLU 139 N -0.79 -0.00 0.56 1.82 5.08 -1.98 -0.21 114.58 119.06 1ckk h GLU 139 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ckk h GLU 139 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ckk h GLU 139 CO 0.06 -0.00 -0.49 0.93 -1.00 0.00 0.00 179.01 178.51 1ckk h GLU 140 N -0.00 -0.99 -1.50 2.33 5.08 -1.96 2.16 114.58 119.70 1ckk h GLU 140 Ca 0.41 0.07 0.44 0.00 -1.00 0.00 0.00 59.36 59.27 1ckk h GLU 140 Cb 0.62 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1ckk h GLU 140 CO -0.88 -0.66 1.25 0.35 -1.00 0.00 0.00 179.01 178.08 1ckk h PHE 141 N -1.02 0.00 0.00 4.33 3.57 -0.43 0.89 116.94 124.27 1ckk h PHE 141 Ca -0.07 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.11 1ckk h PHE 141 Cb 0.87 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1ckk h PHE 141 CO -0.21 0.00 -2.32 0.28 -2.23 0.00 0.00 178.31 173.83 1ckk n VAL 142 N -3.71 1.20 0.30 1.41 0.31 0.05 -3.96 118.33 113.93 1ckk n VAL 142 Ca 0.34 -0.80 0.09 0.00 -0.01 0.00 0.00 64.34 63.95 1ckk n VAL 142 Cb 1.71 -0.41 0.41 0.00 -0.91 0.00 0.00 33.84 34.64 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 -2.68 0.12 -0.04 5.55 0.00 0.71 -0.98 117.38 120.06 1ckk n GLN 143 Ca -0.29 0.46 0.03 0.00 -0.00 0.00 0.00 57.00 57.19 1ckk n GLN 143 Cb 1.08 -1.77 -0.14 0.00 0.00 0.00 0.00 30.24 29.41 1ckk n GLN 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1ckk n MET 144 N -2.00 0.82 -0.02 3.69 2.81 -0.81 -4.20 117.12 117.41 1ckk n MET 144 Ca 0.01 -0.11 -0.12 0.00 -1.81 0.00 0.00 57.70 55.68 1ckk n MET 144 Cb 0.14 -1.43 -0.14 0.00 -0.71 0.00 0.00 33.22 31.08 1ckk n MET 144 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1ckk n MET 145 N -2.30 0.67 -3.05 0.03 2.81 -0.98 -4.87 117.12 109.42 1ckk n MET 145 Ca -0.12 0.27 0.04 0.00 -1.81 0.00 0.00 57.70 56.08 1ckk n MET 145 Cb 0.68 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1ckk n MET 145 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1ckk s THR 146 N -2.58 -0.47 -0.40 2.03 -1.32 -0.15 -5.03 115.64 107.71 1ckk s THR 146 Ca -0.10 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.37 1ckk s THR 146 Cb 0.08 -0.27 0.28 0.00 -1.51 0.00 0.00 72.50 71.08 1ckk s THR 146 CO 0.81 0.00 2.00 0.00 -2.21 0.00 0.00 174.62 175.22 1ckk n ALA 147 N 4.66 5.38 -0.34 11.08 0.00 -1.25 -4.60 120.51 135.44 1ckk n ALA 147 Ca 0.08 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1ckk n ALA 147 Cb 0.59 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1ckk n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13