#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 0.00 -3.95 0.00 5.68 -1.26 -4.35 116.55 112.67 1ckk n ASP 2 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.95 1ckk n ASP 2 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 1ckk n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ckk n GLN 3 N 0.00 0.41 -0.96 0.11 10.64 -1.26 -4.90 117.38 121.42 1ckk n GLN 3 Ca 0.00 -1.48 -0.37 0.00 -1.83 0.00 0.00 57.00 53.31 1ckk n GLN 3 Cb 0.00 -3.12 0.05 0.00 -0.86 0.00 0.00 30.24 26.31 1ckk n GLN 3 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1ckk n LEU 4 N 12.64 -3.58 -3.71 2.61 -0.00 -1.26 -3.60 117.00 120.11 1ckk n LEU 4 Ca 0.45 0.04 -0.23 0.00 -0.00 0.00 0.00 56.01 56.27 1ckk n LEU 4 Cb 0.44 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 1ckk n LEU 4 CO 0.94 -3.47 -0.15 0.41 -0.00 0.00 0.00 177.39 175.13 1ckk n THR 5 N -3.36 -4.40 -0.06 1.47 -1.04 -1.26 -4.89 114.28 100.75 1ckk n THR 5 Ca -0.01 -0.15 -0.02 0.00 -2.04 0.00 0.00 64.05 61.83 1ckk n THR 5 Cb 0.69 -3.52 -0.16 0.00 -1.82 0.00 0.00 70.33 65.52 1ckk n THR 5 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1ckk n GLU 6 N -2.81 0.68 0.18 -2.82 0.28 -1.24 -4.15 120.64 110.75 1ckk n GLU 6 Ca -0.25 -0.07 -0.07 0.00 -0.16 0.00 0.00 57.16 56.61 1ckk n GLU 6 Cb 0.65 -1.53 -0.04 0.00 1.43 0.00 0.00 31.44 31.95 1ckk n GLU 6 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1ckk h GLU 7 N 0.00 -0.47 -0.57 3.44 5.08 -1.92 -1.63 114.58 118.52 1ckk h GLU 7 Ca -0.33 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1ckk h GLU 7 Cb 1.75 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 30.99 1ckk h GLU 7 CO 0.02 -0.31 -0.35 1.96 -1.00 0.00 0.00 179.01 179.33 1ckk h GLN 8 N -0.80 -0.18 -0.63 2.33 4.20 -1.99 0.13 115.11 118.18 1ckk h GLN 8 Ca -0.05 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.77 1ckk h GLN 8 Cb 0.37 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.12 1ckk h GLN 8 CO 0.08 -0.12 0.24 0.82 -0.67 0.00 0.00 178.83 179.19 1ckk h ILE 9 N -0.18 0.76 -0.75 2.54 2.04 -1.72 -1.09 117.51 119.11 1ckk h ILE 9 Ca 0.22 -0.15 0.15 0.00 1.00 0.00 0.00 64.86 66.09 1ckk h ILE 9 Cb 0.55 0.30 -0.10 0.00 -0.74 0.00 0.00 36.82 36.83 1ckk h ILE 9 CO -0.67 0.08 0.26 0.00 0.00 0.00 0.00 178.15 177.82 1ckk h ALA 10 N 1.43 1.04 -0.30 1.87 0.00 0.26 0.09 119.26 123.65 1ckk h ALA 10 Ca 0.32 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1ckk h ALA 10 Cb 0.40 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ckk h ALA 10 CO -0.31 -0.27 0.19 0.93 0.00 0.00 0.00 179.25 179.78 1ckk h GLU 11 N 0.37 0.38 -0.88 0.00 5.08 -0.66 -1.47 114.58 117.40 1ckk h GLU 11 Ca 0.42 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1ckk h GLU 11 Cb 0.69 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1ckk h GLU 11 CO -0.45 0.25 0.54 0.74 -1.00 0.00 0.00 179.01 179.09 1ckk h PHE 12 N 0.39 1.14 -0.71 4.33 0.04 -0.79 -2.24 116.94 119.10 1ckk h PHE 12 Ca 0.11 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 1ckk h PHE 12 Cb -0.02 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 37.72 1ckk h PHE 12 CO -0.07 0.75 0.24 -0.22 -0.60 0.00 0.00 178.31 178.41 1ckk h LYS 13 N 1.21 1.10 -0.83 1.51 3.11 -0.50 -2.32 116.57 119.85 1ckk h LYS 13 Ca 0.32 -0.23 0.01 0.00 -2.81 0.00 0.00 60.65 57.94 1ckk h LYS 13 Cb -0.07 -0.16 -0.04 0.00 -1.00 0.00 0.00 32.23 30.95 1ckk h LYS 13 CO -0.06 0.94 0.55 1.49 -2.81 0.00 0.00 179.45 179.55 1ckk h GLU 14 N 1.05 1.07 0.14 1.90 4.81 -0.70 0.12 114.58 122.96 1ckk h GLU 14 Ca 0.23 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1ckk h GLU 14 Cb 0.28 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ckk h GLU 14 CO -0.01 0.71 -0.06 0.00 -0.73 0.00 0.00 179.01 178.91 1ckk h ALA 15 N 1.49 -0.18 -0.36 2.92 0.00 -1.08 -0.80 119.26 121.25 1ckk h ALA 15 Ca 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ckk h ALA 15 Cb -0.09 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ckk h ALA 15 CO -0.07 -0.44 0.07 0.35 0.00 0.00 0.00 179.25 179.16 1ckk h PHE 16 N -0.50 0.53 0.00 0.00 3.57 -1.18 -0.83 116.94 118.53 1ckk h PHE 16 Ca -0.02 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ckk h PHE 16 Cb 0.40 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1ckk h PHE 16 CO 0.03 0.47 0.00 1.03 -2.23 0.00 0.00 178.31 177.61 1ckk h SER 17 N 0.51 0.00 0.61 0.41 0.87 -0.62 -1.17 113.55 114.16 1ckk h SER 17 Ca 0.12 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.40 1ckk h SER 17 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1ckk h SER 17 CO -0.00 0.00 -1.29 0.25 -0.53 0.00 0.00 176.83 175.26 1ckk h LEU 18 N 0.00 0.41 0.09 2.23 6.46 0.32 -3.37 115.31 121.45 1ckk h LEU 18 Ca 0.00 -0.46 -0.26 0.00 -0.12 0.00 0.00 57.88 57.05 1ckk h LEU 18 Cb 0.63 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1ckk h LEU 18 CO 0.00 1.36 -1.33 -0.26 -0.62 0.00 0.00 178.44 177.59 1ckk h PHE 19 N 0.07 0.36 -0.91 1.25 0.04 -1.35 -3.41 116.94 112.98 1ckk h PHE 19 Ca -0.15 -0.26 -0.56 0.00 2.80 0.00 0.00 57.97 59.80 1ckk h PHE 19 Cb 1.98 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 40.03 1ckk h PHE 19 CO 0.06 1.52 1.59 0.34 -0.60 0.00 0.00 178.31 181.22 1ckk s ASP 20 N -6.96 6.28 0.16 2.17 2.15 -0.45 -4.44 116.67 115.59 1ckk s ASP 20 Ca -0.21 -1.69 -0.10 0.00 0.43 0.00 0.00 52.55 50.97 1ckk s ASP 20 Cb 0.04 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1ckk s ASP 20 CO 0.74 -1.72 1.60 0.11 -0.17 0.00 0.00 175.17 175.73 1ckk h LYS 21 N 9.27 0.99 -0.67 4.34 1.79 -1.80 -3.01 116.57 127.48 1ckk h LYS 21 Ca 0.27 -0.35 0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1ckk h LYS 21 Cb 0.96 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.48 1ckk h LYS 21 CO 1.39 1.03 0.38 -0.44 -1.08 0.00 0.00 179.45 180.73 1ckk h ASP 22 N 0.87 0.58 0.00 0.86 3.32 -1.92 -3.46 116.42 116.67 1ckk h ASP 22 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1ckk h ASP 22 Cb 0.62 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1ckk h ASP 22 CO 0.04 0.38 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 1ckk n GLY 23 N -1.29 0.67 0.14 2.75 0.00 -1.14 -4.92 105.19 101.41 1ckk n GLY 23 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ckk n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ckk h ASP 24 N 0.00 0.00 0.00 1.61 2.03 -1.89 -3.47 116.42 114.70 1ckk h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ckk h ASP 24 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ckk h ASP 24 CO 0.00 0.61 0.00 0.61 -1.03 0.00 0.00 179.24 179.43 1ckk n GLY 25 N 0.59 1.23 2.95 7.15 0.00 -1.26 -5.11 105.19 110.74 1ckk n GLY 25 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 -0.65 -0.35 2.61 -4.23 -1.24 -4.46 115.64 105.31 1ckk s THR 26 Ca 0.00 -0.06 -0.28 0.00 -1.18 0.00 0.00 61.69 60.16 1ckk s THR 26 Cb 0.00 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 73.02 1ckk s THR 26 CO 0.00 -0.11 1.06 -0.63 -0.54 0.00 0.00 174.62 174.40 1ckk s ILE 27 N 2.59 4.48 0.63 2.99 1.01 -0.97 -4.76 121.20 127.16 1ckk s ILE 27 Ca 0.14 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.37 1ckk s ILE 27 Cb -0.15 -4.43 0.08 0.00 0.01 0.00 0.00 42.46 37.97 1ckk s ILE 27 CO -0.16 -0.57 0.87 0.42 0.00 0.00 0.00 174.94 175.50 1ckk s THR 28 N 3.74 2.36 0.44 2.92 -4.23 -1.26 -2.64 115.64 116.97 1ckk s THR 28 Ca 0.44 -0.68 0.14 0.00 -1.18 0.00 0.00 61.69 60.41 1ckk s THR 28 Cb -0.11 -2.68 0.17 0.00 1.34 0.00 0.00 72.50 71.22 1ckk s THR 28 CO 0.18 0.00 1.97 0.71 -0.54 0.00 0.00 174.62 176.95 1ckk h THR 29 N -0.18 1.15 0.15 3.99 1.35 -1.96 -2.72 112.91 114.69 1ckk h THR 29 Ca -0.38 -0.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 1ckk h THR 29 Cb 1.28 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1ckk h THR 29 CO 0.45 0.20 -0.07 0.50 -0.25 0.00 0.00 175.52 176.35 1ckk h LYS 30 N 0.01 -0.19 0.00 4.72 1.63 -1.96 -0.67 116.57 120.11 1ckk h LYS 30 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1ckk h LYS 30 Cb 0.36 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1ckk h LYS 30 CO 0.03 0.26 -0.00 0.93 -3.45 0.00 0.00 179.45 177.21 1ckk h GLU 31 N -0.85 -0.01 -0.91 1.90 5.08 -1.87 0.68 114.58 118.61 1ckk h GLU 31 Ca -0.02 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1ckk h GLU 31 Cb 0.53 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1ckk h GLU 31 CO 0.03 -0.00 0.59 1.25 -1.00 0.00 0.00 179.01 179.88 1ckk h LEU 32 N -0.01 0.56 -0.83 1.33 5.85 -1.64 0.16 115.31 120.73 1ckk h LEU 32 Ca -0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ckk h LEU 32 Cb 0.01 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1ckk h LEU 32 CO -0.00 0.25 0.42 1.23 -0.34 0.00 0.00 178.44 179.99 1ckk h GLY 33 N 0.57 1.26 0.83 3.75 0.00 -0.07 -0.86 103.07 108.56 1ckk h GLY 33 Ca 0.47 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.20 1ckk h GLY 33 CO -0.22 0.58 -0.11 -0.84 0.00 0.00 0.00 176.54 175.95 1ckk h THR 34 N 1.17 0.74 -0.24 4.70 2.02 0.33 0.26 112.91 121.89 1ckk h THR 34 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1ckk h THR 34 Cb 0.08 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1ckk h THR 34 CO -0.04 0.00 0.16 0.58 0.37 0.00 0.00 175.52 176.59 1ckk h VAL 35 N -0.23 1.07 -0.71 3.16 2.07 -1.22 -1.44 116.25 118.95 1ckk h VAL 35 Ca 0.01 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1ckk h VAL 35 Cb 0.24 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1ckk h VAL 35 CO -0.05 0.07 0.46 0.24 0.02 0.00 0.00 177.57 178.32 1ckk h MET 36 N 0.32 0.91 0.00 1.57 2.86 -0.87 -0.33 114.93 119.39 1ckk h MET 36 Ca 0.09 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ckk h MET 36 Cb -0.02 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 1ckk h MET 36 CO -0.02 0.60 -0.02 -0.09 1.06 0.00 0.00 176.91 178.44 1ckk h ARG 37 N 0.93 0.00 0.08 1.72 1.12 -0.10 -3.11 114.38 115.03 1ckk h ARG 37 Ca 0.27 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.13 1ckk h ARG 37 Cb -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.89 1ckk h ARG 37 CO -0.07 0.02 -0.04 1.03 -3.11 0.00 0.00 179.97 177.80 1ckk h SER 38 N 0.00 -0.09 -0.76 -3.80 0.87 0.01 -3.25 113.55 106.53 1ckk h SER 38 Ca -0.00 -0.23 0.22 0.00 -1.23 0.00 0.00 61.79 60.55 1ckk h SER 38 Cb 0.29 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1ckk h SER 38 CO 0.00 0.49 0.84 -0.07 -0.53 0.00 0.00 176.83 177.56 1ckk h LEU 39 N -1.00 0.00 0.00 2.23 3.38 -1.39 -3.44 115.31 115.09 1ckk h LEU 39 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ckk h LEU 39 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ckk h LEU 39 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1ckk n GLY 40 N -1.61 0.69 0.00 0.83 0.00 -1.20 -5.08 105.19 98.82 1ckk n GLY 40 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.46 -3.02 1.61 1.13 -1.18 -5.04 117.38 111.34 1ckk n GLN 41 Ca 0.00 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 1ckk n GLN 41 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1ckk n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ckk n ASN 42 N 0.00 -0.54 -4.65 1.08 5.15 -1.26 -4.81 115.26 110.22 1ckk n ASN 42 Ca 0.00 -3.18 -0.43 0.00 -0.60 0.00 0.00 54.58 50.38 1ckk n ASN 42 Cb 0.00 0.33 -0.02 0.00 -0.53 0.00 0.00 39.78 39.56 1ckk n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ckk s PRO 43 N -1.15 4.13 -0.00 1.20 0.04 -1.26 -5.02 135.00 132.94 1ckk s PRO 43 Ca 0.33 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 1ckk s PRO 43 Cb 0.29 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1ckk s PRO 43 CO -0.10 -0.84 0.19 0.99 0.04 0.00 0.00 177.00 177.28 1ckk s THR 44 N 3.82 5.43 0.30 1.26 2.01 -1.26 -4.90 115.64 122.31 1ckk s THR 44 Ca 0.57 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.44 1ckk s THR 44 Cb -0.21 -3.55 0.35 0.00 0.01 0.00 0.00 72.50 69.10 1ckk s THR 44 CO 0.18 0.31 1.61 1.05 -0.69 0.00 0.00 174.62 177.09 1ckk h GLU 45 N 3.77 0.11 0.37 4.92 4.11 -1.95 0.54 114.58 126.45 1ckk h GLU 45 Ca -0.49 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 1ckk h GLU 45 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ckk h GLU 45 CO 0.69 0.07 -0.18 0.00 0.07 0.00 0.00 179.01 179.67 1ckk h ALA 46 N 1.87 -0.87 -0.90 1.06 0.00 -2.01 -2.49 119.26 115.94 1ckk h ALA 46 Ca 0.60 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.64 1ckk h ALA 46 Cb 1.28 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 19.13 1ckk h ALA 46 CO -0.76 -0.83 0.34 0.93 0.00 0.00 0.00 179.25 178.93 1ckk h GLU 47 N -0.63 0.29 -0.08 0.00 4.39 -1.71 0.30 114.58 117.15 1ckk h GLU 47 Ca -0.05 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1ckk h GLU 47 Cb 0.38 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 1ckk h GLU 47 CO 0.08 0.19 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.71 1ckk h LEU 48 N 0.30 -1.06 -1.15 1.33 3.38 0.12 0.79 115.31 119.02 1ckk h LEU 48 Ca 0.57 0.14 0.26 0.00 0.09 0.00 0.00 57.88 58.95 1ckk h LEU 48 Cb 1.15 0.44 -0.11 0.00 0.09 0.00 0.00 40.66 42.22 1ckk h LEU 48 CO -0.59 -0.39 0.63 -0.61 0.09 0.00 0.00 178.44 177.57 1ckk h GLN 49 N -0.45 0.47 -0.26 1.13 4.15 -0.47 0.66 115.11 120.34 1ckk h GLN 49 Ca 0.08 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1ckk h GLN 49 Cb 0.58 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1ckk h GLN 49 CO -0.33 0.31 -0.09 0.22 -1.93 0.00 0.00 178.83 177.01 1ckk h ASP 50 N 0.49 0.40 0.24 -0.69 1.82 -0.55 -0.92 116.42 117.22 1ckk h ASP 50 Ca 0.64 -0.09 -0.27 0.00 -0.39 0.00 0.00 57.03 56.92 1ckk h ASP 50 Cb 1.39 -0.11 0.02 0.00 0.68 0.00 0.00 39.33 41.31 1ckk h ASP 50 CO -0.41 0.54 -1.12 -0.03 -1.61 0.00 0.00 179.24 176.61 1ckk h MET 51 N 0.40 0.52 -0.17 0.28 4.05 0.10 -3.25 114.93 116.86 1ckk h MET 51 Ca 0.08 -0.65 -0.11 0.00 -0.28 0.00 0.00 59.70 58.74 1ckk h MET 51 Cb 0.41 0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1ckk h MET 51 CO 0.02 1.26 -0.39 0.82 0.23 0.00 0.00 176.91 178.86 1ckk h ILE 52 N 0.25 1.30 -0.70 1.77 5.03 -0.82 -3.14 117.51 121.21 1ckk h ILE 52 Ca -0.14 -1.51 0.15 0.00 -0.12 0.00 0.00 64.86 63.25 1ckk h ILE 52 Cb 1.78 1.60 -0.11 0.00 -3.03 0.00 0.00 36.82 37.06 1ckk h ILE 52 CO 0.20 0.46 0.09 0.78 -0.68 0.00 0.00 178.15 179.00 1ckk h ASN 53 N 0.31 -0.15 0.65 1.72 -0.26 -1.20 1.90 115.58 118.55 1ckk h ASN 53 Ca 0.03 0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.90 1ckk h ASN 53 Cb 0.83 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1ckk h ASN 53 CO 0.07 -0.09 -0.33 -0.08 -1.06 0.00 0.00 177.43 175.93 1ckk h GLU 54 N 0.18 -0.87 -0.26 0.81 4.57 -1.68 -3.17 114.58 114.17 1ckk h GLU 54 Ca 0.38 0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.50 1ckk h GLU 54 Cb 0.65 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1ckk h GLU 54 CO -0.54 -0.58 -0.32 0.28 -1.18 0.00 0.00 179.01 176.67 1ckk h VAL 55 N -0.90 1.31 0.00 0.32 2.07 -1.49 -3.34 116.25 114.22 1ckk h VAL 55 Ca -0.09 -1.50 -0.49 0.00 0.82 0.00 0.00 66.70 65.44 1ckk h VAL 55 Cb 0.70 1.67 0.08 0.00 -1.52 0.00 0.00 31.29 32.22 1ckk h VAL 55 CO 0.13 0.48 1.78 -0.67 0.02 0.00 0.00 177.57 179.31 1ckk n ASP 56 N -4.26 1.84 -0.36 0.57 2.03 0.64 -4.69 116.55 112.32 1ckk n ASP 56 Ca -0.04 -2.46 0.03 0.00 0.52 0.00 0.00 54.79 52.84 1ckk n ASP 56 Cb 0.49 -0.78 0.10 0.00 -0.72 0.00 0.00 41.12 40.21 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 8.50 0.46 -0.33 -1.67 0.00 -1.73 0.17 119.26 124.66 1ckk h ALA 57 Ca 0.30 0.34 -0.07 0.00 0.00 0.00 0.00 54.91 55.48 1ckk h ALA 57 Cb 0.51 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ckk h ALA 57 CO 1.78 -0.47 -0.08 0.38 0.00 0.00 0.00 179.25 180.85 1ckk h ASP 58 N -0.01 0.64 -0.69 0.00 2.03 -1.91 -3.48 116.42 113.00 1ckk h ASP 58 Ca 0.42 -0.37 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1ckk h ASP 58 Cb 0.67 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1ckk h ASP 58 CO -0.99 0.86 0.00 0.61 -1.03 0.00 0.00 179.24 178.69 1ckk n GLY 59 N -0.17 0.53 0.01 7.15 0.00 0.58 -5.01 105.19 108.28 1ckk n GLY 59 Ca -0.02 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 0.24 0.00 1.61 0.23 -1.26 -4.97 115.26 110.83 1ckk n ASN 60 Ca 0.00 -0.22 0.00 0.00 -0.53 0.00 0.00 54.58 53.83 1ckk n ASN 60 Cb 0.18 1.77 0.00 0.00 -2.08 0.00 0.00 39.78 39.66 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ckk n GLY 61 N 1.32 1.04 3.23 4.83 0.00 -1.26 -5.08 105.19 109.26 1ckk n GLY 61 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 -0.02 0.46 2.61 -4.23 -1.26 -4.67 115.64 106.53 1ckk s THR 62 Ca 0.00 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.48 1ckk s THR 62 Cb 0.00 -0.54 -0.06 0.00 1.34 0.00 0.00 72.50 73.25 1ckk s THR 62 CO 0.00 0.03 0.84 -0.63 -0.54 0.00 0.00 174.62 174.32 1ckk s ILE 63 N 0.97 4.75 0.29 2.99 -1.09 -1.08 -4.77 121.20 123.27 1ckk s ILE 63 Ca -0.06 0.68 0.03 0.00 -2.23 0.00 0.00 60.65 59.07 1ckk s ILE 63 Cb -0.07 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1ckk s ILE 63 CO -0.08 -0.68 0.05 -0.62 -1.23 0.00 0.00 174.94 172.38 1ckk s ASP 64 N -3.43 2.05 0.24 3.58 2.15 -1.26 -2.29 116.67 117.70 1ckk s ASP 64 Ca 0.52 -1.35 -0.07 0.00 0.43 0.00 0.00 52.55 52.09 1ckk s ASP 64 Cb -0.10 -0.02 0.22 0.00 -0.30 0.00 0.00 42.92 42.71 1ckk s ASP 64 CO 0.36 -0.61 1.87 0.15 -0.17 0.00 0.00 175.17 176.78 1ckk h PHE 65 N 2.24 1.25 0.00 -5.34 3.57 -1.99 -2.24 116.94 114.43 1ckk h PHE 65 Ca -0.40 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 60.96 1ckk h PHE 65 Cb 1.24 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1ckk h PHE 65 CO 0.56 0.85 -0.58 -1.00 -2.23 0.00 0.00 178.31 175.91 1ckk h PRO 66 N 1.29 0.00 -0.05 6.41 0.13 -1.98 -2.71 132.00 135.10 1ckk h PRO 66 Ca 0.33 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.34 1ckk h PRO 66 Cb -0.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 1ckk h PRO 66 CO -0.06 0.58 -0.52 0.93 -0.23 0.00 0.00 178.00 178.71 1ckk h GLU 67 N 0.00 0.12 -0.08 0.86 5.08 -1.83 -2.42 114.58 116.32 1ckk h GLU 67 Ca -0.01 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1ckk h GLU 67 Cb 1.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ckk h GLU 67 CO 0.08 0.61 -0.27 0.35 -1.00 0.00 0.00 179.01 178.77 1ckk h PHE 68 N 0.10 0.43 0.00 4.33 3.04 -1.19 -2.40 116.94 121.24 1ckk h PHE 68 Ca 0.00 -0.18 -0.04 0.00 3.98 0.00 0.00 57.97 61.73 1ckk h PHE 68 Cb 0.95 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1ckk h PHE 68 CO 0.01 0.89 -0.19 -0.07 -2.02 0.00 0.00 178.31 176.93 1ckk h LEU 69 N -0.16 0.00 0.00 0.59 3.38 -1.47 -2.68 115.31 114.98 1ckk h LEU 69 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1ckk h LEU 69 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1ckk h LEU 69 CO 0.06 0.19 -1.13 0.74 0.09 0.00 0.00 178.44 178.38 1ckk h THR 70 N 0.00 1.21 0.02 0.22 2.02 -1.41 -3.34 112.91 111.63 1ckk h THR 70 Ca -0.00 -2.87 -0.07 0.00 0.77 0.00 0.00 66.41 64.24 1ckk h THR 70 Cb 0.49 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1ckk h THR 70 CO 0.02 0.69 -0.29 -0.03 0.37 0.00 0.00 175.52 176.29 1ckk h MET 71 N 0.00 0.16 0.00 6.66 -1.53 -1.17 -2.80 114.93 116.25 1ckk h MET 71 Ca -0.09 -0.20 0.00 0.00 -3.44 0.00 0.00 59.70 55.97 1ckk h MET 71 Cb 1.74 0.06 0.00 0.00 -0.55 0.00 0.00 31.60 32.85 1ckk h MET 71 CO 0.10 0.99 0.00 -0.12 0.14 0.00 0.00 176.91 178.01 1ckk n MET 72 N -4.47 0.03 -0.10 0.39 0.00 -1.03 -1.43 117.12 110.50 1ckk n MET 72 Ca -0.10 0.52 -0.13 0.00 0.00 0.00 0.00 57.70 57.98 1ckk n MET 72 Cb 0.55 -1.58 -0.12 0.00 0.00 0.00 0.00 33.22 32.07 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 1.53 0.89 -5.12 0.00 -1.22 -3.99 120.51 111.06 1ckk n ALA 73 Ca -0.00 -1.04 0.13 0.00 0.00 0.00 0.00 53.44 52.53 1ckk n ALA 73 Cb 0.01 -0.06 0.38 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.99 0.07 -0.00 0.00 0.63 -0.98 -3.10 116.66 110.29 1ckk n ARG 74 Ca -0.36 0.04 0.10 0.00 -0.92 0.00 0.00 57.85 56.70 1ckk n ARG 74 Cb 0.98 -1.56 -0.13 0.00 0.45 0.00 0.00 32.46 32.20 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 -1.67 0.28 -0.12 -0.14 3.00 -0.52 -4.41 118.16 114.58 1ckk n LYS 75 Ca 0.06 -0.06 -0.16 0.00 -0.00 0.00 0.00 58.31 58.16 1ckk n LYS 75 Cb 0.36 -1.49 -0.13 0.00 0.00 0.00 0.00 35.03 33.77 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 -1.70 0.66 0.00 1.64 2.81 -1.24 -4.22 117.12 115.07 1ckk n MET 76 Ca 0.02 0.11 0.04 0.00 -1.81 0.00 0.00 57.70 56.05 1ckk n MET 76 Cb 0.39 -1.53 0.17 0.00 -0.71 0.00 0.00 33.22 31.55 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 -3.11 0.03 0.00 0.03 3.00 -1.18 -3.97 118.16 112.96 1ckk n LYS 77 Ca -0.41 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1ckk n LYS 77 Cb 1.04 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.57 1ckk n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ckk n ASP 78 N -1.45 0.00 0.00 3.14 8.00 -1.26 -5.10 116.55 119.88 1ckk n ASP 78 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1ckk n ASP 78 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1ckk n ASP 78 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1ckk n THR 79 N -0.11 0.00 -3.12 -3.53 5.66 -1.25 -5.09 114.28 106.83 1ckk n THR 79 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 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 0.00 -6.74 0.00 1.09 9.92 -1.26 -4.92 116.55 114.64 1ckk n ASP 80 Ca 0.00 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 1ckk n ASP 80 Cb 0.00 -1.99 0.00 0.00 -0.64 0.00 0.00 41.12 38.49 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ckk n SER 81 N 1.38 2.23 -0.02 -2.24 7.64 -1.26 -4.63 113.62 116.72 1ckk n SER 81 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.96 1ckk n SER 81 Cb 0.40 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.43 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 -2.41 0.66 0.14 1.43 4.71 -1.26 -3.96 120.64 119.95 1ckk n GLU 82 Ca 0.00 -0.18 -0.25 0.00 -0.01 0.00 0.00 57.16 56.72 1ckk n GLU 82 Cb 0.37 -1.51 -0.16 0.00 -1.01 0.00 0.00 31.44 29.13 1ckk n GLU 82 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1ckk h GLU 83 N 0.00 0.53 0.00 3.49 4.81 -1.98 -2.87 114.58 118.56 1ckk h GLU 83 Ca -0.05 -0.91 -0.08 0.00 -0.13 0.00 0.00 59.36 58.19 1ckk h GLU 83 Cb 1.11 0.34 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1ckk h GLU 83 CO 0.00 1.44 -0.36 1.05 -0.73 0.00 0.00 179.01 180.41 1ckk h GLU 84 N 0.14 0.00 0.10 1.92 4.11 -1.82 -2.92 114.58 116.11 1ckk h GLU 84 Ca -0.26 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.90 1ckk h GLU 84 Cb 2.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.42 1ckk h GLU 84 CO 0.27 0.36 -1.18 0.82 0.07 0.00 0.00 179.01 179.35 1ckk h ILE 85 N 0.00 1.43 0.00 -1.06 2.04 -1.69 -2.82 117.51 115.41 1ckk h ILE 85 Ca -0.00 -2.78 -0.05 0.00 1.00 0.00 0.00 64.86 63.02 1ckk h ILE 85 Cb 0.74 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1ckk h ILE 85 CO 0.05 0.82 -0.23 -0.09 0.00 0.00 0.00 178.15 178.70 1ckk h ARG 86 N 0.15 0.00 0.02 2.37 2.43 -1.36 0.12 114.38 118.11 1ckk h ARG 86 Ca -0.13 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1ckk h ARG 86 Cb 1.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1ckk h ARG 86 CO 0.20 0.23 -0.01 0.93 -1.51 0.00 0.00 179.97 179.81 1ckk h GLU 87 N 0.00 -0.02 -0.56 0.20 4.39 -1.51 -2.18 114.58 114.89 1ckk h GLU 87 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ckk h GLU 87 Cb 0.41 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1ckk h GLU 87 CO 0.03 0.70 0.34 0.00 -1.16 0.00 0.00 179.01 178.91 1ckk h ALA 88 N 0.13 1.54 0.55 3.43 0.00 -1.31 -2.68 119.26 120.92 1ckk h ALA 88 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ckk h ALA 88 Cb 0.73 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ckk h ALA 88 CO 0.00 0.40 -0.27 0.35 0.00 0.00 0.00 179.25 179.74 1ckk h PHE 89 N 0.77 -0.69 -1.10 0.00 3.04 -0.77 -2.52 116.94 115.66 1ckk h PHE 89 Ca 0.20 -0.02 0.35 0.00 3.98 0.00 0.00 57.97 62.49 1ckk h PHE 89 Cb -0.03 0.23 -0.14 0.00 2.56 0.00 0.00 35.95 38.57 1ckk h PHE 89 CO 0.00 -0.36 0.67 -0.09 -2.02 0.00 0.00 178.31 176.51 1ckk h ARG 90 N -0.96 0.24 -0.37 1.11 9.65 -1.17 1.36 114.38 124.23 1ckk h ARG 90 Ca -0.08 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.71 1ckk h ARG 90 Cb 0.64 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 1ckk h ARG 90 CO 0.12 0.16 -0.11 0.28 2.80 0.00 0.00 179.97 183.22 1ckk h VAL 91 N 0.24 1.25 -0.26 0.20 2.07 -1.15 -2.83 116.25 115.76 1ckk h VAL 91 Ca 0.75 -1.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1ckk h VAL 91 Cb 1.96 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1ckk h VAL 91 CO -0.51 0.37 -0.34 -0.26 0.02 0.00 0.00 177.57 176.85 1ckk h PHE 92 N 0.60 0.65 -2.34 1.57 0.04 0.22 -3.28 116.94 114.40 1ckk h PHE 92 Ca 0.11 -0.17 -0.80 0.00 2.80 0.00 0.00 57.97 59.90 1ckk h PHE 92 Cb 0.54 -0.15 -0.26 0.00 2.20 0.00 0.00 35.95 38.28 1ckk h PHE 92 CO 0.02 0.83 1.11 -3.47 -0.60 0.00 0.00 178.31 176.20 1ckk n ASP 93 N -4.06 7.04 -0.40 2.17 2.03 -0.75 -4.60 116.55 117.98 1ckk n ASP 93 Ca -0.01 -3.54 0.39 0.00 0.52 0.00 0.00 54.79 52.15 1ckk n ASP 93 Cb 0.47 -1.23 0.69 0.00 -0.72 0.00 0.00 41.12 40.34 1ckk n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ckk h LYS 94 N 4.69 0.00 0.04 -0.67 3.11 -1.65 0.25 116.57 122.33 1ckk h LYS 94 Ca 0.44 0.00 -0.37 0.00 -2.81 0.00 0.00 60.65 57.91 1ckk h LYS 94 Cb 0.42 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.60 1ckk h LYS 94 CO 1.27 0.00 -2.24 -0.40 -2.81 0.00 0.00 179.45 175.28 1ckk n ASP 95 N -3.77 1.53 -1.09 4.20 5.75 -1.26 -5.02 116.55 116.88 1ckk n ASP 95 Ca 0.30 0.05 -0.03 0.00 -0.01 0.00 0.00 54.79 55.10 1ckk n ASP 95 Cb 1.56 -0.24 0.01 0.00 -1.03 0.00 0.00 41.12 41.42 1ckk n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 96 N 2.01 0.58 0.12 6.12 0.00 0.87 -4.94 105.19 109.95 1ckk n GLY 96 Ca -0.36 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.30 1ckk n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1ckk h ASN 97 N -0.33 0.00 0.00 1.61 7.08 -1.95 -3.46 115.58 118.53 1ckk h ASN 97 Ca -0.08 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.14 1ckk h ASN 97 Cb 1.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.29 1ckk h ASN 97 CO 0.07 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.03 1ckk n GLY 98 N 1.05 1.31 3.34 9.14 0.00 -1.26 -5.09 105.19 113.68 1ckk n GLY 98 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.25 -0.16 1.61 1.51 -1.26 -4.33 117.35 112.97 1ckk s TYR 99 Ca 0.00 -0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1ckk s TYR 99 Cb 0.00 0.02 -0.01 0.00 -0.11 0.00 0.00 41.96 41.86 1ckk s TYR 99 CO 0.00 -0.71 -0.09 0.42 -1.11 0.00 0.00 175.55 174.05 1ckk s ILE 100 N -3.93 3.22 0.14 2.71 1.01 0.89 -4.87 121.20 120.37 1ckk s ILE 100 Ca 0.13 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1ckk s ILE 100 Cb 0.03 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1ckk s ILE 100 CO -0.03 0.49 0.10 -0.94 0.00 0.00 0.00 174.94 174.55 1ckk s SER 101 N 0.75 5.41 0.38 3.58 1.04 -1.26 -2.21 113.70 121.39 1ckk s SER 101 Ca -0.04 -0.13 0.18 0.00 0.48 0.00 0.00 55.95 56.44 1ckk s SER 101 Cb -0.15 -1.39 1.11 0.00 0.10 0.00 0.00 66.02 65.69 1ckk s SER 101 CO 0.02 0.11 1.71 0.00 0.98 0.00 0.00 173.24 176.06 1ckk h ALA 102 N 2.76 2.17 -0.45 5.32 0.00 -1.94 0.34 119.26 127.46 1ckk h ALA 102 Ca -0.47 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ckk h ALA 102 Cb 1.19 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1ckk h ALA 102 CO 0.63 -0.67 0.29 0.00 0.00 0.00 0.00 179.25 179.50 1ckk h ALA 103 N 1.69 0.57 -0.77 0.00 0.00 -1.99 -2.30 119.26 116.47 1ckk h ALA 103 Ca 0.68 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.63 1ckk h ALA 103 Cb 1.67 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 1ckk h ALA 103 CO -0.42 0.04 0.43 0.93 0.00 0.00 0.00 179.25 180.23 1ckk h GLU 104 N 0.61 0.72 -0.28 0.00 5.08 -0.65 -1.67 114.58 118.39 1ckk h GLU 104 Ca 0.16 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1ckk h GLU 104 Cb -0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1ckk h GLU 104 CO -0.03 0.48 0.11 -0.07 -1.00 0.00 0.00 179.01 178.49 1ckk h LEU 105 N 0.74 0.13 -0.87 1.33 3.38 -1.12 -1.79 115.31 117.12 1ckk h LEU 105 Ca 0.37 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.53 1ckk h LEU 105 Cb 0.31 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.97 1ckk h LEU 105 CO -0.23 0.11 0.42 -0.09 0.09 0.00 0.00 178.44 178.74 1ckk h ARG 106 N 0.24 0.54 -0.21 1.13 1.12 -0.89 1.17 114.38 117.48 1ckk h ARG 106 Ca 0.12 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 58.98 1ckk h ARG 106 Cb 0.08 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.90 1ckk h ARG 106 CO -0.12 0.35 0.09 1.25 -3.11 0.00 0.00 179.97 178.44 1ckk h HIS 107 N 0.55 0.17 0.00 2.20 2.76 -0.99 0.18 115.15 120.02 1ckk h HIS 107 Ca 0.50 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.59 1ckk h HIS 107 Cb 0.79 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1ckk h HIS 107 CO -0.10 0.09 -0.42 -0.24 -1.30 0.00 0.00 177.93 175.96 1ckk h VAL 108 N 0.20 0.88 0.00 5.26 3.04 -0.69 -1.84 116.25 123.10 1ckk h VAL 108 Ca 0.09 -1.74 -0.00 0.00 -1.01 0.00 0.00 66.70 64.04 1ckk h VAL 108 Cb 0.03 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1ckk h VAL 108 CO -0.07 0.41 -0.00 -0.03 -1.01 0.00 0.00 177.57 176.87 1ckk h MET 109 N 0.00 -0.00 -0.05 4.17 -1.53 0.22 -2.87 114.93 114.87 1ckk h MET 109 Ca -0.00 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.12 1ckk h MET 109 Cb 1.04 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.08 1ckk h MET 109 CO 0.05 0.55 -0.57 1.79 0.14 0.00 0.00 176.91 178.87 1ckk h THR 110 N -0.56 1.39 0.00 -0.77 1.35 -0.71 -2.51 112.91 111.10 1ckk h THR 110 Ca -0.00 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1ckk h THR 110 Cb 0.55 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1ckk h THR 110 CO 0.00 0.56 0.00 0.59 -0.25 0.00 0.00 175.52 176.42 1ckk n ASN 111 N -3.88 0.00 -0.09 5.36 4.13 -0.69 -3.54 115.26 116.54 1ckk n ASN 111 Ca -0.02 0.10 -0.16 0.00 1.68 0.00 0.00 54.58 56.18 1ckk n ASN 111 Cb 0.59 -0.32 -0.07 0.00 -1.54 0.00 0.00 39.78 38.43 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ckk n LEU 112 N -1.32 2.20 0.00 3.41 4.77 -1.01 -4.49 117.00 120.56 1ckk n LEU 112 Ca 0.08 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1ckk n LEU 112 Cb 0.16 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1ckk n LEU 112 CO 0.15 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1ckk n GLY 113 N 2.27 2.03 3.88 -0.72 0.00 -0.98 -4.99 105.19 106.67 1ckk n GLY 113 Ca -0.34 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 3.54 -0.09 1.61 2.12 -1.21 -4.91 118.70 119.76 1ckk s GLU 114 Ca 0.00 -0.06 0.12 0.00 0.36 0.00 0.00 54.97 55.39 1ckk s GLU 114 Cb 0.00 -3.16 0.20 0.00 0.26 0.00 0.00 34.13 31.43 1ckk s GLU 114 CO 0.00 0.73 1.11 0.36 -0.54 0.00 0.00 175.26 176.92 1ckk n LYS 115 N 1.65 1.94 0.00 4.30 2.85 -1.26 -3.85 118.16 123.80 1ckk n LYS 115 Ca -0.16 -2.22 0.00 0.00 -1.05 0.00 0.00 58.31 54.88 1ckk n LYS 115 Cb 0.54 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 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 -1.06 0.00 0.00 -5.58 4.32 -1.26 -4.84 117.00 108.58 1ckk n LEU 116 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1ckk n LEU 116 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1ckk n LEU 116 CO 0.01 0.00 0.00 0.41 -1.22 0.00 0.00 177.39 176.59 1ckk n THR 117 N 0.00 0.00 -0.09 -5.08 -1.04 -1.26 -5.00 114.28 101.81 1ckk n THR 117 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1ckk n THR 117 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1ckk n THR 117 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ckk n ASP 118 N 0.00 1.44 0.01 8.00 5.75 -1.26 -4.03 116.55 126.45 1ckk n ASP 118 Ca 0.00 0.17 -0.04 0.00 -0.01 0.00 0.00 54.79 54.91 1ckk n ASP 118 Cb 0.00 -0.47 0.19 0.00 -1.03 0.00 0.00 41.12 39.81 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1ckk h GLU 119 N -0.53 0.51 -0.32 0.11 5.08 -2.00 -2.70 114.58 114.73 1ckk h GLU 119 Ca -0.43 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 57.69 1ckk h GLU 119 Cb 1.41 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1ckk h GLU 119 CO -0.24 0.71 -0.02 0.93 -1.00 0.00 0.00 179.01 179.40 1ckk h GLU 120 N 0.45 0.57 -0.43 2.33 4.39 -1.98 0.01 114.58 119.92 1ckk h GLU 120 Ca 0.07 -0.19 0.08 0.00 0.34 0.00 0.00 59.36 59.65 1ckk h GLU 120 Cb 0.66 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.20 1ckk h GLU 120 CO 0.05 0.72 0.01 0.28 -1.16 0.00 0.00 179.01 178.91 1ckk h VAL 121 N 0.37 0.69 0.48 3.13 2.07 -1.64 0.47 116.25 121.81 1ckk h VAL 121 Ca 0.09 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1ckk h VAL 121 Cb 0.47 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ckk h VAL 121 CO 0.02 0.02 -0.23 -0.78 0.02 0.00 0.00 177.57 176.62 1ckk h ASP 122 N 0.12 -0.54 -0.93 0.57 1.82 -1.33 -2.42 116.42 113.72 1ckk h ASP 122 Ca 0.21 -0.08 0.27 0.00 -0.39 0.00 0.00 57.03 57.04 1ckk h ASP 122 Cb 0.30 0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.41 1ckk h ASP 122 CO -0.34 -0.21 0.67 -0.08 -1.61 0.00 0.00 179.24 177.66 1ckk h GLU 123 N -0.89 0.00 0.71 0.28 4.57 -0.62 -1.23 114.58 117.41 1ckk h GLU 123 Ca -0.07 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1ckk h GLU 123 Cb 0.58 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1ckk h GLU 123 CO 0.11 0.00 -0.34 0.52 -1.18 0.00 0.00 179.01 178.12 1ckk h MET 124 N 0.00 -0.92 -0.64 1.92 2.86 0.43 0.45 114.93 119.03 1ckk h MET 124 Ca 0.44 0.06 0.10 0.00 -2.06 0.00 0.00 59.70 58.24 1ckk h MET 124 Cb 1.76 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 33.59 1ckk h MET 124 CO -0.01 -0.62 0.43 0.82 1.06 0.00 0.00 176.91 178.59 1ckk h ILE 125 N -1.02 0.91 -0.33 -1.22 1.08 -1.06 -1.49 117.51 114.38 1ckk h ILE 125 Ca -0.10 -0.16 -0.06 0.00 -0.39 0.00 0.00 64.86 64.14 1ckk h ILE 125 Cb 0.73 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1ckk h ILE 125 CO 0.16 0.09 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.57 1ckk h ARG 126 N 0.47 0.62 0.00 2.37 2.43 -1.03 0.26 114.38 119.50 1ckk h ARG 126 Ca 0.29 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1ckk h ARG 126 Cb 0.52 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1ckk h ARG 126 CO -0.09 0.77 -0.33 0.93 -1.51 0.00 0.00 179.97 179.75 1ckk h GLU 127 N 0.41 0.00 0.03 0.20 5.08 0.01 -2.76 114.58 117.54 1ckk h GLU 127 Ca 0.09 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.21 1ckk h GLU 127 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1ckk h GLU 127 CO 0.03 0.33 -1.14 0.00 -1.00 0.00 0.00 179.01 177.23 1ckk h ALA 128 N 1.67 0.34 -1.77 3.43 0.00 -1.07 -3.43 119.26 118.44 1ckk h ALA 128 Ca -0.00 -0.97 -0.54 0.00 0.00 0.00 0.00 54.91 53.39 1ckk h ALA 128 Cb 0.59 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ckk h ALA 128 CO 0.04 1.23 1.39 0.34 0.00 0.00 0.00 179.25 182.25 1ckk s ASP 129 N -6.74 5.44 0.47 0.00 2.15 0.06 -4.82 116.67 113.23 1ckk s ASP 129 Ca -0.01 1.17 0.19 0.00 0.43 0.00 0.00 52.55 54.34 1ckk s ASP 129 Cb 0.09 -2.52 1.16 0.00 -0.30 0.00 0.00 42.92 41.35 1ckk s ASP 129 CO 0.83 -2.09 2.01 0.40 -0.17 0.00 0.00 175.17 176.15 1ckk h ILE 130 N 7.03 0.93 0.00 4.11 1.08 -1.84 -2.77 117.51 126.05 1ckk h ILE 130 Ca -0.32 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1ckk h ILE 130 Cb 1.20 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.31 1ckk h ILE 130 CO 1.08 0.17 -1.37 -0.90 -0.69 0.00 0.00 178.15 176.44 1ckk n ASP 131 N -4.05 1.15 -2.90 1.72 5.68 -1.26 -5.02 116.55 111.86 1ckk n ASP 131 Ca -0.02 -0.31 -0.12 0.00 -0.50 0.00 0.00 54.79 53.84 1ckk n ASP 131 Cb 0.25 1.46 0.06 0.00 -1.14 0.00 0.00 41.12 41.75 1ckk n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 132 N 1.52 -0.71 0.04 6.12 0.00 -1.05 -4.95 105.19 106.16 1ckk n GLY 132 Ca -0.01 0.39 0.03 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.87 0.25 0.00 1.61 5.75 -1.26 -4.98 116.55 115.05 1ckk n ASP 133 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1ckk n ASP 133 Cb 0.60 1.56 0.00 0.00 -1.03 0.00 0.00 41.12 42.25 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 1.52 1.07 3.31 6.12 0.00 -1.26 -5.12 105.19 110.83 1ckk n GLY 134 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1ckk n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckk s GLN 135 N 0.00 1.05 0.21 1.61 -0.21 -1.26 -4.71 119.66 116.35 1ckk s GLN 135 Ca 0.00 -0.85 0.06 0.00 0.02 0.00 0.00 55.36 54.59 1ckk s GLN 135 Cb 0.00 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.40 1ckk s GLN 135 CO 0.00 -0.40 0.17 0.08 -2.12 0.00 0.00 175.29 173.03 1ckk s VAL 136 N -3.85 4.48 0.44 1.09 1.01 -0.94 -4.83 120.40 117.80 1ckk s VAL 136 Ca 0.06 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1ckk s VAL 136 Cb 0.03 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1ckk s VAL 136 CO -0.09 -0.25 0.10 -0.46 0.00 0.00 0.00 175.10 174.40 1ckk n ASN 137 N -0.83 1.92 0.15 3.32 6.94 -1.26 -0.07 115.26 125.42 1ckk n ASN 137 Ca -0.08 -3.19 -0.06 0.00 -0.02 0.00 0.00 54.58 51.23 1ckk n ASN 137 Cb 0.56 0.82 -0.03 0.00 -2.36 0.00 0.00 39.78 38.78 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 1.54 -0.34 -1.13 -2.53 3.20 -1.99 -0.09 116.97 115.64 1ckk h TYR 138 Ca -0.35 -0.01 0.33 0.00 3.14 0.00 0.00 58.73 61.84 1ckk h TYR 138 Cb 1.23 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 1ckk h TYR 138 CO 0.00 -0.21 0.98 0.93 -1.64 0.00 0.00 178.16 178.22 1ckk h GLU 139 N -0.39 0.00 0.00 1.82 3.07 -1.98 -0.27 114.58 116.84 1ckk h GLU 139 Ca -0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1ckk h GLU 139 Cb 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1ckk h GLU 139 CO 0.06 0.00 -0.05 1.49 -1.40 0.00 0.00 179.01 179.11 1ckk h GLU 140 N 0.00 0.00 0.00 2.33 4.81 -1.88 -0.90 114.58 118.93 1ckk h GLU 140 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1ckk h GLU 140 Cb 2.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.87 1ckk h GLU 140 CO -0.01 0.75 0.25 0.35 -0.73 0.00 0.00 179.01 179.62 1ckk h PHE 141 N -1.00 0.00 0.00 0.92 3.57 0.76 -1.43 116.94 119.76 1ckk h PHE 141 Ca -0.01 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.27 1ckk h PHE 141 Cb 0.77 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1ckk h PHE 141 CO 0.20 0.00 -1.69 0.28 -2.23 0.00 0.00 178.31 174.88 1ckk n VAL 142 N -2.51 1.51 0.13 1.41 0.31 -0.84 -3.71 118.33 114.63 1ckk n VAL 142 Ca -0.02 -0.10 0.08 0.00 -0.01 0.00 0.00 64.34 64.30 1ckk n VAL 142 Cb 0.28 -2.13 0.44 0.00 -0.91 0.00 0.00 33.84 31.52 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 -4.37 0.10 -0.05 5.55 -0.06 -0.35 -0.30 117.38 117.90 1ckk n GLN 143 Ca -0.32 0.60 -0.04 0.00 -2.00 0.00 0.00 57.00 55.23 1ckk n GLN 143 Cb 0.68 -1.88 -0.15 0.00 -4.06 0.00 0.00 30.24 24.83 1ckk n GLN 143 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 1ckk n MET 144 N -2.07 0.67 -0.00 3.69 1.56 -0.56 -3.58 117.12 116.82 1ckk n MET 144 Ca -0.01 0.02 0.10 0.00 -0.27 0.00 0.00 57.70 57.53 1ckk n MET 144 Cb 0.06 -1.59 -0.12 0.00 2.15 0.00 0.00 33.22 33.72 1ckk n MET 144 CO 0.00 0.00 0.00 -0.12 -0.73 0.00 0.00 175.97 175.12 1ckk n MET 145 N -2.70 0.17 -0.08 2.12 0.00 -0.46 -4.49 117.12 111.68 1ckk n MET 145 Ca -0.22 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.70 57.32 1ckk n MET 145 Cb 0.98 -1.48 -0.05 0.00 0.00 0.00 0.00 33.22 32.67 1ckk n MET 145 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ckk n THR 146 N -1.49 1.15 -0.84 1.12 -2.24 0.58 -4.60 114.28 107.97 1ckk n THR 146 Ca 0.04 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1ckk n THR 146 Cb 0.32 -1.87 -0.08 0.00 -2.10 0.00 0.00 70.33 66.61 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckk n ALA 147 N -3.94 5.36 0.00 6.98 0.00 -1.23 -5.08 120.51 122.60 1ckk n ALA 147 Ca -0.28 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1ckk n ALA 147 Cb 0.63 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67