#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 3.53 -0.18 0.00 1.11 -1.26 -5.03 116.67 114.84 1ckk s ASP 2 Ca 0.00 1.13 -0.09 0.00 0.18 0.00 0.00 52.55 53.77 1ckk s ASP 2 Cb 0.00 -1.77 -0.05 0.00 1.07 0.00 0.00 42.92 42.17 1ckk s ASP 2 CO 0.00 -2.56 0.13 -1.10 1.18 0.00 0.00 175.17 172.82 1ckk s GLN 3 N -5.16 3.96 -0.14 8.23 -1.52 -1.26 -5.06 119.66 118.71 1ckk s GLN 3 Ca 0.63 -0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 53.55 1ckk s GLN 3 Cb -0.16 -3.34 -0.01 0.00 -0.22 0.00 0.00 33.01 29.28 1ckk s GLN 3 CO 0.55 0.44 1.12 -0.51 -0.25 0.00 0.00 175.29 176.63 1ckk s LEU 4 N -0.05 4.20 -0.25 2.90 1.43 -1.26 -4.33 118.68 121.31 1ckk s LEU 4 Ca 0.10 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 1ckk s LEU 4 Cb -0.11 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.58 1ckk s LEU 4 CO -0.00 -0.61 0.26 0.35 0.23 0.00 0.00 176.35 176.58 1ckk n THR 5 N 4.98 -6.26 -0.05 5.49 -2.24 -1.26 -4.92 114.28 110.01 1ckk n THR 5 Ca 0.11 0.78 0.02 0.00 -2.27 0.00 0.00 64.05 62.69 1ckk n THR 5 Cb 0.46 -4.73 -0.16 0.00 -2.10 0.00 0.00 70.33 63.80 1ckk n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ckk n GLU 6 N 0.54 0.69 -0.08 -0.78 0.00 -1.26 -4.31 120.64 115.43 1ckk n GLU 6 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 57.16 57.11 1ckk n GLU 6 Cb 0.42 -1.51 0.43 0.00 0.00 0.00 0.00 31.44 30.78 1ckk n GLU 6 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1ckk h GLU 7 N 0.00 0.55 -0.18 5.31 4.11 -1.96 0.17 114.58 122.59 1ckk h GLU 7 Ca -0.23 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.03 1ckk h GLU 7 Cb 1.50 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1ckk h GLU 7 CO 0.01 0.36 -0.47 0.37 0.07 0.00 0.00 179.01 179.36 1ckk h GLN 8 N 0.57 0.45 -0.02 1.06 4.15 -1.96 -2.77 115.11 116.59 1ckk h GLN 8 Ca 0.24 -0.25 -0.21 0.00 0.77 0.00 0.00 58.65 59.20 1ckk h GLN 8 Cb 0.24 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1ckk h GLN 8 CO -0.07 0.83 -0.87 0.82 -1.93 0.00 0.00 178.83 177.62 1ckk h ILE 9 N 0.36 1.41 0.76 2.39 2.04 -1.30 -2.02 117.51 121.16 1ckk h ILE 9 Ca 0.02 -2.39 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 1ckk h ILE 9 Cb 0.97 2.33 0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1ckk h ILE 9 CO 0.08 0.71 -0.37 0.00 0.00 0.00 0.00 178.15 178.58 1ckk h ALA 10 N 0.84 -1.26 -0.88 1.87 0.00 -0.61 0.25 119.26 119.47 1ckk h ALA 10 Ca -0.06 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ckk h ALA 10 Cb 1.48 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 1ckk h ALA 10 CO 0.15 -1.19 0.57 1.05 0.00 0.00 0.00 179.25 179.83 1ckk h GLU 11 N -1.03 0.93 -0.50 0.00 4.11 -1.60 -0.62 114.58 115.87 1ckk h GLU 11 Ca -0.10 -0.06 0.03 0.00 0.07 0.00 0.00 59.36 59.30 1ckk h GLU 11 Cb 0.78 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1ckk h GLU 11 CO 0.17 0.61 0.27 0.74 0.07 0.00 0.00 179.01 180.87 1ckk h PHE 12 N 0.95 0.50 -0.92 2.06 -1.00 -1.04 -0.98 116.94 116.51 1ckk h PHE 12 Ca 0.39 0.02 0.13 0.00 2.81 0.00 0.00 57.97 61.32 1ckk h PHE 12 Cb 0.27 -0.15 -0.09 0.00 3.61 0.00 0.00 35.95 39.59 1ckk h PHE 12 CO -0.00 0.26 0.53 -0.22 -1.61 0.00 0.00 178.31 177.28 1ckk h LYS 13 N 0.53 0.79 -0.39 1.51 1.63 0.11 -0.62 116.57 120.13 1ckk h LYS 13 Ca 0.21 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.04 1ckk h LYS 13 Cb 0.08 -0.18 -0.07 0.00 -0.60 0.00 0.00 32.23 31.47 1ckk h LYS 13 CO -0.13 0.52 -0.03 1.49 -3.45 0.00 0.00 179.45 177.86 1ckk h GLU 14 N 0.81 0.07 0.24 1.90 4.57 -0.83 0.94 114.58 122.28 1ckk h GLU 14 Ca 0.47 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 1ckk h GLU 14 Cb 0.56 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1ckk h GLU 14 CO -0.30 0.05 -0.15 0.00 -1.18 0.00 0.00 179.01 177.43 1ckk h ALA 15 N 1.35 -0.37 -0.54 2.92 0.00 -0.90 0.71 119.26 122.43 1ckk h ALA 15 Ca 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ckk h ALA 15 Cb 0.27 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ckk h ALA 15 CO -0.34 -0.71 0.33 0.35 0.00 0.00 0.00 179.25 178.87 1ckk h PHE 16 N -0.38 0.71 0.00 0.00 3.57 -0.76 -0.26 116.94 119.81 1ckk h PHE 16 Ca -0.02 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1ckk h PHE 16 Cb 0.31 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1ckk h PHE 16 CO -0.09 0.47 -0.29 1.03 -2.23 0.00 0.00 178.31 177.21 1ckk h SER 17 N 0.75 0.00 -0.38 0.41 0.87 0.16 -1.54 113.55 113.82 1ckk h SER 17 Ca 0.20 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1ckk h SER 17 Cb -0.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1ckk h SER 17 CO -0.04 0.29 -0.22 0.25 -0.53 0.00 0.00 176.83 176.58 1ckk h LEU 18 N 0.00 0.84 0.23 2.23 6.46 0.95 -3.32 115.31 122.70 1ckk h LEU 18 Ca -0.00 -0.42 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1ckk h LEU 18 Cb 0.58 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1ckk h LEU 18 CO 0.04 1.08 -0.11 -0.26 -0.62 0.00 0.00 178.44 178.57 1ckk h PHE 19 N 0.61 -0.29 -2.84 1.25 0.04 -1.19 -3.44 116.94 111.08 1ckk h PHE 19 Ca 0.08 -0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.32 1ckk h PHE 19 Cb 0.78 0.09 0.04 0.00 2.20 0.00 0.00 35.95 39.07 1ckk h PHE 19 CO 0.06 -0.03 0.86 0.34 -0.60 0.00 0.00 178.31 178.94 1ckk s ASP 20 N -5.28 6.62 -0.26 2.17 -1.08 -0.61 -4.54 116.67 113.69 1ckk s ASP 20 Ca -0.08 2.58 -0.13 0.00 -0.52 0.00 0.00 52.55 54.39 1ckk s ASP 20 Cb 0.00 -2.59 -0.14 0.00 -1.46 0.00 0.00 42.92 38.73 1ckk s ASP 20 CO 0.28 -0.80 -0.21 1.17 0.52 0.00 0.00 175.17 176.12 1ckk n LYS 21 N 3.99 0.60 0.06 4.34 3.00 -1.26 -4.50 118.16 124.39 1ckk n LYS 21 Ca 0.14 0.31 -0.11 0.00 -0.00 0.00 0.00 58.31 58.64 1ckk n LYS 21 Cb 0.39 -1.55 -0.01 0.00 0.00 0.00 0.00 35.03 33.86 1ckk n LYS 21 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1ckk h ASP 22 N -0.85 0.47 -0.63 3.14 2.03 -1.96 -3.48 116.42 115.15 1ckk h ASP 22 Ca -0.62 -0.35 0.00 0.00 -0.73 0.00 0.00 57.03 55.33 1ckk h ASP 22 Cb 1.61 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.97 1ckk h ASP 22 CO -0.33 1.13 0.00 0.61 -1.03 0.00 0.00 179.24 179.62 1ckk n GLY 23 N 0.79 0.86 0.09 7.15 0.00 -1.26 -5.00 105.19 107.82 1ckk n GLY 23 Ca -0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 1ckk n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 24 N 0.47 0.82 0.00 1.61 5.75 -1.26 -4.97 116.55 118.97 1ckk n ASP 24 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1ckk n ASP 24 Cb 0.26 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.49 1.90 3.63 6.12 0.00 -1.26 -5.12 105.19 111.96 1ckk n GLY 25 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.47 -0.27 2.61 -4.23 -1.25 -4.45 115.64 105.58 1ckk s THR 26 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 1ckk s THR 26 Cb 0.00 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 1ckk s THR 26 CO 0.00 0.00 0.54 -0.63 -0.54 0.00 0.00 174.62 173.99 1ckk s ILE 27 N 2.23 5.04 0.47 2.99 1.01 -0.40 -4.81 121.20 127.73 1ckk s ILE 27 Ca -0.08 0.85 0.09 0.00 0.00 0.00 0.00 60.65 61.51 1ckk s ILE 27 Cb -0.08 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.55 1ckk s ILE 27 CO -0.19 0.02 0.64 0.42 0.00 0.00 0.00 174.94 175.83 1ckk s THR 28 N 2.37 2.70 0.17 2.92 -4.23 -1.26 -2.63 115.64 115.69 1ckk s THR 28 Ca 0.22 -1.01 0.34 0.00 -1.18 0.00 0.00 61.69 60.06 1ckk s THR 28 Cb -0.15 -2.71 0.36 0.00 1.34 0.00 0.00 72.50 71.34 1ckk s THR 28 CO 0.10 0.00 2.03 0.71 -0.54 0.00 0.00 174.62 176.92 1ckk h THR 29 N 0.49 0.00 -0.00 3.99 1.35 -1.94 -2.35 112.91 114.45 1ckk h THR 29 Ca -0.37 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 1ckk h THR 29 Cb 1.28 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1ckk h THR 29 CO 0.44 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 175.79 1ckk h LYS 30 N 0.00 0.02 0.02 4.72 6.56 -1.99 -1.99 116.57 123.92 1ckk h LYS 30 Ca 0.00 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1ckk h LYS 30 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1ckk h LYS 30 CO 0.00 0.79 -0.01 0.93 -2.06 0.00 0.00 179.45 179.10 1ckk h GLU 31 N -0.75 -0.03 0.14 3.15 5.08 -1.81 -2.74 114.58 117.62 1ckk h GLU 31 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ckk h GLU 31 Cb 0.80 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ckk h GLU 31 CO 0.00 0.33 -0.08 1.25 -1.00 0.00 0.00 179.01 179.52 1ckk h LEU 32 N -0.39 -0.18 -0.62 1.33 5.85 -1.57 -2.58 115.31 117.15 1ckk h LEU 32 Ca -0.00 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.85 1ckk h LEU 32 Cb 0.37 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.34 1ckk h LEU 32 CO 0.01 -0.12 -0.10 1.23 -0.34 0.00 0.00 178.44 179.11 1ckk h GLY 33 N -0.20 0.52 0.63 3.75 0.00 -1.40 0.51 103.07 106.88 1ckk h GLY 33 Ca -0.02 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1ckk h GLY 33 CO 0.02 -0.23 0.13 -0.84 0.00 0.00 0.00 176.54 175.63 1ckk h THR 34 N 0.04 0.87 -0.40 4.70 2.02 -1.20 0.16 112.91 119.10 1ckk h THR 34 Ca 0.31 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 1ckk h THR 34 Cb 0.49 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1ckk h THR 34 CO -0.60 0.05 0.18 0.58 0.37 0.00 0.00 175.52 176.10 1ckk h VAL 35 N 0.29 1.18 -0.71 3.16 2.07 -0.72 -1.19 116.25 120.33 1ckk h VAL 35 Ca 0.19 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1ckk h VAL 35 Cb 0.18 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1ckk h VAL 35 CO -0.20 0.20 0.20 0.24 0.02 0.00 0.00 177.57 178.03 1ckk h MET 36 N 0.50 1.12 0.00 1.57 2.86 -0.51 -2.03 114.93 118.44 1ckk h MET 36 Ca 0.13 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1ckk h MET 36 Cb 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1ckk h MET 36 CO -0.01 0.97 0.00 -0.09 1.06 0.00 0.00 176.91 178.84 1ckk h ARG 37 N 1.07 0.00 -0.02 1.72 1.12 -0.45 -3.22 114.38 114.60 1ckk h ARG 37 Ca 0.23 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 59.00 1ckk h ARG 37 Cb 0.34 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.30 1ckk h ARG 37 CO -0.00 0.00 -0.37 1.03 -3.11 0.00 0.00 179.97 177.51 1ckk h SER 38 N 0.00 0.37 -1.04 -3.80 0.87 -0.46 -3.15 113.55 106.33 1ckk h SER 38 Ca 0.00 -0.73 0.30 0.00 -1.23 0.00 0.00 61.79 60.13 1ckk h SER 38 Cb 0.51 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 1ckk h SER 38 CO 0.00 1.05 0.94 -0.07 -0.53 0.00 0.00 176.83 178.22 1ckk h LEU 39 N -0.27 0.00 0.00 2.23 3.38 -1.54 -3.44 115.31 115.66 1ckk h LEU 39 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ckk h LEU 39 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ckk h LEU 39 CO 0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1ckk n GLY 40 N -1.70 1.77 3.14 0.83 0.00 -1.19 -4.94 105.19 103.10 1ckk n GLY 40 Ca 0.23 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.50 -3.71 1.61 7.27 -1.26 -5.03 117.38 113.76 1ckk n GLN 41 Ca 0.00 -1.59 -0.30 0.00 0.07 0.00 0.00 57.00 55.18 1ckk n GLN 41 Cb 0.00 -1.38 -0.14 0.00 2.41 0.00 0.00 30.24 31.13 1ckk n GLN 41 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1ckk s ASN 42 N -4.35 3.77 -0.24 1.69 2.47 -1.26 -4.41 114.94 112.60 1ckk s ASN 42 Ca 0.63 -2.22 -0.29 0.00 0.42 0.00 0.00 52.86 51.40 1ckk s ASN 42 Cb -0.05 -0.94 -0.01 0.00 -1.45 0.00 0.00 41.25 38.80 1ckk s ASN 42 CO 0.47 -0.33 1.42 -2.16 -3.72 0.00 0.00 177.10 172.79 1ckk s PRO 43 N 0.89 3.93 0.88 0.43 0.04 -1.26 -5.01 135.00 134.91 1ckk s PRO 43 Ca 0.15 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1ckk s PRO 43 Cb -0.22 -3.92 0.12 0.00 0.04 0.00 0.00 34.50 30.52 1ckk s PRO 43 CO -0.09 -1.11 1.09 0.99 0.04 0.00 0.00 177.00 177.93 1ckk s THR 44 N 4.51 2.70 0.20 1.26 2.01 -1.26 -4.86 115.64 120.21 1ckk s THR 44 Ca 0.62 0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.75 1ckk s THR 44 Cb -0.21 -2.74 0.14 0.00 0.01 0.00 0.00 72.50 69.70 1ckk s THR 44 CO 0.24 -0.30 1.84 -0.33 -0.69 0.00 0.00 174.62 175.38 1ckk h GLU 45 N -1.50 1.00 -0.92 4.92 5.08 -2.00 -2.35 114.58 118.81 1ckk h GLU 45 Ca -0.49 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 57.86 1ckk h GLU 45 Cb 1.28 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 30.25 1ckk h GLU 45 CO 0.55 0.72 0.57 0.00 -1.00 0.00 0.00 179.01 179.84 1ckk h ALA 46 N 1.22 1.31 -0.17 3.43 0.00 -2.01 -0.47 119.26 122.57 1ckk h ALA 46 Ca 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1ckk h ALA 46 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ckk h ALA 46 CO -0.05 0.25 -0.25 0.93 0.00 0.00 0.00 179.25 180.13 1ckk h GLU 47 N 0.97 0.31 0.22 0.00 4.39 -1.79 -2.26 114.58 116.42 1ckk h GLU 47 Ca 0.43 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 1ckk h GLU 47 Cb 0.31 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1ckk h GLU 47 CO -0.22 0.55 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.01 1ckk h LEU 48 N 0.28 -0.25 -0.63 1.33 3.38 -0.69 0.11 115.31 118.85 1ckk h LEU 48 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ckk h LEU 48 Cb 0.60 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1ckk h LEU 48 CO 0.04 -0.16 0.27 -0.61 0.09 0.00 0.00 178.44 178.07 1ckk h GLN 49 N -0.31 0.93 0.00 1.13 5.75 -1.39 -1.22 115.11 120.00 1ckk h GLN 49 Ca -0.03 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 1ckk h GLN 49 Cb 0.24 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1ckk h GLN 49 CO 0.05 0.77 0.00 0.22 -2.65 0.00 0.00 178.83 177.22 1ckk h ASP 50 N 0.87 0.00 0.12 -0.69 1.82 -1.17 -1.52 116.42 115.85 1ckk h ASP 50 Ca 0.21 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.55 1ckk h ASP 50 Cb 0.17 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1ckk h ASP 50 CO -0.02 0.00 -1.55 0.24 -1.61 0.00 0.00 179.24 176.30 1ckk h MET 51 N 0.00 0.25 0.00 0.28 2.86 0.36 -3.33 114.93 115.36 1ckk h MET 51 Ca 0.00 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1ckk h MET 51 Cb 0.34 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1ckk h MET 51 CO 0.00 1.21 -0.01 -0.89 1.06 0.00 0.00 176.91 178.27 1ckk n ILE 52 N -3.83 0.14 0.30 -1.22 -0.00 -0.73 -3.26 119.36 110.75 1ckk n ILE 52 Ca -0.27 -0.07 0.12 0.00 -0.00 0.00 0.00 62.75 62.54 1ckk n ILE 52 Cb 0.94 -0.50 0.17 0.00 -0.00 0.00 0.00 39.64 40.24 1ckk n ILE 52 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1ckk h ASN 53 N 0.00 0.00 0.52 4.38 2.35 -1.40 -2.65 115.58 118.78 1ckk h ASN 53 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1ckk h ASN 53 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1ckk h ASN 53 CO 0.00 0.01 -1.37 -1.84 -1.65 0.00 0.00 177.43 172.58 1ckk n GLU 54 N -2.75 0.56 -0.10 0.81 0.28 -1.20 -4.31 120.64 113.93 1ckk n GLU 54 Ca 0.03 -0.02 -0.11 0.00 -0.16 0.00 0.00 57.16 56.90 1ckk n GLU 54 Cb 0.51 -1.67 -0.15 0.00 1.43 0.00 0.00 31.44 31.56 1ckk n GLU 54 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1ckk n VAL 55 N -2.39 1.43 -1.49 3.84 0.31 -1.24 -4.84 118.33 113.95 1ckk n VAL 55 Ca -0.01 -0.81 -0.18 0.00 -0.01 0.00 0.00 64.34 63.33 1ckk n VAL 55 Cb 0.53 -0.66 -0.16 0.00 -0.91 0.00 0.00 33.84 32.64 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 -2.86 -0.34 0.01 4.52 2.03 -1.00 -4.72 116.55 114.19 1ckk n ASP 56 Ca -0.34 -0.97 -0.12 0.00 0.52 0.00 0.00 54.79 53.88 1ckk n ASP 56 Cb 1.13 -0.94 -0.08 0.00 -0.72 0.00 0.00 41.12 40.50 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 11.47 0.04 -0.01 -1.67 0.00 -1.91 -3.17 119.26 124.00 1ckk h ALA 57 Ca 0.02 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1ckk h ALA 57 Cb 1.08 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ckk h ALA 57 CO 1.37 -0.36 -0.97 0.38 0.00 0.00 0.00 179.25 179.67 1ckk h ASP 58 N -0.16 0.73 -0.36 0.00 2.03 -1.97 -3.48 116.42 113.22 1ckk h ASP 58 Ca 0.01 -0.58 0.00 0.00 -0.73 0.00 0.00 57.03 55.73 1ckk h ASP 58 Cb 0.21 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1ckk h ASP 58 CO -0.00 1.37 0.00 0.61 -1.03 0.00 0.00 179.24 180.19 1ckk n GLY 59 N 0.98 0.70 0.13 7.15 0.00 -1.20 -5.03 105.19 107.92 1ckk n GLY 59 Ca -0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 0.01 1.76 0.00 1.61 6.94 -1.26 -5.00 115.26 119.32 1ckk n ASN 60 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 1ckk n ASN 60 Cb 0.11 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 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 2.16 0.95 3.05 4.83 0.00 -1.26 -5.12 105.19 109.80 1ckk n GLY 61 Ca -0.42 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1ckk n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 62 N -1.24 0.54 0.20 2.61 -4.23 -1.26 -4.86 115.64 107.41 1ckk s THR 62 Ca 0.00 -0.96 -0.27 0.00 -1.18 0.00 0.00 61.69 59.27 1ckk s THR 62 Cb 0.00 -0.59 -0.08 0.00 1.34 0.00 0.00 72.50 73.17 1ckk s THR 62 CO 0.00 -0.30 0.85 -0.63 -0.54 0.00 0.00 174.62 174.00 1ckk s ILE 63 N -1.19 4.23 0.23 2.99 -1.09 -1.08 -4.75 121.20 120.54 1ckk s ILE 63 Ca -0.08 1.89 0.10 0.00 -2.23 0.00 0.00 60.65 60.32 1ckk s ILE 63 Cb -0.09 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1ckk s ILE 63 CO 0.00 0.51 -0.07 -1.81 -1.23 0.00 0.00 174.94 172.35 1ckk s ASP 64 N -1.17 4.30 0.19 3.58 1.11 -1.26 -1.28 116.67 122.14 1ckk s ASP 64 Ca 0.38 -0.66 -0.15 0.00 0.18 0.00 0.00 52.55 52.30 1ckk s ASP 64 Cb -0.24 -0.73 0.18 0.00 1.07 0.00 0.00 42.92 43.20 1ckk s ASP 64 CO 0.29 0.05 1.64 0.15 1.18 0.00 0.00 175.17 178.48 1ckk h PHE 65 N 2.36 -0.34 -0.17 4.23 3.57 -1.98 0.99 116.94 125.61 1ckk h PHE 65 Ca -0.45 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 1ckk h PHE 65 Cb 1.23 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.19 1ckk h PHE 65 CO 0.69 -0.25 -0.13 -1.00 -2.23 0.00 0.00 178.31 175.39 1ckk h PRO 66 N -0.02 0.26 -0.55 6.41 0.13 -1.97 -1.89 132.00 134.37 1ckk h PRO 66 Ca 0.26 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1ckk h PRO 66 Cb 0.42 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 1ckk h PRO 66 CO -0.57 0.40 0.37 1.49 -0.23 0.00 0.00 178.00 179.46 1ckk h GLU 67 N 0.25 0.72 0.01 0.86 4.81 -1.21 -2.77 114.58 117.25 1ckk h GLU 67 Ca 0.05 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1ckk h GLU 67 Cb 0.38 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1ckk h GLU 67 CO 0.02 0.48 -0.14 0.35 -0.73 0.00 0.00 179.01 178.99 1ckk h PHE 68 N 0.75 0.13 -0.92 0.92 3.57 -0.84 -0.23 116.94 120.31 1ckk h PHE 68 Ca 0.20 -0.07 0.26 0.00 3.53 0.00 0.00 57.97 61.89 1ckk h PHE 68 Cb -0.08 -0.01 -0.16 0.00 2.79 0.00 0.00 35.95 38.49 1ckk h PHE 68 CO -0.00 0.92 0.15 -0.07 -2.23 0.00 0.00 178.31 177.09 1ckk h LEU 69 N -0.70 -0.20 0.10 0.59 -0.00 -1.13 -1.34 115.31 112.63 1ckk h LEU 69 Ca -0.02 0.24 -0.34 0.00 -0.00 0.00 0.00 57.88 57.75 1ckk h LEU 69 Cb 0.97 0.36 -0.02 0.00 -0.00 0.00 0.00 40.66 41.97 1ckk h LEU 69 CO 0.03 -0.26 -1.87 0.74 -0.00 0.00 0.00 178.44 177.07 1ckk h THR 70 N 0.10 0.74 -1.07 0.22 2.02 -1.58 -3.37 112.91 109.98 1ckk h THR 70 Ca 0.58 -2.47 0.35 0.00 0.77 0.00 0.00 66.41 65.64 1ckk h THR 70 Cb 1.21 2.53 -0.14 0.00 -1.74 0.00 0.00 68.15 70.01 1ckk h THR 70 CO -0.77 0.80 0.63 -0.03 0.37 0.00 0.00 175.52 176.52 1ckk h MET 71 N 0.06 0.24 0.00 6.66 1.85 0.12 2.09 114.93 125.95 1ckk h MET 71 Ca -0.37 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.70 1ckk h MET 71 Cb 2.04 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 34.01 1ckk h MET 71 CO 0.10 0.16 0.00 -0.12 -0.40 0.00 0.00 176.91 176.65 1ckk n MET 72 N -4.97 0.02 -0.00 0.39 0.00 -1.00 -2.70 117.12 108.86 1ckk n MET 72 Ca 0.33 0.13 0.09 0.00 0.00 0.00 0.00 57.70 58.25 1ckk n MET 72 Cb 1.10 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 32.70 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 -1.49 4.43 -0.14 -5.12 0.00 0.70 -4.44 120.51 114.45 1ckk n ALA 73 Ca 0.05 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 1ckk n ALA 73 Cb 0.24 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 1ckk n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ckk n ARG 74 N -1.53 0.59 -0.36 0.00 5.12 -0.83 -4.40 116.66 115.25 1ckk n ARG 74 Ca 0.03 0.27 0.27 0.00 -1.93 0.00 0.00 57.85 56.49 1ckk n ARG 74 Cb 0.33 -1.50 0.54 0.00 -1.16 0.00 0.00 32.46 30.66 1ckk n ARG 74 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1ckk h LYS 75 N -0.96 0.30 -2.40 5.56 1.79 -1.75 -1.45 116.57 117.64 1ckk h LYS 75 Ca -0.69 -0.02 -0.74 0.00 -2.18 0.00 0.00 60.65 57.02 1ckk h LYS 75 Cb 1.62 -0.07 -0.19 0.00 -1.58 0.00 0.00 32.23 32.02 1ckk h LYS 75 CO -0.41 0.20 1.70 -1.33 -1.08 0.00 0.00 179.45 178.53 1ckk n MET 76 N -4.71 4.60 -2.99 3.15 2.81 -1.26 -2.90 117.12 115.81 1ckk n MET 76 Ca 0.30 -3.77 -0.10 0.00 -1.81 0.00 0.00 57.70 52.32 1ckk n MET 76 Cb 1.04 -2.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 1ckk n MET 76 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1ckk s LYS 77 N -2.43 0.98 -0.74 0.03 2.20 -0.55 -4.96 119.74 114.27 1ckk s LYS 77 Ca 0.49 -1.20 -0.02 0.00 -0.36 0.00 0.00 55.97 54.89 1ckk s LYS 77 Cb 0.22 -0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.13 1ckk s LYS 77 CO -0.14 -1.32 0.63 -3.47 -0.36 0.00 0.00 175.35 170.70 1ckk n ASP 78 N 3.18 -3.29 0.02 1.43 2.03 -1.26 -4.88 116.55 113.78 1ckk n ASP 78 Ca 0.19 -0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.07 1ckk n ASP 78 Cb 0.53 -3.55 0.00 0.00 -0.72 0.00 0.00 41.12 37.39 1ckk n ASP 78 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1ckk n THR 79 N -2.87 0.00 -3.76 5.18 -1.04 -1.26 -5.08 114.28 105.45 1ckk n THR 79 Ca -0.13 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.58 1ckk n THR 79 Cb 0.60 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.97 1ckk n THR 79 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1ckk s ASP 80 N -1.13 3.89 -0.22 8.00 1.11 -1.14 -4.96 116.67 122.22 1ckk s ASP 80 Ca 0.00 -2.32 -0.15 0.00 0.18 0.00 0.00 52.55 50.26 1ckk s ASP 80 Cb 0.00 -1.07 -0.09 0.00 1.07 0.00 0.00 42.92 42.83 1ckk s ASP 80 CO 0.00 -0.32 -0.34 -0.24 1.18 0.00 0.00 175.17 175.45 1ckk n SER 81 N 3.96 1.91 -0.02 0.27 2.88 -1.26 -4.52 113.62 116.84 1ckk n SER 81 Ca 0.05 0.33 0.10 0.00 -1.33 0.00 0.00 58.87 58.01 1ckk n SER 81 Cb 0.37 -0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 62.96 1ckk n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ckk n GLU 82 N -4.31 0.24 0.16 -1.46 4.71 -1.26 -4.23 120.64 114.49 1ckk n GLU 82 Ca -0.34 -0.03 0.13 0.00 -0.01 0.00 0.00 57.16 56.90 1ckk n GLU 82 Cb 0.70 -1.47 0.31 0.00 -1.01 0.00 0.00 31.44 29.97 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 0.08 0.00 0.00 3.49 4.81 -1.93 -3.15 114.58 117.88 1ckk h GLU 83 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1ckk h GLU 83 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1ckk h GLU 83 CO 0.00 0.00 -0.39 0.93 -0.73 0.00 0.00 179.01 178.82 1ckk h GLU 84 N 0.00 0.00 0.12 1.92 5.08 -1.80 -3.27 114.58 116.63 1ckk h GLU 84 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1ckk h GLU 84 Cb 0.84 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.11 1ckk h GLU 84 CO 0.00 0.25 -0.82 0.82 -1.00 0.00 0.00 179.01 178.27 1ckk h ILE 85 N 0.00 1.48 -0.72 3.13 2.04 -1.78 -2.87 117.51 118.78 1ckk h ILE 85 Ca -0.01 -2.45 0.12 0.00 1.00 0.00 0.00 64.86 63.51 1ckk h ILE 85 Cb 1.22 3.06 -0.05 0.00 -0.74 0.00 0.00 36.82 40.31 1ckk h ILE 85 CO 0.03 0.70 0.48 -0.09 0.00 0.00 0.00 178.15 179.27 1ckk h ARG 86 N -0.27 0.51 -0.07 2.37 2.43 -1.65 0.20 114.38 117.89 1ckk h ARG 86 Ca -0.14 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1ckk h ARG 86 Cb 1.61 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 1ckk h ARG 86 CO 0.15 0.34 -0.13 0.93 -1.51 0.00 0.00 179.97 179.75 1ckk h GLU 87 N 0.53 0.22 0.00 0.20 5.08 -1.61 -2.55 114.58 116.44 1ckk h GLU 87 Ca 0.34 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1ckk h GLU 87 Cb 0.62 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1ckk h GLU 87 CO -0.12 0.71 -0.22 0.00 -1.00 0.00 0.00 179.01 178.39 1ckk h ALA 88 N 0.50 1.54 -0.47 3.43 0.00 -1.07 -2.18 119.26 121.02 1ckk h ALA 88 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1ckk h ALA 88 Cb 0.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ckk h ALA 88 CO 0.03 0.28 -0.21 0.35 0.00 0.00 0.00 179.25 179.70 1ckk h PHE 89 N 0.00 1.09 -0.43 0.00 3.57 -0.56 -2.69 116.94 117.92 1ckk h PHE 89 Ca -0.00 -0.26 -0.11 0.00 3.53 0.00 0.00 57.97 61.13 1ckk h PHE 89 Cb 0.42 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1ckk h PHE 89 CO 0.00 1.06 -0.18 -0.09 -2.23 0.00 0.00 178.31 176.87 1ckk h ARG 90 N 0.83 0.83 -0.58 1.11 2.43 -1.00 -2.42 114.38 115.58 1ckk h ARG 90 Ca 0.11 -0.32 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1ckk h ARG 90 Cb 0.77 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1ckk h ARG 90 CO 0.06 0.94 0.35 0.28 -1.51 0.00 0.00 179.97 180.09 1ckk h VAL 91 N 0.73 1.05 -0.03 0.20 2.07 -1.20 -1.19 116.25 117.89 1ckk h VAL 91 Ca 0.11 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1ckk h VAL 91 Cb 0.70 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1ckk h VAL 91 CO 0.05 0.12 -0.31 -0.26 0.02 0.00 0.00 177.57 177.20 1ckk h PHE 92 N 0.68 0.07 -1.26 1.57 0.04 -1.30 -3.17 116.94 113.57 1ckk h PHE 92 Ca 0.23 -0.01 -0.72 0.00 2.80 0.00 0.00 57.97 60.28 1ckk h PHE 92 Cb 0.04 -0.02 -0.15 0.00 2.20 0.00 0.00 35.95 38.02 1ckk h PHE 92 CO -0.06 0.37 1.98 -3.47 -0.60 0.00 0.00 178.31 176.52 1ckk n ASP 93 N -4.16 7.76 -0.50 2.17 2.03 -0.45 -4.70 116.55 118.71 1ckk n ASP 93 Ca -0.02 -3.22 0.41 0.00 0.52 0.00 0.00 54.79 52.49 1ckk n ASP 93 Cb 0.37 -1.32 0.73 0.00 -0.72 0.00 0.00 41.12 40.18 1ckk n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ckk h LYS 94 N 4.31 0.05 0.09 -0.67 1.79 -1.61 0.90 116.57 121.44 1ckk h LYS 94 Ca 0.64 -0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.83 1ckk h LYS 94 Cb 0.36 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1ckk h LYS 94 CO 1.36 0.04 -1.41 0.38 -1.08 0.00 0.00 179.45 178.73 1ckk h ASP 95 N 0.05 0.29 -1.16 0.86 3.04 -1.88 -3.49 116.42 114.14 1ckk h ASP 95 Ca 0.78 -0.39 0.00 0.00 -3.24 0.00 0.00 57.03 54.19 1ckk h ASP 95 Cb 2.85 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 41.05 1ckk h ASP 95 CO -0.16 1.32 0.00 0.61 -2.04 0.00 0.00 179.24 178.97 1ckk n GLY 96 N 1.58 0.84 0.01 7.15 0.00 0.31 -4.97 105.19 110.11 1ckk n GLY 96 Ca -0.12 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 0.83 0.24 0.00 1.61 0.23 -1.26 -4.97 115.26 111.94 1ckk n ASN 97 Ca 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 54.58 53.82 1ckk n ASN 97 Cb 0.47 1.77 0.00 0.00 -2.08 0.00 0.00 39.78 39.93 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 1.32 1.82 3.46 4.83 0.00 -1.26 -5.10 105.19 110.26 1ckk n GLY 98 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.57 -0.25 1.61 2.02 -1.26 -4.40 117.35 112.51 1ckk s TYR 99 Ca 0.00 1.13 0.02 0.00 -0.37 0.00 0.00 57.07 57.85 1ckk s TYR 99 Cb 0.00 0.29 0.05 0.00 -0.40 0.00 0.00 41.96 41.90 1ckk s TYR 99 CO 0.00 -0.47 -0.12 0.42 -1.57 0.00 0.00 175.55 173.81 1ckk s ILE 100 N -0.71 2.19 0.12 2.71 1.01 -0.69 -4.72 121.20 121.12 1ckk s ILE 100 Ca -0.08 -1.49 -0.05 0.00 0.00 0.00 0.00 60.65 59.03 1ckk s ILE 100 Cb -0.02 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 1ckk s ILE 100 CO 0.06 0.08 0.36 -0.55 0.00 0.00 0.00 174.94 174.88 1ckk s SER 101 N 1.14 6.49 0.51 3.58 0.15 -1.26 -1.30 113.70 123.02 1ckk s SER 101 Ca -0.06 0.58 0.40 0.00 0.70 0.00 0.00 55.95 57.57 1ckk s SER 101 Cb -0.19 -2.09 1.58 0.00 -1.71 0.00 0.00 66.02 63.61 1ckk s SER 101 CO -0.06 0.09 1.66 0.00 1.20 0.00 0.00 173.24 176.12 1ckk h ALA 102 N 3.00 3.29 0.14 5.45 0.00 -1.94 0.42 119.26 129.61 1ckk h ALA 102 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1ckk h ALA 102 Cb 1.17 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ckk h ALA 102 CO 0.72 -1.80 -0.07 0.00 0.00 0.00 0.00 179.25 178.10 1ckk h ALA 103 N 1.31 -0.18 -0.97 0.00 0.00 -1.94 -2.47 119.26 115.00 1ckk h ALA 103 Ca 0.79 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.74 1ckk h ALA 103 Cb 2.94 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 20.72 1ckk h ALA 103 CO -0.14 -0.51 0.61 0.93 0.00 0.00 0.00 179.25 180.14 1ckk h GLU 104 N -0.36 0.79 -0.55 0.00 5.08 -0.49 -0.06 114.58 118.99 1ckk h GLU 104 Ca -0.02 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ckk h GLU 104 Cb 0.29 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1ckk h GLU 104 CO 0.03 0.52 0.36 -0.07 -1.00 0.00 0.00 179.01 178.86 1ckk h LEU 105 N 0.82 0.62 -2.07 1.33 3.38 -1.14 0.02 115.31 118.27 1ckk h LEU 105 Ca 0.50 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.46 1ckk h LEU 105 Cb 0.71 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ckk h LEU 105 CO -0.27 0.45 -0.02 -0.09 0.09 0.00 0.00 178.44 178.59 1ckk h ARG 106 N 0.74 0.00 0.06 1.13 9.65 -0.59 -0.35 114.38 125.02 1ckk h ARG 106 Ca 0.20 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.83 1ckk h ARG 106 Cb -0.07 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1ckk h ARG 106 CO -0.05 0.02 -1.24 1.25 2.80 0.00 0.00 179.97 182.75 1ckk h HIS 107 N 0.00 0.23 0.09 2.20 2.76 -0.25 -1.67 115.15 118.52 1ckk h HIS 107 Ca -0.00 -0.17 -0.28 0.00 -2.20 0.00 0.00 60.37 57.72 1ckk h HIS 107 Cb 0.31 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1ckk h HIS 107 CO 0.00 1.16 -1.40 -0.24 -1.30 0.00 0.00 177.93 176.15 1ckk h VAL 108 N 0.04 1.29 0.13 5.26 3.04 -0.57 -2.79 116.25 122.65 1ckk h VAL 108 Ca -0.12 -2.95 -0.28 0.00 -1.01 0.00 0.00 66.70 62.35 1ckk h VAL 108 Cb 1.90 2.79 0.01 0.00 -2.01 0.00 0.00 31.29 33.98 1ckk h VAL 108 CO 0.15 0.83 -1.24 0.00 -1.01 0.00 0.00 177.57 176.31 1ckk h MET 109 N 0.05 0.34 -0.02 4.17 3.00 -1.19 -0.28 114.93 121.00 1ckk h MET 109 Ca -0.18 -0.54 -0.10 0.00 0.00 0.00 0.00 59.70 58.88 1ckk h MET 109 Cb 1.97 0.19 -0.01 0.00 0.00 0.00 0.00 31.60 33.75 1ckk h MET 109 CO 0.16 1.24 -0.44 1.15 0.00 0.00 0.00 176.91 179.02 1ckk h THR 110 N 0.11 1.32 0.00 -0.10 2.02 -1.13 0.35 112.91 115.48 1ckk h THR 110 Ca -0.15 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1ckk h THR 110 Cb 1.95 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1ckk h THR 110 CO 0.21 0.44 -0.58 0.78 0.37 0.00 0.00 175.52 176.75 1ckk h ASN 111 N 0.04 0.00 0.64 4.18 2.35 -1.47 -3.31 115.58 118.01 1ckk h ASN 111 Ca 0.00 -0.01 -0.27 0.00 -0.55 0.00 0.00 56.30 55.47 1ckk h ASN 111 Cb 0.80 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 1ckk h ASN 111 CO 0.06 0.01 -1.41 -0.07 -1.65 0.00 0.00 177.43 174.37 1ckk h LEU 112 N 0.00 0.16 0.00 1.61 3.38 -0.44 -3.40 115.31 116.62 1ckk h LEU 112 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ckk h LEU 112 Cb 0.98 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1ckk h LEU 112 CO 0.00 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.33 1ckk n GLY 113 N 1.53 4.68 3.93 0.83 0.00 0.06 -4.96 105.19 111.26 1ckk n GLY 113 Ca -0.11 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 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 3.53 -0.45 1.61 2.12 -0.90 -4.91 118.70 119.70 1ckk s GLU 114 Ca 0.00 -0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.15 1ckk s GLU 114 Cb 0.00 -2.69 0.22 0.00 0.26 0.00 0.00 34.13 31.93 1ckk s GLU 114 CO 0.00 0.21 0.51 0.36 -0.54 0.00 0.00 175.26 175.80 1ckk n LYS 115 N -1.36 0.91 -1.24 4.30 2.85 -1.26 -2.82 118.16 119.54 1ckk n LYS 115 Ca -0.04 -3.50 -0.40 0.00 -1.05 0.00 0.00 58.31 53.32 1ckk n LYS 115 Cb 0.55 -1.55 -0.01 0.00 -0.65 0.00 0.00 35.03 33.38 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 1.73 -2.42 0.00 -5.58 4.32 -1.26 -4.92 117.00 108.87 1ckk n LEU 116 Ca 0.24 0.82 0.00 0.00 -0.02 0.00 0.00 56.01 57.05 1ckk n LEU 116 Cb 0.49 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 1ckk n LEU 116 CO 0.19 -3.74 0.00 0.41 -1.22 0.00 0.00 177.39 173.03 1ckk n THR 117 N -0.78 0.00 -0.13 -5.08 -1.04 -1.26 -4.73 114.28 101.26 1ckk n THR 117 Ca 0.12 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.86 1ckk n THR 117 Cb 0.35 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.75 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 1.95 0.07 8.00 5.75 -1.26 -3.55 116.55 127.51 1ckk n ASP 118 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1ckk n ASP 118 Cb 0.00 -0.81 0.32 0.00 -1.03 0.00 0.00 41.12 39.59 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1ckk h GLU 119 N -0.88 0.34 -0.17 0.11 4.22 -1.99 -0.52 114.58 115.70 1ckk h GLU 119 Ca -0.62 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 58.70 1ckk h GLU 119 Cb 1.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1ckk h GLU 119 CO -0.34 0.50 0.00 1.49 -2.18 0.00 0.00 179.01 178.48 1ckk h GLU 120 N 0.32 0.30 -0.54 1.92 4.81 -1.93 -1.28 114.58 118.18 1ckk h GLU 120 Ca 0.06 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1ckk h GLU 120 Cb 0.47 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1ckk h GLU 120 CO 0.03 0.51 0.10 0.28 -0.73 0.00 0.00 179.01 179.20 1ckk h VAL 121 N 0.05 1.25 0.42 0.32 2.07 -1.53 -2.30 116.25 116.54 1ckk h VAL 121 Ca 0.05 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1ckk h VAL 121 Cb 0.38 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ckk h VAL 121 CO 0.01 0.34 -0.20 0.44 0.02 0.00 0.00 177.57 178.17 1ckk h ASP 122 N 0.78 -0.48 -1.55 0.57 5.19 -1.02 -2.36 116.42 117.56 1ckk h ASP 122 Ca 0.17 0.02 0.45 0.00 -0.62 0.00 0.00 57.03 57.04 1ckk h ASP 122 Cb 0.39 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 39.96 1ckk h ASP 122 CO 0.01 -0.31 1.11 -0.33 -3.12 0.00 0.00 179.24 176.60 1ckk h GLU 123 N -0.64 0.01 0.72 3.56 4.39 -1.29 0.41 114.58 121.74 1ckk h GLU 123 Ca -0.06 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1ckk h GLU 123 Cb 0.43 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1ckk h GLU 123 CO 0.10 0.00 -0.35 1.98 -1.16 0.00 0.00 179.01 179.58 1ckk h MET 124 N 0.01 -0.93 -0.92 2.33 4.05 -0.90 0.20 114.93 118.77 1ckk h MET 124 Ca 0.74 0.06 0.02 0.00 -0.28 0.00 0.00 59.70 60.24 1ckk h MET 124 Cb 2.95 0.21 -0.05 0.00 -0.80 0.00 0.00 31.60 33.92 1ckk h MET 124 CO -0.02 -0.62 0.60 0.82 0.23 0.00 0.00 176.91 177.93 1ckk h ILE 125 N -1.09 1.21 0.33 1.77 1.08 -0.59 -2.80 117.51 117.42 1ckk h ILE 125 Ca -0.10 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 1ckk h ILE 125 Cb 0.74 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1ckk h ILE 125 CO 0.16 0.22 -0.16 0.03 -0.69 0.00 0.00 178.15 177.72 1ckk h ARG 126 N 1.21 -0.42 -1.49 2.37 3.08 -1.07 0.88 114.38 118.94 1ckk h ARG 126 Ca 0.35 0.03 0.45 0.00 0.07 0.00 0.00 59.98 60.87 1ckk h ARG 126 Cb -0.09 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 1ckk h ARG 126 CO -0.09 -0.28 1.03 1.49 -1.07 0.00 0.00 179.97 181.06 1ckk h GLU 127 N -0.44 0.06 0.00 0.04 4.22 -0.67 0.39 114.58 118.18 1ckk h GLU 127 Ca -0.04 -0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.14 1ckk h GLU 127 Cb 0.34 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1ckk h GLU 127 CO 0.07 0.04 -2.27 0.00 -2.18 0.00 0.00 179.01 174.68 1ckk n ALA 128 N -2.71 1.90 -0.96 2.92 0.00 -0.79 -4.62 120.51 116.24 1ckk n ALA 128 Ca 0.36 -1.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.40 1ckk n ALA 128 Cb 1.55 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 20.61 1ckk n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckk n ASP 129 N -2.60 3.93 0.12 0.00 9.92 0.30 -4.59 116.55 123.63 1ckk n ASP 129 Ca -0.24 -2.50 0.03 0.00 -0.53 0.00 0.00 54.79 51.55 1ckk n ASP 129 Cb 0.98 -1.14 0.43 0.00 -0.64 0.00 0.00 41.12 40.75 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1ckk h ILE 130 N 3.89 1.14 0.00 0.53 2.04 -1.82 -2.23 117.51 121.06 1ckk h ILE 130 Ca 0.47 -0.60 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 1ckk h ILE 130 Cb 0.40 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1ckk h ILE 130 CO 1.69 0.19 -0.75 -2.24 0.00 0.00 0.00 178.15 177.04 1ckk h ASP 131 N 0.24 0.00 -3.26 1.72 2.03 -1.94 -3.48 116.42 111.72 1ckk h ASP 131 Ca 0.05 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.34 1ckk h ASP 131 Cb 0.26 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.78 1ckk h ASP 131 CO 0.01 0.75 -0.05 0.61 -1.03 0.00 0.00 179.24 179.53 1ckk n GLY 132 N 0.90 0.18 0.01 7.15 0.00 -0.84 -5.01 105.19 107.58 1ckk n GLY 132 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.40 3.61 0.00 1.61 5.75 -1.26 -5.00 116.55 119.85 1ckk n ASP 133 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ckk n ASP 133 Cb 0.51 1.09 0.00 0.00 -1.03 0.00 0.00 41.12 41.68 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 134 N 2.30 1.07 3.52 6.12 0.00 -1.26 -5.08 105.19 111.87 1ckk n GLY 134 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 1.39 0.58 1.61 -2.07 -1.26 -4.28 119.66 115.40 1ckk s GLN 135 Ca 0.00 -0.69 -0.01 0.00 -1.82 0.00 0.00 55.36 52.83 1ckk s GLN 135 Cb 0.00 0.57 0.03 0.00 -1.09 0.00 0.00 33.01 32.52 1ckk s GLN 135 CO 0.00 -0.61 0.83 0.08 -1.32 0.00 0.00 175.29 174.27 1ckk s VAL 136 N -3.82 2.86 0.37 3.63 1.01 -0.42 -4.74 120.40 119.29 1ckk s VAL 136 Ca 0.05 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1ckk s VAL 136 Cb -0.02 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1ckk s VAL 136 CO -0.06 -0.09 0.16 0.21 0.00 0.00 0.00 175.10 175.32 1ckk s ASN 137 N -4.41 2.31 0.00 3.32 3.04 -1.26 -1.70 114.94 116.25 1ckk s ASN 137 Ca 0.56 -1.66 -0.01 0.00 0.04 0.00 0.00 52.86 51.80 1ckk s ASN 137 Cb -0.10 0.48 -0.00 0.00 -1.54 0.00 0.00 41.25 40.08 1ckk s ASN 137 CO 0.40 -0.94 1.01 0.22 -3.04 0.00 0.00 177.10 174.75 1ckk h TYR 138 N 1.95 -0.02 -1.06 0.43 5.03 -2.00 0.30 116.97 121.59 1ckk h TYR 138 Ca -0.33 0.00 0.36 0.00 2.58 0.00 0.00 58.73 61.34 1ckk h TYR 138 Cb 1.26 0.01 -0.15 0.00 1.55 0.00 0.00 36.73 39.40 1ckk h TYR 138 CO 1.43 -0.01 0.62 1.05 -1.32 0.00 0.00 178.16 179.93 1ckk h GLU 139 N -0.02 0.20 0.67 1.82 4.11 -1.98 -0.92 114.58 118.46 1ckk h GLU 139 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 1ckk h GLU 139 Cb 0.02 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ckk h GLU 139 CO -0.00 0.13 -0.32 0.93 0.07 0.00 0.00 179.01 179.82 1ckk h GLU 140 N 0.21 -0.87 -0.29 1.06 5.08 -1.86 0.92 114.58 118.83 1ckk h GLU 140 Ca 0.77 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 59.27 1ckk h GLU 140 Cb 1.97 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 1ckk h GLU 140 CO -0.59 -0.58 0.71 0.35 -1.00 0.00 0.00 179.01 177.90 1ckk h PHE 141 N -1.22 0.00 0.00 4.33 3.04 0.41 -0.92 116.94 122.58 1ckk h PHE 141 Ca -0.09 0.00 -0.42 0.00 3.98 0.00 0.00 57.97 61.44 1ckk h PHE 141 Cb 0.69 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.13 1ckk h PHE 141 CO 0.00 0.00 -2.49 0.28 -2.02 0.00 0.00 178.31 174.08 1ckk n VAL 142 N -3.02 1.48 0.28 1.41 0.31 -0.82 -3.30 118.33 114.67 1ckk n VAL 142 Ca 0.05 -0.49 0.15 0.00 -0.01 0.00 0.00 64.34 64.05 1ckk n VAL 142 Cb 0.83 -1.59 0.83 0.00 -0.91 0.00 0.00 33.84 32.99 1ckk n VAL 142 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ckk h GLN 143 N -0.39 0.00 0.00 5.55 5.75 0.23 -0.05 115.11 126.19 1ckk h GLN 143 Ca -0.62 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.88 1ckk h GLN 143 Cb 1.78 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.33 1ckk h GLN 143 CO -0.22 0.00 -0.39 -1.33 -2.65 0.00 0.00 178.83 174.24 1ckk n MET 144 N -2.69 4.34 0.00 1.69 2.81 -0.87 -4.45 117.12 117.94 1ckk n MET 144 Ca -0.02 -0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.97 1ckk n MET 144 Cb 0.21 -0.88 -0.04 0.00 -0.71 0.00 0.00 33.22 31.80 1ckk n MET 144 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1ckk n MET 145 N -1.19 0.09 -0.09 0.03 0.00 -0.16 -4.37 117.12 111.43 1ckk n MET 145 Ca 0.01 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.70 57.51 1ckk n MET 145 Cb 0.12 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.78 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 -1.39 1.48 -1.86 1.12 -2.24 -0.48 -4.43 114.28 106.48 1ckk n THR 146 Ca 0.05 0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.54 1ckk n THR 146 Cb 0.34 -2.22 -0.02 0.00 -2.10 0.00 0.00 70.33 66.34 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 -3.61 6.73 -0.61 6.98 0.00 -1.26 -5.15 120.51 123.59 1ckk n ALA 147 Ca -0.21 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.43 1ckk n ALA 147 Cb 0.49 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.32 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67