#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 -0.03 0.00 8.00 -1.26 -5.14 116.55 118.12 1ckk n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ckk n ASP 2 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1ckk n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ckk n GLN 3 N -1.84 3.41 -0.47 -1.24 6.02 -1.26 -5.10 117.38 116.90 1ckk n GLN 3 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1ckk n GLN 3 Cb 0.00 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.38 1ckk n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ckk n LEU 4 N 0.00 0.00 0.00 1.08 4.77 -1.26 -5.00 117.00 116.59 1ckk n LEU 4 Ca 0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1ckk n LEU 4 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1ckk n LEU 4 CO 0.00 -1.58 0.06 1.07 -1.33 0.00 0.00 177.39 175.61 1ckk n THR 5 N -3.65 0.00 0.01 -5.08 5.66 -1.26 -4.71 114.28 105.26 1ckk n THR 5 Ca 0.07 -0.27 0.07 0.00 -3.05 0.00 0.00 64.05 60.87 1ckk n THR 5 Cb 0.28 1.21 -0.11 0.00 -1.55 0.00 0.00 70.33 70.15 1ckk n THR 5 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ckk n GLU 6 N -0.30 0.64 -0.17 1.09 2.13 -1.26 -4.49 120.64 118.29 1ckk n GLU 6 Ca 0.00 -0.03 -0.08 0.00 0.66 0.00 0.00 57.16 57.71 1ckk n GLU 6 Cb 0.05 -1.64 -0.06 0.00 0.27 0.00 0.00 31.44 30.06 1ckk n GLU 6 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ckk h GLU 7 N 0.00 -0.11 -0.11 5.31 4.81 -1.98 1.49 114.58 123.99 1ckk h GLU 7 Ca -0.10 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1ckk h GLU 7 Cb 1.25 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1ckk h GLU 7 CO 0.01 -0.08 -0.19 1.96 -0.73 0.00 0.00 179.01 179.99 1ckk h GLN 8 N -0.12 -0.15 -0.75 1.92 4.20 -1.93 0.14 115.11 118.42 1ckk h GLN 8 Ca 0.07 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.95 1ckk h GLN 8 Cb 0.30 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.01 1ckk h GLN 8 CO -0.47 -0.10 0.25 0.82 -0.67 0.00 0.00 178.83 178.66 1ckk h ILE 9 N -0.16 0.57 -0.62 2.54 2.04 -1.65 0.45 117.51 120.69 1ckk h ILE 9 Ca 0.02 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.86 1ckk h ILE 9 Cb 0.21 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 1ckk h ILE 9 CO -0.18 0.06 0.22 0.00 0.00 0.00 0.00 178.15 178.25 1ckk h ALA 10 N 1.59 0.80 -0.19 1.87 0.00 0.36 -1.57 119.26 122.13 1ckk h ALA 10 Ca 0.43 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.48 1ckk h ALA 10 Cb 0.70 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1ckk h ALA 10 CO -0.46 -0.21 -0.11 1.49 0.00 0.00 0.00 179.25 179.95 1ckk h GLU 11 N 0.39 -0.10 -0.69 0.00 4.22 0.15 -1.13 114.58 117.43 1ckk h GLU 11 Ca 0.32 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.88 1ckk h GLU 11 Cb 0.42 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 1ckk h GLU 11 CO -0.33 -0.06 0.28 0.74 -2.18 0.00 0.00 179.01 177.45 1ckk h PHE 12 N -0.10 0.49 -0.28 0.92 -1.00 -1.01 0.58 116.94 116.53 1ckk h PHE 12 Ca 0.11 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.99 1ckk h PHE 12 Cb 0.26 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 1ckk h PHE 12 CO -0.26 0.11 0.20 -0.22 -1.61 0.00 0.00 178.31 176.52 1ckk h LYS 13 N 0.46 0.07 0.83 1.51 3.64 -0.49 -2.19 116.57 120.40 1ckk h LYS 13 Ca 0.36 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1ckk h LYS 13 Cb 0.47 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1ckk h LYS 13 CO -0.34 0.04 -0.41 1.49 -2.27 0.00 0.00 179.45 177.96 1ckk h GLU 14 N 0.07 -1.09 -0.63 1.90 4.22 0.11 1.32 114.58 120.49 1ckk h GLU 14 Ca 0.13 0.07 0.13 0.00 0.08 0.00 0.00 59.36 59.78 1ckk h GLU 14 Cb 0.43 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 29.82 1ckk h GLU 14 CO -0.01 -0.72 -0.02 0.00 -2.18 0.00 0.00 179.01 176.07 1ckk h ALA 15 N -0.95 0.59 -0.34 2.92 0.00 -1.15 0.75 119.26 121.09 1ckk h ALA 15 Ca -0.11 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1ckk h ALA 15 Cb 0.87 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1ckk h ALA 15 CO 0.18 -0.40 -0.16 0.35 0.00 0.00 0.00 179.25 179.22 1ckk h PHE 16 N 0.10 0.67 -0.02 0.00 3.57 -1.14 -2.28 116.94 117.84 1ckk h PHE 16 Ca 0.33 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 1ckk h PHE 16 Cb 0.53 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1ckk h PHE 16 CO -0.39 0.73 -0.41 0.77 -2.23 0.00 0.00 178.31 176.78 1ckk h SER 17 N 0.55 0.03 -0.27 0.41 0.02 0.59 -0.75 113.55 114.13 1ckk h SER 17 Ca 0.09 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1ckk h SER 17 Cb 0.59 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1ckk h SER 17 CO 0.04 0.44 0.04 0.25 -1.14 0.00 0.00 176.83 176.46 1ckk h LEU 18 N 0.03 0.43 -0.21 5.07 6.46 0.87 -3.14 115.31 124.82 1ckk h LEU 18 Ca -0.00 -0.27 -0.22 0.00 -0.12 0.00 0.00 57.88 57.28 1ckk h LEU 18 Cb 0.74 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1ckk h LEU 18 CO 0.05 0.59 -0.76 -0.26 -0.62 0.00 0.00 178.44 177.45 1ckk h PHE 19 N 0.25 1.00 -0.89 1.25 0.04 -1.34 -3.37 116.94 113.88 1ckk h PHE 19 Ca 0.08 -0.43 -0.62 0.00 2.80 0.00 0.00 57.97 59.80 1ckk h PHE 19 Cb 0.35 -0.16 -0.08 0.00 2.20 0.00 0.00 35.95 38.26 1ckk h PHE 19 CO 0.02 1.26 1.89 0.34 -0.60 0.00 0.00 178.31 181.22 1ckk s ASP 20 N -7.08 6.56 0.00 2.17 -1.08 -0.30 -4.68 116.67 112.25 1ckk s ASP 20 Ca -0.10 -2.07 0.00 0.00 -0.52 0.00 0.00 52.55 49.86 1ckk s ASP 20 Cb 0.09 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1ckk s ASP 20 CO 0.89 -1.46 0.76 0.29 0.52 0.00 0.00 175.17 176.18 1ckk n LYS 21 N 8.53 0.00 -0.33 4.34 4.76 -1.26 -1.97 118.16 132.23 1ckk n LYS 21 Ca 0.44 0.53 0.13 0.00 -2.87 0.00 0.00 58.31 56.54 1ckk n LYS 21 Cb 0.47 -1.26 0.35 0.00 -1.84 0.00 0.00 35.03 32.76 1ckk n LYS 21 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1ckk h ASP 22 N 0.00 0.73 0.00 4.39 2.03 -1.93 -3.45 116.42 118.19 1ckk h ASP 22 Ca 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1ckk h ASP 22 Cb 0.00 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 1ckk h ASP 22 CO 0.00 0.28 0.00 0.61 -1.03 0.00 0.00 179.24 179.10 1ckk n GLY 23 N -1.37 1.25 0.06 7.15 0.00 -0.83 -4.96 105.19 106.49 1ckk n GLY 23 Ca 0.22 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.59 0.43 -0.30 1.61 5.75 -1.26 -4.89 116.55 118.47 1ckk n ASP 24 Ca 0.00 0.56 0.00 0.00 -0.01 0.00 0.00 54.79 55.34 1ckk n ASP 24 Cb 0.09 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 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 0.93 0.87 3.49 6.12 0.00 -1.26 -5.08 105.19 110.26 1ckk n GLY 25 Ca 0.05 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.40 -0.93 -0.30 2.61 -4.23 -1.24 -4.59 115.64 104.56 1ckk s THR 26 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1ckk s THR 26 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 1ckk s THR 26 CO 0.00 0.00 0.21 -0.63 -0.54 0.00 0.00 174.62 173.66 1ckk s ILE 27 N 2.84 5.29 0.22 2.99 1.01 -0.98 -4.76 121.20 127.82 1ckk s ILE 27 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 1ckk s ILE 27 Cb -0.12 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1ckk s ILE 27 CO -0.19 0.15 0.45 0.42 0.00 0.00 0.00 174.94 175.77 1ckk s THR 28 N 1.74 5.13 0.61 2.92 -4.23 -1.26 -1.40 115.64 119.15 1ckk s THR 28 Ca 0.07 -0.15 0.26 0.00 -1.18 0.00 0.00 61.69 60.69 1ckk s THR 28 Cb -0.17 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 70.31 1ckk s THR 28 CO 0.11 -0.19 1.58 0.71 -0.54 0.00 0.00 174.62 176.29 1ckk h THR 29 N 1.55 0.15 0.07 3.99 1.35 -1.96 -1.04 112.91 117.02 1ckk h THR 29 Ca -0.48 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1ckk h THR 29 Cb 1.19 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1ckk h THR 29 CO 0.68 0.00 -0.03 0.11 -0.25 0.00 0.00 175.52 176.03 1ckk h LYS 30 N 0.00 -0.09 -0.65 4.72 6.56 -1.97 -1.87 116.57 123.27 1ckk h LYS 30 Ca 0.30 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.99 1ckk h LYS 30 Cb 1.95 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 33.52 1ckk h LYS 30 CO -0.00 -0.06 -0.44 0.93 -2.06 0.00 0.00 179.45 177.81 1ckk h GLU 31 N -0.95 -0.18 -0.51 3.15 5.08 -1.58 0.87 114.58 120.46 1ckk h GLU 31 Ca -0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1ckk h GLU 31 Cb 0.07 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1ckk h GLU 31 CO 0.02 -0.12 0.27 1.25 -1.00 0.00 0.00 179.01 179.42 1ckk h LEU 32 N -0.19 0.39 -1.05 1.33 5.85 -1.57 -0.56 115.31 119.51 1ckk h LEU 32 Ca 0.19 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.02 1ckk h LEU 32 Cb 0.56 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 1ckk h LEU 32 CO -0.73 0.27 0.63 1.23 -0.34 0.00 0.00 178.44 179.49 1ckk h GLY 33 N 0.52 1.50 0.33 3.75 0.00 0.44 -1.41 103.07 108.19 1ckk h GLY 33 Ca 0.22 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1ckk h GLY 33 CO -0.15 0.28 -0.13 -0.84 0.00 0.00 0.00 176.54 175.71 1ckk h THR 34 N 1.09 0.60 -0.95 4.70 2.02 0.22 0.68 112.91 121.27 1ckk h THR 34 Ca 0.44 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.67 1ckk h THR 34 Cb 0.26 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1ckk h THR 34 CO -0.19 0.00 0.62 0.58 0.37 0.00 0.00 175.52 176.90 1ckk h VAL 35 N -0.09 1.10 -0.85 3.16 2.07 -0.95 -0.64 116.25 120.06 1ckk h VAL 35 Ca 0.14 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1ckk h VAL 35 Cb 0.30 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 1ckk h VAL 35 CO -0.33 0.21 0.48 0.24 0.02 0.00 0.00 177.57 178.18 1ckk h MET 36 N 1.13 1.17 -0.06 1.57 2.86 -0.30 -0.94 114.93 120.36 1ckk h MET 36 Ca 0.40 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1ckk h MET 36 Cb 0.13 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1ckk h MET 36 CO -0.15 0.84 -0.07 0.00 1.06 0.00 0.00 176.91 178.59 1ckk h ARG 37 N 1.18 0.09 0.59 1.72 3.08 0.58 -1.85 114.38 119.78 1ckk h ARG 37 Ca 0.30 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1ckk h ARG 37 Cb 0.00 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ckk h ARG 37 CO -0.05 0.17 -0.28 0.77 -1.07 0.00 0.00 179.97 179.51 1ckk h SER 38 N 0.09 -0.67 -0.50 7.04 0.02 -0.66 -2.69 113.55 116.17 1ckk h SER 38 Ca 0.02 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.14 1ckk h SER 38 Cb 0.19 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1ckk h SER 38 CO 0.01 -0.37 0.71 -0.07 -1.14 0.00 0.00 176.83 175.98 1ckk h LEU 39 N -1.03 0.00 0.00 5.07 3.38 -1.40 -3.43 115.31 117.90 1ckk h LEU 39 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ckk h LEU 39 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1ckk h LEU 39 CO 0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1ckk n GLY 40 N -1.52 0.69 3.40 0.83 0.00 -1.01 -5.06 105.19 102.52 1ckk n GLY 40 Ca 0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1ckk n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckk s GLN 41 N -0.30 1.25 -0.30 1.61 -0.21 -0.72 -5.01 119.66 115.99 1ckk s GLN 41 Ca 0.00 -1.15 -0.03 0.00 0.02 0.00 0.00 55.36 54.20 1ckk s GLN 41 Cb 0.00 0.41 0.11 0.00 1.00 0.00 0.00 33.01 34.53 1ckk s GLN 41 CO 0.00 -0.48 0.16 0.54 -2.12 0.00 0.00 175.29 173.40 1ckk s ASN 42 N -2.97 3.23 0.61 5.90 2.20 -1.26 -3.43 114.94 119.21 1ckk s ASN 42 Ca 0.17 -1.42 -0.16 0.00 -0.94 0.00 0.00 52.86 50.52 1ckk s ASN 42 Cb 0.02 -0.27 -0.03 0.00 -2.00 0.00 0.00 41.25 38.97 1ckk s ASN 42 CO 0.01 -0.41 1.08 -2.16 -2.94 0.00 0.00 177.10 172.68 1ckk s PRO 43 N 1.92 3.19 0.41 3.55 0.04 -1.26 -5.06 135.00 137.78 1ckk s PRO 43 Ca 0.11 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.50 1ckk s PRO 43 Cb -0.17 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.43 1ckk s PRO 43 CO -0.29 -0.93 0.57 2.41 0.04 0.00 0.00 177.00 178.80 1ckk n THR 44 N -2.06 0.00 0.02 1.26 -1.04 -1.26 -4.93 114.28 106.27 1ckk n THR 44 Ca 0.09 -1.34 -0.01 0.00 -2.04 0.00 0.00 64.05 60.76 1ckk n THR 44 Cb 0.52 -0.68 -0.00 0.00 -1.82 0.00 0.00 70.33 68.35 1ckk n THR 44 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1ckk h GLU 45 N 0.00 -0.04 -0.75 -2.82 4.22 -2.00 -2.22 114.58 110.97 1ckk h GLU 45 Ca -0.19 0.00 0.17 0.00 0.08 0.00 0.00 59.36 59.43 1ckk h GLU 45 Cb 0.87 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.00 1ckk h GLU 45 CO 0.27 -0.03 0.07 0.00 -2.18 0.00 0.00 179.01 177.14 1ckk h ALA 46 N -1.96 0.86 0.15 2.92 0.00 -1.99 -1.40 119.26 117.83 1ckk h ALA 46 Ca -0.00 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ckk h ALA 46 Cb 0.03 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1ckk h ALA 46 CO 0.01 -0.41 -0.45 0.93 0.00 0.00 0.00 179.25 179.33 1ckk h GLU 47 N 0.15 -0.68 -0.85 0.00 4.39 -1.96 -0.66 114.58 114.97 1ckk h GLU 47 Ca 0.42 0.05 0.20 0.00 0.34 0.00 0.00 59.36 60.36 1ckk h GLU 47 Cb 0.75 0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 29.44 1ckk h GLU 47 CO -0.62 -0.45 0.33 -0.07 -1.16 0.00 0.00 179.01 177.04 1ckk h LEU 48 N -0.70 0.25 -1.11 1.33 3.38 -0.62 0.30 115.31 118.14 1ckk h LEU 48 Ca 0.01 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1ckk h LEU 48 Cb 0.71 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1ckk h LEU 48 CO -0.24 0.00 0.07 -0.61 0.09 0.00 0.00 178.44 177.75 1ckk h GLN 49 N 0.38 0.70 -0.04 1.13 5.75 -0.77 0.25 115.11 122.51 1ckk h GLN 49 Ca 0.51 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.80 1ckk h GLN 49 Cb 0.93 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1ckk h GLN 49 CO -0.51 0.67 -0.29 0.22 -2.65 0.00 0.00 178.83 176.26 1ckk h ASP 50 N 0.67 0.07 0.05 -0.69 3.58 0.10 0.12 116.42 120.32 1ckk h ASP 50 Ca 0.15 -0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.42 1ckk h ASP 50 Cb 0.31 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1ckk h ASP 50 CO 0.00 0.36 -0.81 0.24 -2.88 0.00 0.00 179.24 176.16 1ckk h MET 51 N 0.06 0.11 -0.02 0.28 2.86 -0.72 -3.34 114.93 114.16 1ckk h MET 51 Ca 0.01 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1ckk h MET 51 Cb 0.55 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1ckk h MET 51 CO 0.04 1.09 -0.29 0.82 1.06 0.00 0.00 176.91 179.62 1ckk h ILE 52 N -0.73 1.22 0.00 -1.22 1.08 -0.95 -2.56 117.51 114.35 1ckk h ILE 52 Ca -0.19 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 1ckk h ILE 52 Cb 1.37 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1ckk h ILE 52 CO -0.02 0.30 0.12 0.59 -0.69 0.00 0.00 178.15 178.46 1ckk n ASN 53 N -4.18 0.40 -0.10 1.72 5.03 0.40 -0.97 115.26 117.55 1ckk n ASN 53 Ca -0.02 0.64 -0.18 0.00 0.87 0.00 0.00 54.58 55.88 1ckk n ASN 53 Cb 0.35 -0.65 -0.08 0.00 -1.02 0.00 0.00 39.78 38.37 1ckk n ASN 53 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ckk n GLU 54 N -2.06 0.54 0.01 3.52 4.71 -0.96 -4.48 120.64 121.92 1ckk n GLU 54 Ca -0.01 0.49 -0.11 0.00 -0.01 0.00 0.00 57.16 57.51 1ckk n GLU 54 Cb 0.15 -1.67 0.02 0.00 -1.01 0.00 0.00 31.44 28.92 1ckk n GLU 54 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ckk h VAL 55 N -1.00 1.33 -0.11 2.62 2.07 -1.60 -3.40 116.25 116.16 1ckk h VAL 55 Ca -0.31 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 1ckk h VAL 55 Cb 1.15 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1ckk h VAL 55 CO -0.19 0.60 0.29 -0.67 0.02 0.00 0.00 177.57 177.63 1ckk n ASP 56 N -3.91 0.66 0.14 0.57 -0.08 -0.15 -4.70 116.55 109.08 1ckk n ASP 56 Ca -0.04 -2.02 -0.09 0.00 -1.51 0.00 0.00 54.79 51.12 1ckk n ASP 56 Cb 0.67 -1.46 -0.05 0.00 2.34 0.00 0.00 41.12 42.62 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckk h ALA 57 N 11.35 -0.43 0.00 -1.67 0.00 -1.89 -3.16 119.26 123.46 1ckk h ALA 57 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ckk h ALA 57 Cb 1.01 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ckk h ALA 57 CO 1.03 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 1ckk n ASP 58 N -5.07 0.22 -3.35 0.00 5.68 -1.26 -4.84 116.55 107.93 1ckk n ASP 58 Ca -0.07 0.58 -0.18 0.00 -0.50 0.00 0.00 54.79 54.62 1ckk n ASP 58 Cb 0.23 -0.62 0.08 0.00 -1.14 0.00 0.00 41.12 39.67 1ckk n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 59 N -0.86 -0.37 0.11 6.12 0.00 -1.19 -4.92 105.19 104.07 1ckk n GLY 59 Ca 0.01 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.93 0.72 0.00 1.61 6.94 -1.26 -4.99 115.26 115.35 1ckk n ASN 60 Ca -0.18 0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 1ckk n ASN 60 Cb 0.62 0.39 0.00 0.00 -2.36 0.00 0.00 39.78 38.44 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 1.85 0.88 3.11 4.83 0.00 -1.26 -5.12 105.19 109.48 1ckk n GLY 61 Ca -0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.88 0.30 0.52 2.61 -4.23 -1.26 -4.51 115.64 108.18 1ckk s THR 62 Ca 0.00 -1.84 -0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1ckk s THR 62 Cb 0.00 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 1ckk s THR 62 CO 0.00 -0.92 0.87 -0.63 -0.54 0.00 0.00 174.62 173.40 1ckk s ILE 63 N -3.88 4.82 0.39 2.99 -1.09 -0.49 -4.69 121.20 119.25 1ckk s ILE 63 Ca 0.10 0.48 0.04 0.00 -2.23 0.00 0.00 60.65 59.04 1ckk s ILE 63 Cb 0.07 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1ckk s ILE 63 CO -0.08 -0.92 0.06 -1.81 -1.23 0.00 0.00 174.94 170.96 1ckk s ASP 64 N -4.03 2.95 0.00 3.58 1.11 -1.26 -2.31 116.67 116.72 1ckk s ASP 64 Ca 0.50 -1.50 -0.25 0.00 0.18 0.00 0.00 52.55 51.49 1ckk s ASP 64 Cb -0.11 0.12 -0.19 0.00 1.07 0.00 0.00 42.92 43.81 1ckk s ASP 64 CO 0.47 -0.71 1.35 0.15 1.18 0.00 0.00 175.17 177.60 1ckk h PHE 65 N 1.87 -0.06 -0.57 4.23 3.57 -1.99 -2.88 116.94 121.11 1ckk h PHE 65 Ca -0.40 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.99 1ckk h PHE 65 Cb 1.26 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1ckk h PHE 65 CO 0.98 0.31 -0.05 -1.00 -2.23 0.00 0.00 178.31 176.32 1ckk h PRO 66 N -0.44 1.02 -0.99 6.41 0.13 -1.99 -2.67 132.00 133.48 1ckk h PRO 66 Ca -0.01 -0.34 0.14 0.00 -0.87 0.00 0.00 66.00 64.92 1ckk h PRO 66 Cb 0.40 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 31.36 1ckk h PRO 66 CO 0.01 1.03 0.62 0.93 -0.23 0.00 0.00 178.00 180.36 1ckk h GLU 67 N 0.92 0.88 -0.16 0.86 5.08 -1.91 -1.29 114.58 118.96 1ckk h GLU 67 Ca 0.16 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ckk h GLU 67 Cb 0.60 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ckk h GLU 67 CO 0.04 0.58 -0.02 0.35 -1.00 0.00 0.00 179.01 178.97 1ckk h PHE 68 N 0.91 0.33 -0.89 4.33 3.57 -1.25 -0.70 116.94 123.23 1ckk h PHE 68 Ca 0.51 -0.06 0.25 0.00 3.53 0.00 0.00 57.97 62.20 1ckk h PHE 68 Cb 0.61 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1ckk h PHE 68 CO -0.00 0.54 0.63 -0.07 -2.23 0.00 0.00 178.31 177.18 1ckk h LEU 69 N 0.02 0.03 0.00 0.59 3.38 -1.00 0.40 115.31 118.75 1ckk h LEU 69 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ckk h LEU 69 Cb 0.42 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ckk h LEU 69 CO 0.01 0.01 -1.03 0.41 0.09 0.00 0.00 178.44 177.93 1ckk n THR 70 N -4.29 0.19 0.04 0.22 -1.04 -0.92 -4.36 114.28 104.12 1ckk n THR 70 Ca 0.18 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.05 61.83 1ckk n THR 70 Cb 0.94 0.18 -0.08 0.00 -1.82 0.00 0.00 70.33 69.54 1ckk n THR 70 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1ckk h MET 71 N 0.00 -0.18 0.00 -2.82 -1.53 0.14 -2.77 114.93 107.76 1ckk h MET 71 Ca 0.00 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1ckk h MET 71 Cb 0.74 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.83 1ckk h MET 71 CO 0.00 0.27 0.33 0.52 0.14 0.00 0.00 176.91 178.17 1ckk h MET 72 N -0.85 0.00 0.00 0.39 2.07 -1.68 0.50 114.93 115.36 1ckk h MET 72 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1ckk h MET 72 Cb 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 1ckk h MET 72 CO 0.03 0.00 -0.98 0.00 1.07 0.00 0.00 176.91 177.03 1ckk n ALA 73 N -1.76 4.68 -0.11 6.32 0.00 -1.18 -3.30 120.51 125.16 1ckk n ALA 73 Ca -0.02 -0.59 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 1ckk n ALA 73 Cb 0.37 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 1ckk n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ckk n ARG 74 N -1.51 0.69 -0.13 0.00 0.63 0.17 -4.61 116.66 111.90 1ckk n ARG 74 Ca 0.04 0.06 -0.28 0.00 -0.92 0.00 0.00 57.85 56.75 1ckk n ARG 74 Cb 0.33 -1.51 -0.10 0.00 0.45 0.00 0.00 32.46 31.63 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 -2.97 0.59 -0.98 -0.14 3.00 -0.58 -4.49 118.16 112.58 1ckk n LYS 75 Ca -0.38 0.33 -0.20 0.00 -0.00 0.00 0.00 58.31 58.06 1ckk n LYS 75 Cb 1.07 -1.55 -0.10 0.00 0.00 0.00 0.00 35.03 34.46 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 -4.27 2.37 -0.09 1.64 2.81 -1.21 -4.23 117.12 114.14 1ckk n MET 76 Ca -0.49 -1.34 -0.14 0.00 -1.81 0.00 0.00 57.70 53.91 1ckk n MET 76 Cb 0.84 -2.26 -0.05 0.00 -0.71 0.00 0.00 33.22 31.05 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 3.08 0.49 0.00 0.03 4.81 -1.26 -4.80 118.16 120.51 1ckk n LYS 77 Ca 0.51 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1ckk n LYS 77 Cb 0.54 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.25 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ckk n ASP 78 N -4.27 0.00 -0.32 3.14 2.03 -1.26 -4.94 116.55 110.94 1ckk n ASP 78 Ca -0.25 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.20 1ckk n ASP 78 Cb 0.59 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 41.28 1ckk n ASP 78 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1ckk h THR 79 N 0.00 0.14 -1.54 5.18 2.02 -1.96 -3.19 112.91 113.56 1ckk h THR 79 Ca 0.00 -0.02 -0.48 0.00 0.77 0.00 0.00 66.41 66.67 1ckk h THR 79 Cb 0.00 0.06 -0.33 0.00 -1.74 0.00 0.00 68.15 66.14 1ckk h THR 79 CO 0.00 0.01 -0.96 -0.90 0.37 0.00 0.00 175.52 174.04 1ckk n ASP 80 N -5.39 -0.57 -0.06 4.18 5.75 -1.26 -4.92 116.55 114.28 1ckk n ASP 80 Ca 0.22 -2.83 -0.06 0.00 -0.01 0.00 0.00 54.79 52.11 1ckk n ASP 80 Cb 0.73 -0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.68 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1ckk n SER 81 N 1.50 2.50 0.11 -1.12 3.41 -1.20 -4.28 113.62 114.54 1ckk n SER 81 Ca 0.18 -0.02 -0.19 0.00 -0.26 0.00 0.00 58.87 58.58 1ckk n SER 81 Cb 0.55 0.53 -0.13 0.00 -0.26 0.00 0.00 64.21 64.90 1ckk n SER 81 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1ckk h GLU 82 N 0.00 0.43 0.00 4.33 4.11 -1.91 -3.09 114.58 118.44 1ckk h GLU 82 Ca -0.29 -0.66 0.00 0.00 0.07 0.00 0.00 59.36 58.48 1ckk h GLU 82 Cb 1.62 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1ckk h GLU 82 CO 0.00 1.30 0.00 -0.85 0.07 0.00 0.00 179.01 179.53 1ckk n GLU 83 N -3.66 0.02 0.10 1.06 0.28 -1.26 -2.41 120.64 114.76 1ckk n GLU 83 Ca -0.12 0.18 -0.03 0.00 -0.16 0.00 0.00 57.16 57.04 1ckk n GLU 83 Cb 1.02 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 32.36 1ckk n GLU 83 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1ckk h GLU 84 N 0.00 0.00 -0.78 3.44 4.39 -1.72 -3.17 114.58 116.75 1ckk h GLU 84 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1ckk h GLU 84 Cb 0.31 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1ckk h GLU 84 CO 0.00 0.77 0.32 0.82 -1.16 0.00 0.00 179.01 179.76 1ckk h ILE 85 N 0.00 1.25 0.00 3.13 2.04 -1.56 0.36 117.51 122.73 1ckk h ILE 85 Ca -0.01 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 1ckk h ILE 85 Cb 1.55 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1ckk h ILE 85 CO 0.10 0.32 -0.24 -0.09 0.00 0.00 0.00 178.15 178.25 1ckk h ARG 86 N 1.12 0.00 0.04 2.37 2.43 -1.68 0.49 114.38 119.15 1ckk h ARG 86 Ca 0.26 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1ckk h ARG 86 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ckk h ARG 86 CO -0.02 0.24 -0.02 0.93 -1.51 0.00 0.00 179.97 179.58 1ckk h GLU 87 N 0.00 -0.06 -0.24 0.20 4.39 -1.00 0.54 114.58 118.41 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 0.46 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1ckk h GLU 87 CO 0.03 0.54 0.15 0.00 -1.16 0.00 0.00 179.01 178.56 1ckk h ALA 88 N -0.27 1.81 -0.08 3.43 0.00 -0.22 -1.81 119.26 122.12 1ckk h ALA 88 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1ckk h ALA 88 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ckk h ALA 88 CO 0.01 0.17 -0.29 0.35 0.00 0.00 0.00 179.25 179.49 1ckk h PHE 89 N 0.32 0.44 -0.18 0.00 3.57 -0.05 -2.68 116.94 118.36 1ckk h PHE 89 Ca 0.09 -0.18 0.05 0.00 3.53 0.00 0.00 57.97 61.45 1ckk h PHE 89 Cb -0.02 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1ckk h PHE 89 CO 0.00 0.91 0.28 -0.09 -2.23 0.00 0.00 178.31 177.17 1ckk h ARG 90 N -0.15 0.00 0.10 1.11 1.12 -0.17 0.09 114.38 116.48 1ckk h ARG 90 Ca -0.01 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.68 1ckk h ARG 90 Cb 0.93 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.90 1ckk h ARG 90 CO 0.06 0.00 -0.75 0.28 -3.11 0.00 0.00 179.97 176.45 1ckk h VAL 91 N 0.00 1.48 -0.50 0.20 2.07 -1.08 -3.22 116.25 115.19 1ckk h VAL 91 Ca 0.09 -2.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.15 1ckk h VAL 91 Cb 0.64 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 1ckk h VAL 91 CO -0.00 0.68 0.04 -0.26 0.02 0.00 0.00 177.57 178.05 1ckk h PHE 92 N -0.27 0.92 -2.35 1.57 0.04 -0.73 -3.21 116.94 112.91 1ckk h PHE 92 Ca -0.12 -0.14 -0.81 0.00 2.80 0.00 0.00 57.97 59.70 1ckk h PHE 92 Cb 1.54 -0.25 -0.27 0.00 2.20 0.00 0.00 35.95 39.17 1ckk h PHE 92 CO 0.18 0.85 0.99 -3.47 -0.60 0.00 0.00 178.31 176.26 1ckk n ASP 93 N -4.37 7.22 -0.13 2.17 2.03 -0.29 -4.48 116.55 118.70 1ckk n ASP 93 Ca 0.01 -3.65 -0.04 0.00 0.52 0.00 0.00 54.79 51.63 1ckk n ASP 93 Cb 0.28 -1.18 0.04 0.00 -0.72 0.00 0.00 41.12 39.54 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 4.38 0.17 -0.61 -0.67 3.11 -1.56 0.14 116.57 121.53 1ckk h LYS 94 Ca 0.49 -0.01 0.14 0.00 -2.81 0.00 0.00 60.65 58.46 1ckk h LYS 94 Cb 0.36 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.52 1ckk h LYS 94 CO 1.20 0.11 0.42 0.38 -2.81 0.00 0.00 179.45 178.75 1ckk h ASP 95 N 0.18 0.20 -4.58 4.20 2.03 -1.89 -3.46 116.42 113.09 1ckk h ASP 95 Ca 0.20 0.01 -0.20 0.00 -0.73 0.00 0.00 57.03 56.31 1ckk h ASP 95 Cb 0.26 -0.03 0.13 0.00 -0.83 0.00 0.00 39.33 38.86 1ckk h ASP 95 CO -0.29 0.11 -0.56 0.61 -1.03 0.00 0.00 179.24 178.09 1ckk n GLY 96 N -1.58 -0.30 0.36 7.15 0.00 0.50 -4.93 105.19 106.40 1ckk n GLY 96 Ca 0.11 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.56 1.59 0.00 1.61 0.23 -1.26 -4.92 115.26 109.94 1ckk n ASN 97 Ca -0.13 -1.24 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 1ckk n ASN 97 Cb 0.60 0.40 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 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 1.40 0.99 3.57 4.83 0.00 -1.26 -5.06 105.19 109.65 1ckk n GLY 98 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.33 -0.08 1.61 2.02 -1.26 -4.64 117.35 112.66 1ckk s TYR 99 Ca 0.00 0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.86 1ckk s TYR 99 Cb 0.00 0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 42.13 1ckk s TYR 99 CO 0.00 -0.74 -0.24 0.42 -1.57 0.00 0.00 175.55 173.42 1ckk s ILE 100 N -3.37 2.11 0.17 2.71 1.01 0.14 -4.83 121.20 119.13 1ckk s ILE 100 Ca 0.06 -1.02 0.09 0.00 0.00 0.00 0.00 60.65 59.78 1ckk s ILE 100 Cb -0.01 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1ckk s ILE 100 CO -0.06 0.56 -0.15 -0.44 0.00 0.00 0.00 174.94 174.85 1ckk s SER 101 N 0.09 3.98 0.50 3.58 0.01 -1.26 -1.51 113.70 119.08 1ckk s SER 101 Ca -0.11 -0.64 0.36 0.00 1.31 0.00 0.00 55.95 56.88 1ckk s SER 101 Cb -0.16 -0.58 1.51 0.00 0.21 0.00 0.00 66.02 67.01 1ckk s SER 101 CO 0.06 0.13 1.68 0.00 0.41 0.00 0.00 173.24 175.52 1ckk h ALA 102 N 3.18 3.10 -0.25 1.44 0.00 -1.92 0.71 119.26 125.53 1ckk h ALA 102 Ca -0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1ckk h ALA 102 Cb 1.20 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1ckk h ALA 102 CO 0.51 -1.60 0.10 0.00 0.00 0.00 0.00 179.25 178.26 1ckk h ALA 103 N 1.38 0.32 -0.23 0.00 0.00 -1.98 -0.35 119.26 118.40 1ckk h ALA 103 Ca 0.75 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.60 1ckk h ALA 103 Cb 2.68 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 20.32 1ckk h ALA 103 CO -0.17 -0.09 -0.09 0.93 0.00 0.00 0.00 179.25 179.83 1ckk h GLU 104 N 0.25 -0.06 0.16 0.00 5.08 0.15 -0.30 114.58 119.86 1ckk h GLU 104 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ckk h GLU 104 Cb 0.17 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1ckk h GLU 104 CO -0.01 -0.04 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.73 1ckk h LEU 105 N -0.06 -0.43 -1.87 1.33 -0.00 -1.27 0.11 115.31 113.11 1ckk h LEU 105 Ca 0.12 0.04 0.17 0.00 -0.00 0.00 0.00 57.88 58.22 1ckk h LEU 105 Cb 0.24 0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 1ckk h LEU 105 CO -0.27 -0.24 0.59 -0.09 -0.00 0.00 0.00 178.44 178.42 1ckk h ARG 106 N -0.35 0.00 0.00 1.13 2.43 -0.45 1.49 114.38 118.63 1ckk h ARG 106 Ca 0.01 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1ckk h ARG 106 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1ckk h ARG 106 CO -0.05 0.00 -0.52 1.25 -1.51 0.00 0.00 179.97 179.14 1ckk h HIS 107 N 0.00 0.00 0.00 2.20 2.76 0.93 -2.64 115.15 118.40 1ckk h HIS 107 Ca 0.28 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 58.09 1ckk h HIS 107 Cb 1.46 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.35 1ckk h HIS 107 CO 0.00 0.52 -2.32 1.55 -1.30 0.00 0.00 177.93 176.39 1ckk n VAL 108 N -3.26 1.43 -0.00 5.26 3.14 0.41 -3.59 118.33 121.72 1ckk n VAL 108 Ca 0.02 -0.83 -0.12 0.00 -2.96 0.00 0.00 64.34 60.44 1ckk n VAL 108 Cb 0.73 -0.60 -0.10 0.00 -1.06 0.00 0.00 33.84 32.81 1ckk n VAL 108 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1ckk h MET 109 N 0.00 -0.07 0.00 1.45 2.86 0.14 -1.44 114.93 117.87 1ckk h MET 109 Ca -0.52 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.09 1ckk h MET 109 Cb 2.20 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.87 1ckk h MET 109 CO 0.03 0.51 -0.15 1.15 1.06 0.00 0.00 176.91 179.51 1ckk h THR 110 N -0.75 0.45 0.00 2.22 2.02 -1.32 -2.09 112.91 113.44 1ckk h THR 110 Ca -0.01 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1ckk h THR 110 Cb 0.62 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1ckk h THR 110 CO 0.01 0.15 -0.49 0.59 0.37 0.00 0.00 175.52 176.15 1ckk n ASN 111 N -3.40 0.68 0.00 4.18 5.03 -1.22 -3.85 115.26 116.68 1ckk n ASN 111 Ca -0.00 0.18 -0.14 0.00 0.87 0.00 0.00 54.58 55.48 1ckk n ASN 111 Cb 0.34 -0.01 -0.14 0.00 -1.02 0.00 0.00 39.78 38.95 1ckk n ASN 111 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1ckk h LEU 112 N 0.00 0.20 0.00 3.41 3.38 -0.60 -3.40 115.31 118.30 1ckk h LEU 112 Ca 0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1ckk h LEU 112 Cb 0.71 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ckk h LEU 112 CO 0.00 1.37 0.00 0.61 0.09 0.00 0.00 178.44 180.51 1ckk n GLY 113 N 1.73 1.32 3.91 0.83 0.00 -0.92 -4.93 105.19 107.14 1ckk n GLY 113 Ca -0.22 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 3.56 -0.47 1.61 2.12 -1.21 -4.89 118.70 119.43 1ckk s GLU 114 Ca 0.00 0.01 0.06 0.00 0.36 0.00 0.00 54.97 55.40 1ckk s GLU 114 Cb 0.00 -2.53 0.20 0.00 0.26 0.00 0.00 34.13 32.06 1ckk s GLU 114 CO 0.00 0.01 0.45 0.36 -0.54 0.00 0.00 175.26 175.54 1ckk n LYS 115 N -1.74 0.77 -1.12 4.30 2.85 -1.26 -2.88 118.16 119.09 1ckk n LYS 115 Ca -0.01 -3.50 -0.36 0.00 -1.05 0.00 0.00 58.31 53.39 1ckk n LYS 115 Cb 0.55 -1.67 -0.00 0.00 -0.65 0.00 0.00 35.03 33.26 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 2.12 -2.46 0.00 -5.58 4.32 -1.26 -4.90 117.00 109.23 1ckk n LEU 116 Ca 0.26 0.70 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 1ckk n LEU 116 Cb 0.47 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 1ckk n LEU 116 CO 0.16 -3.61 0.00 0.41 -1.22 0.00 0.00 177.39 173.14 1ckk n THR 117 N -0.87 0.00 -0.03 -5.08 -1.04 -1.26 -4.65 114.28 101.35 1ckk n THR 117 Ca 0.10 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.92 1ckk n THR 117 Cb 0.34 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.72 1ckk n THR 117 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1ckk h ASP 118 N -0.83 0.22 0.21 8.00 3.32 -1.99 -3.09 116.42 122.25 1ckk h ASP 118 Ca 0.00 -0.85 -0.00 0.00 0.02 0.00 0.00 57.03 56.20 1ckk h ASP 118 Cb 0.00 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1ckk h ASP 118 CO 0.00 1.37 -0.17 -0.33 -1.72 0.00 0.00 179.24 178.40 1ckk h GLU 119 N -0.65 -0.37 -0.73 3.56 5.08 -1.99 -1.06 114.58 118.41 1ckk h GLU 119 Ca -0.19 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1ckk h GLU 119 Cb 1.43 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.68 1ckk h GLU 119 CO 0.01 -0.25 0.32 0.93 -1.00 0.00 0.00 179.01 179.02 1ckk h GLU 120 N -0.39 0.50 0.02 2.33 4.39 -1.91 0.12 114.58 119.63 1ckk h GLU 120 Ca -0.01 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1ckk h GLU 120 Cb 0.35 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1ckk h GLU 120 CO -0.02 0.33 -0.08 0.28 -1.16 0.00 0.00 179.01 178.36 1ckk h VAL 121 N 0.51 0.80 0.60 3.13 2.07 -1.31 0.28 116.25 122.33 1ckk h VAL 121 Ca 0.39 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.88 1ckk h VAL 121 Cb 0.52 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1ckk h VAL 121 CO -0.34 0.00 -0.29 0.44 0.02 0.00 0.00 177.57 177.40 1ckk h ASP 122 N -0.15 -0.69 -0.92 0.57 5.19 -0.26 -2.42 116.42 117.75 1ckk h ASP 122 Ca 0.03 -0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.61 1ckk h ASP 122 Cb 0.18 0.18 -0.07 0.00 0.18 0.00 0.00 39.33 39.79 1ckk h ASP 122 CO -0.07 -0.44 0.59 -0.33 -3.12 0.00 0.00 179.24 175.87 1ckk h GLU 123 N -0.88 0.56 -0.22 3.56 5.08 -0.70 -0.28 114.58 121.69 1ckk h GLU 123 Ca -0.08 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1ckk h GLU 123 Cb 0.65 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1ckk h GLU 123 CO 0.14 0.37 -0.07 1.98 -1.00 0.00 0.00 179.01 180.43 1ckk h MET 124 N 0.58 -0.02 -0.11 2.33 4.05 0.05 0.47 114.93 122.27 1ckk h MET 124 Ca 0.48 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.83 1ckk h MET 124 Cb 0.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1ckk h MET 124 CO -0.22 -0.01 -0.23 0.82 0.23 0.00 0.00 176.91 177.50 1ckk h ILE 125 N -0.02 1.38 0.53 1.77 1.08 -0.89 -3.26 117.51 118.11 1ckk h ILE 125 Ca 0.11 -1.51 -0.02 0.00 -0.39 0.00 0.00 64.86 63.05 1ckk h ILE 125 Cb 0.18 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1ckk h ILE 125 CO -0.24 0.44 -0.26 0.03 -0.69 0.00 0.00 178.15 177.43 1ckk h ARG 126 N -0.07 -0.69 -0.99 2.37 2.47 -0.87 0.16 114.38 116.75 1ckk h ARG 126 Ca 0.00 0.05 0.29 0.00 -1.26 0.00 0.00 59.98 59.06 1ckk h ARG 126 Cb 0.82 0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.25 1ckk h ARG 126 CO 0.05 -0.46 1.03 1.49 0.56 0.00 0.00 179.97 182.64 1ckk h GLU 127 N -0.72 0.00 0.00 0.04 4.81 -0.16 0.74 114.58 119.29 1ckk h GLU 127 Ca -0.07 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.85 1ckk h GLU 127 Cb 0.56 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1ckk h GLU 127 CO 0.11 0.00 -2.23 0.00 -0.73 0.00 0.00 179.01 176.16 1ckk n ALA 128 N -2.36 1.69 -0.80 2.92 0.00 -0.66 -4.67 120.51 116.62 1ckk n ALA 128 Ca 0.22 -1.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.08 1ckk n ALA 128 Cb 1.34 -0.35 -0.09 0.00 0.00 0.00 0.00 19.45 20.35 1ckk n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckk n ASP 129 N -2.72 1.74 -0.07 0.00 -0.08 0.26 -4.59 116.55 111.08 1ckk n ASP 129 Ca -0.27 -2.58 -0.01 0.00 -1.51 0.00 0.00 54.79 50.43 1ckk n ASP 129 Cb 1.06 -0.80 0.26 0.00 2.34 0.00 0.00 41.12 43.98 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 4.72 1.20 0.00 5.18 5.03 -1.83 -1.67 117.51 130.14 1ckk h ILE 130 Ca 0.34 -0.71 -0.06 0.00 -0.12 0.00 0.00 64.86 64.31 1ckk h ILE 130 Cb 0.67 0.72 -0.01 0.00 -3.03 0.00 0.00 36.82 35.17 1ckk h ILE 130 CO 1.99 0.26 -0.28 -2.24 -0.68 0.00 0.00 178.15 177.20 1ckk h ASP 131 N 0.68 0.00 -3.74 1.72 2.03 -1.96 -3.48 116.42 111.67 1ckk h ASP 131 Ca 0.15 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.36 1ckk h ASP 131 Cb 0.24 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 38.81 1ckk h ASP 131 CO -0.00 0.28 -0.30 0.61 -1.03 0.00 0.00 179.24 178.80 1ckk n GLY 132 N 0.58 0.18 0.00 7.15 0.00 -0.63 -4.98 105.19 107.49 1ckk n GLY 132 Ca 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.03 1.55 0.00 1.61 5.68 -1.26 -4.98 116.55 117.10 1ckk n ASP 133 Ca -0.04 -0.36 0.00 0.00 -0.50 0.00 0.00 54.79 53.89 1ckk n ASP 133 Cb 0.55 1.26 0.00 0.00 -1.14 0.00 0.00 41.12 41.79 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 1.58 0.59 3.35 6.12 0.00 -1.26 -5.06 105.19 110.50 1ckk n GLY 134 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.67 1.09 -0.04 1.61 -0.21 -1.26 -4.78 119.66 115.40 1ckk s GLN 135 Ca 0.00 -0.54 -0.16 0.00 0.02 0.00 0.00 55.36 54.68 1ckk s GLN 135 Cb 0.00 0.49 -0.05 0.00 1.00 0.00 0.00 33.01 34.45 1ckk s GLN 135 CO 0.00 -0.43 0.43 0.08 -2.12 0.00 0.00 175.29 173.26 1ckk s VAL 136 N -3.43 5.08 0.47 1.09 1.01 -0.57 -4.72 120.40 119.33 1ckk s VAL 136 Ca 0.00 0.89 0.07 0.00 0.00 0.00 0.00 61.98 62.94 1ckk s VAL 136 Cb 0.01 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1ckk s VAL 136 CO -0.09 0.48 0.44 0.21 0.00 0.00 0.00 175.10 176.13 1ckk s ASN 137 N -0.41 4.96 0.14 3.32 3.84 -1.26 0.24 114.94 125.77 1ckk s ASN 137 Ca 0.24 -0.88 -0.19 0.00 0.21 0.00 0.00 52.86 52.24 1ckk s ASN 137 Cb -0.16 -0.22 0.02 0.00 -0.55 0.00 0.00 41.25 40.35 1ckk s ASN 137 CO 0.12 -0.85 1.69 0.22 -2.79 0.00 0.00 177.10 175.49 1ckk h TYR 138 N 0.85 -0.13 0.07 0.43 3.20 -1.98 -0.80 116.97 118.61 1ckk h TYR 138 Ca -0.39 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.53 1ckk h TYR 138 Cb 1.28 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.60 1ckk h TYR 138 CO 0.62 -0.11 -0.37 0.93 -1.64 0.00 0.00 178.16 177.60 1ckk h GLU 139 N 0.01 -0.55 0.34 1.82 4.39 -1.98 -1.99 114.58 116.62 1ckk h GLU 139 Ca 0.14 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1ckk h GLU 139 Cb 0.20 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1ckk h GLU 139 CO -0.28 -0.36 -0.46 0.93 -1.16 0.00 0.00 179.01 177.68 1ckk h GLU 140 N -0.57 -0.81 -1.22 2.33 5.08 -1.86 0.54 114.58 118.07 1ckk h GLU 140 Ca 0.04 0.06 0.35 0.00 -1.00 0.00 0.00 59.36 58.81 1ckk h GLU 140 Cb 0.62 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 1ckk h GLU 140 CO -0.25 -0.54 1.09 0.35 -1.00 0.00 0.00 179.01 178.66 1ckk h PHE 141 N -0.84 0.00 0.10 4.33 3.04 -0.90 0.55 116.94 123.21 1ckk h PHE 141 Ca -0.03 0.00 -0.36 0.00 3.98 0.00 0.00 57.97 61.56 1ckk h PHE 141 Cb 0.78 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.26 1ckk h PHE 141 CO -0.30 0.00 -2.06 0.28 -2.02 0.00 0.00 178.31 174.22 1ckk n VAL 142 N -3.66 1.73 0.14 1.41 0.31 0.21 -3.59 118.33 114.87 1ckk n VAL 142 Ca 0.27 -0.66 0.09 0.00 -0.01 0.00 0.00 64.34 64.03 1ckk n VAL 142 Cb 1.47 -1.63 0.46 0.00 -0.91 0.00 0.00 33.84 33.23 1ckk n VAL 142 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ckk n GLN 143 N -3.41 0.11 -0.00 5.55 7.27 0.19 -0.71 117.38 126.36 1ckk n GLN 143 Ca -0.33 0.60 0.06 0.00 0.07 0.00 0.00 57.00 57.40 1ckk n GLN 143 Cb 1.04 -1.93 -0.08 0.00 2.41 0.00 0.00 30.24 31.68 1ckk n GLN 143 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1ckk n MET 144 N -2.10 2.30 -0.01 3.69 2.81 -0.86 -3.98 117.12 118.98 1ckk n MET 144 Ca -0.01 -0.02 0.11 0.00 -1.81 0.00 0.00 57.70 55.97 1ckk n MET 144 Cb 0.10 -1.16 -0.16 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.40 0.52 -0.22 0.03 2.81 0.11 -4.38 117.12 114.58 1ckk n MET 145 Ca 0.02 -0.15 0.08 0.00 -1.81 0.00 0.00 57.70 55.84 1ckk n MET 145 Cb 0.23 -1.52 0.13 0.00 -0.71 0.00 0.00 33.22 31.35 1ckk n MET 145 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ckk n THR 146 N -2.10 1.69 -1.73 2.03 5.66 -0.67 -4.78 114.28 114.39 1ckk n THR 146 Ca -0.02 -2.14 -0.38 0.00 -3.05 0.00 0.00 64.05 58.46 1ckk n THR 146 Cb 0.52 -0.14 0.05 0.00 -1.55 0.00 0.00 70.33 69.22 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ckk n ALA 147 N -1.20 6.45 0.44 1.79 0.00 -1.26 -5.03 120.51 121.70 1ckk n ALA 147 Ca 0.15 -3.91 0.05 0.00 0.00 0.00 0.00 53.44 49.73 1ckk n ALA 147 Cb 0.66 -1.90 0.04 0.00 0.00 0.00 0.00 19.45 18.25 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67