#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 -3.54 -2.35 0.00 2.03 -1.26 -4.77 116.55 106.66 1ckk n ASP 2 Ca 0.00 0.50 -0.23 0.00 0.52 0.00 0.00 54.79 55.58 1ckk n ASP 2 Cb 0.00 -0.94 -0.07 0.00 -0.72 0.00 0.00 41.12 39.39 1ckk n ASP 2 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1ckk n GLN 3 N 1.04 2.27 0.00 -0.67 7.27 -1.26 -4.95 117.38 121.08 1ckk n GLN 3 Ca 0.06 -2.02 0.00 0.00 0.07 0.00 0.00 57.00 55.11 1ckk n GLN 3 Cb 0.50 -2.06 0.00 0.00 2.41 0.00 0.00 30.24 31.09 1ckk n GLN 3 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1ckk n LEU 4 N 1.12 0.00 -3.90 1.69 4.77 -1.26 -5.01 117.00 114.41 1ckk n LEU 4 Ca 0.46 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 1ckk n LEU 4 Cb 0.62 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.54 1ckk n LEU 4 CO 0.29 -0.75 -0.42 0.42 -1.33 0.00 0.00 177.39 175.60 1ckk s THR 5 N -0.22 0.65 0.03 -5.08 -4.23 -1.26 -5.03 115.64 100.50 1ckk s THR 5 Ca 0.00 -0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.17 1ckk s THR 5 Cb 0.00 -0.68 -0.21 0.00 1.34 0.00 0.00 72.50 72.96 1ckk s THR 5 CO 0.00 0.26 1.17 -0.08 -0.54 0.00 0.00 174.62 175.44 1ckk h GLU 6 N 7.41 0.49 -0.30 3.99 4.57 -2.00 -3.15 114.58 125.59 1ckk h GLU 6 Ca -0.33 -0.45 0.07 0.00 -1.18 0.00 0.00 59.36 57.47 1ckk h GLU 6 Cb 1.15 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.77 1ckk h GLU 6 CO 0.43 1.09 -0.28 1.49 -1.18 0.00 0.00 179.01 180.56 1ckk h GLU 7 N 0.04 -0.26 -0.37 1.92 4.57 -1.99 0.82 114.58 119.32 1ckk h GLU 7 Ca -0.06 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1ckk h GLU 7 Cb 1.25 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.81 1ckk h GLU 7 CO 0.12 -0.17 -0.23 1.96 -1.18 0.00 0.00 179.01 179.51 1ckk h GLN 8 N -0.26 -0.16 -0.42 1.92 4.20 -2.00 0.20 115.11 118.59 1ckk h GLN 8 Ca 0.15 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.95 1ckk h GLN 8 Cb 0.50 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 1ckk h GLN 8 CO -0.45 -0.11 0.01 0.82 -0.67 0.00 0.00 178.83 178.43 1ckk h ILE 9 N -0.17 0.69 -0.90 2.54 2.04 -1.16 0.14 117.51 120.68 1ckk h ILE 9 Ca 0.18 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 66.09 1ckk h ILE 9 Cb 0.45 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1ckk h ILE 9 CO -0.47 0.02 0.58 0.00 0.00 0.00 0.00 178.15 178.28 1ckk h ALA 10 N 1.37 1.58 -0.12 1.87 0.00 0.97 0.40 119.26 125.33 1ckk h ALA 10 Ca 0.21 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ckk h ALA 10 Cb 0.30 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1ckk h ALA 10 CO -0.34 0.25 -0.18 1.49 0.00 0.00 0.00 179.25 180.47 1ckk h GLU 11 N 0.94 -0.22 -0.76 0.00 4.81 0.21 0.30 114.58 119.86 1ckk h GLU 11 Ca 0.41 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.61 1ckk h GLU 11 Cb 0.33 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1ckk h GLU 11 CO -0.17 -0.15 0.30 0.74 -0.73 0.00 0.00 179.01 179.00 1ckk h PHE 12 N -0.23 1.17 -0.69 0.92 0.04 -0.74 -2.21 116.94 115.19 1ckk h PHE 12 Ca 0.10 -0.09 0.07 0.00 2.80 0.00 0.00 57.97 60.85 1ckk h PHE 12 Cb 0.37 -0.35 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 1ckk h PHE 12 CO -0.29 0.89 0.37 -0.22 -0.60 0.00 0.00 178.31 178.46 1ckk h LYS 13 N 1.10 0.63 -0.46 1.51 3.64 0.29 0.86 116.57 124.14 1ckk h LYS 13 Ca 0.25 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1ckk h LYS 13 Cb 0.23 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1ckk h LYS 13 CO -0.02 0.42 0.21 0.93 -2.27 0.00 0.00 179.45 178.72 1ckk h GLU 14 N 0.65 0.41 0.11 1.90 5.08 0.14 -0.57 114.58 122.30 1ckk h GLU 14 Ca 0.32 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1ckk h GLU 14 Cb 0.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ckk h GLU 14 CO -0.22 0.27 -0.05 0.00 -1.00 0.00 0.00 179.01 178.01 1ckk h ALA 15 N 1.27 -0.14 -1.29 3.43 0.00 -0.75 0.01 119.26 121.79 1ckk h ALA 15 Ca 0.21 -0.19 0.38 0.00 0.00 0.00 0.00 54.91 55.31 1ckk h ALA 15 Cb 0.15 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1ckk h ALA 15 CO -0.17 -0.39 0.87 0.35 0.00 0.00 0.00 179.25 179.91 1ckk h PHE 16 N -0.52 0.38 0.06 0.00 3.57 0.10 1.58 116.94 122.11 1ckk h PHE 16 Ca -0.01 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.25 1ckk h PHE 16 Cb 0.43 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1ckk h PHE 16 CO 0.05 -0.06 -1.24 0.66 -2.23 0.00 0.00 178.31 175.49 1ckk h SER 17 N 0.14 0.20 -1.02 0.41 4.64 -0.69 -3.06 113.55 114.17 1ckk h SER 17 Ca 0.71 -0.24 0.26 0.00 -0.47 0.00 0.00 61.79 62.06 1ckk h SER 17 Cb 2.36 -0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 64.30 1ckk h SER 17 CO -0.24 1.19 0.67 0.25 -0.87 0.00 0.00 176.83 177.83 1ckk h LEU 18 N 0.04 0.35 0.09 5.97 6.46 0.43 -0.85 115.31 127.79 1ckk h LEU 18 Ca -0.12 0.06 -0.17 0.00 -0.12 0.00 0.00 57.88 57.53 1ckk h LEU 18 Cb 1.90 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.83 1ckk h LEU 18 CO 0.15 0.09 -0.85 -0.26 -0.62 0.00 0.00 178.44 176.96 1ckk h PHE 19 N 0.32 0.35 -2.36 1.25 0.04 -1.49 -3.43 116.94 111.62 1ckk h PHE 19 Ca 0.55 -0.25 -0.53 0.00 2.80 0.00 0.00 57.97 60.54 1ckk h PHE 19 Cb 1.54 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.63 1ckk h PHE 19 CO -0.00 1.33 1.27 0.34 -0.60 0.00 0.00 178.31 180.65 1ckk s ASP 20 N -6.81 5.63 -0.07 2.17 2.15 -0.32 -4.66 116.67 114.75 1ckk s ASP 20 Ca -0.18 0.56 0.11 0.00 0.43 0.00 0.00 52.55 53.47 1ckk s ASP 20 Cb 0.01 -2.53 -0.24 0.00 -0.30 0.00 0.00 42.92 39.87 1ckk s ASP 20 CO 0.76 -2.05 0.55 1.17 -0.17 0.00 0.00 175.17 175.43 1ckk n LYS 21 N 8.87 0.65 -0.02 4.34 3.00 -1.26 -4.32 118.16 129.42 1ckk n LYS 21 Ca 0.19 0.26 -0.15 0.00 -0.00 0.00 0.00 58.31 58.60 1ckk n LYS 21 Cb 0.50 -1.75 -0.11 0.00 0.00 0.00 0.00 35.03 33.67 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 0.01 0.32 0.00 3.14 2.03 -1.94 -3.48 116.42 116.49 1ckk h ASP 22 Ca -0.33 -0.73 0.00 0.00 -0.73 0.00 0.00 57.03 55.23 1ckk h ASP 22 Cb 2.04 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 40.45 1ckk h ASP 22 CO 0.07 1.01 0.00 0.61 -1.03 0.00 0.00 179.24 179.90 1ckk n GLY 23 N 0.94 0.84 0.00 7.15 0.00 -1.26 -5.03 105.19 107.83 1ckk n GLY 23 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 3.25 0.00 1.61 5.68 -1.26 -4.99 116.55 120.84 1ckk n ASP 24 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 1ckk n ASP 24 Cb 0.00 1.17 0.00 0.00 -1.14 0.00 0.00 41.12 41.15 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 25 N 2.03 0.75 3.10 6.12 0.00 -1.26 -5.04 105.19 110.89 1ckk n GLY 25 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ckk n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 26 N -2.38 2.09 -0.19 2.61 -4.23 -1.25 -3.86 115.64 108.42 1ckk s THR 26 Ca 0.00 -1.19 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 1ckk s THR 26 Cb 0.00 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 1ckk s THR 26 CO 0.00 0.32 0.55 -0.63 -0.54 0.00 0.00 174.62 174.33 1ckk s ILE 27 N 1.23 5.08 0.57 2.99 1.01 -0.97 -4.79 121.20 126.32 1ckk s ILE 27 Ca -0.00 1.03 0.10 0.00 0.00 0.00 0.00 60.65 61.78 1ckk s ILE 27 Cb -0.16 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.52 1ckk s ILE 27 CO -0.10 0.16 0.78 0.42 0.00 0.00 0.00 174.94 176.20 1ckk s THR 28 N 1.66 2.15 0.40 2.92 -4.23 -1.26 -2.27 115.64 115.01 1ckk s THR 28 Ca 0.26 -1.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.84 1ckk s THR 28 Cb -0.16 -2.16 0.19 0.00 1.34 0.00 0.00 72.50 71.71 1ckk s THR 28 CO 0.10 0.00 1.96 0.71 -0.54 0.00 0.00 174.62 176.85 1ckk h THR 29 N 0.21 1.15 0.19 3.99 1.35 -1.95 -2.72 112.91 115.12 1ckk h THR 29 Ca -0.30 -0.61 -0.01 0.00 -0.55 0.00 0.00 66.41 64.94 1ckk h THR 29 Cb 1.29 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1ckk h THR 29 CO 0.41 0.20 -0.09 0.50 -0.25 0.00 0.00 175.52 176.29 1ckk h LYS 30 N 0.30 -0.25 -0.04 4.72 1.63 -1.97 -1.41 116.57 119.55 1ckk h LYS 30 Ca 0.07 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1ckk h LYS 30 Cb 0.26 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 1ckk h LYS 30 CO 0.01 0.16 -0.44 0.93 -3.45 0.00 0.00 179.45 176.66 1ckk h GLU 31 N -0.83 -0.50 -0.38 1.90 5.08 -1.88 0.12 114.58 118.10 1ckk h GLU 31 Ca -0.03 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1ckk h GLU 31 Cb 0.52 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1ckk h GLU 31 CO 0.04 -0.33 0.26 1.25 -1.00 0.00 0.00 179.01 179.23 1ckk h LEU 32 N -0.52 0.16 -1.42 1.33 5.85 -1.60 0.15 115.31 119.26 1ckk h LEU 32 Ca 0.02 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1ckk h LEU 32 Cb 0.57 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1ckk h LEU 32 CO -0.31 0.10 -0.29 1.23 -0.34 0.00 0.00 178.44 178.83 1ckk h GLY 33 N 0.18 0.00 0.32 3.75 0.00 0.27 -0.70 103.07 106.88 1ckk h GLY 33 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ckk h GLY 33 CO -0.03 0.00 -0.03 -0.84 0.00 0.00 0.00 176.54 175.64 1ckk h THR 34 N 0.00 1.23 -0.44 4.70 2.02 0.17 -2.36 112.91 118.23 1ckk h THR 34 Ca -0.00 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 1ckk h THR 34 Cb 0.57 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 1ckk h THR 34 CO 0.04 0.33 0.11 0.58 0.37 0.00 0.00 175.52 176.95 1ckk h VAL 35 N -0.78 1.19 -0.35 3.16 2.07 -1.40 -2.09 116.25 118.05 1ckk h VAL 35 Ca -0.01 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1ckk h VAL 35 Cb 0.61 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1ckk h VAL 35 CO 0.01 0.25 -0.14 0.24 0.02 0.00 0.00 177.57 177.96 1ckk h MET 36 N 0.63 0.62 0.00 1.57 2.86 -1.16 -2.36 114.93 117.09 1ckk h MET 36 Ca 0.15 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1ckk h MET 36 Cb 0.23 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1ckk h MET 36 CO -0.00 0.74 -0.29 0.00 1.06 0.00 0.00 176.91 178.41 1ckk h ARG 37 N 0.56 0.00 0.00 1.72 3.08 -0.84 -3.11 114.38 115.80 1ckk h ARG 37 Ca 0.10 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.95 1ckk h ARG 37 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1ckk h ARG 37 CO 0.04 0.29 -0.88 1.03 -1.07 0.00 0.00 179.97 179.38 1ckk h SER 38 N 0.00 0.24 -0.35 7.04 0.87 -0.88 -3.30 113.55 117.17 1ckk h SER 38 Ca -0.00 -0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.43 1ckk h SER 38 Cb 0.90 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 1ckk h SER 38 CO 0.04 1.00 -0.04 -0.07 -0.53 0.00 0.00 176.83 177.23 1ckk h LEU 39 N 0.10 -0.22 0.00 2.23 3.38 -1.41 -3.44 115.31 115.95 1ckk h LEU 39 Ca -0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ckk h LEU 39 Cb 1.51 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1ckk h LEU 39 CO 0.13 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1ckk n GLY 40 N -1.26 0.00 0.00 0.83 0.00 -1.24 -4.85 105.19 98.67 1ckk n GLY 40 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -3.40 1.61 1.13 -1.26 -5.12 117.38 110.34 1ckk n GLN 41 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1ckk n GLN 41 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.25 1ckk n GLN 41 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1ckk s ASN 42 N -0.31 1.81 0.44 1.08 -0.87 -1.26 -4.69 114.94 111.14 1ckk s ASN 42 Ca 0.00 -2.79 -0.22 0.00 -1.57 0.00 0.00 52.86 48.29 1ckk s ASN 42 Cb 0.00 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.25 40.75 1ckk s ASN 42 CO 0.00 -0.21 1.01 -2.16 -2.57 0.00 0.00 177.10 173.17 1ckk s PRO 43 N 0.38 4.06 -0.17 -0.60 0.04 -1.26 -5.04 135.00 132.40 1ckk s PRO 43 Ca 0.28 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.56 1ckk s PRO 43 Cb -0.04 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1ckk s PRO 43 CO -0.14 -0.20 0.13 0.99 0.04 0.00 0.00 177.00 177.83 1ckk s THR 44 N -1.93 5.43 0.33 1.26 2.01 -1.26 -4.97 115.64 116.50 1ckk s THR 44 Ca 0.62 0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.91 1ckk s THR 44 Cb -0.16 -3.44 0.35 0.00 0.01 0.00 0.00 72.50 69.27 1ckk s THR 44 CO 0.20 0.50 1.61 -0.08 -0.69 0.00 0.00 174.62 176.16 1ckk h GLU 45 N 6.08 0.11 0.25 4.92 4.22 -1.96 0.28 114.58 128.47 1ckk h GLU 45 Ca -0.46 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1ckk h GLU 45 Cb 1.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1ckk h GLU 45 CO 0.70 0.07 -0.24 0.00 -2.18 0.00 0.00 179.01 177.36 1ckk h ALA 46 N 1.91 -0.50 -0.96 2.92 0.00 -2.00 -1.57 119.26 119.06 1ckk h ALA 46 Ca 0.69 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.70 1ckk h ALA 46 Cb 1.58 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 19.63 1ckk h ALA 46 CO -0.75 -0.81 0.61 0.93 0.00 0.00 0.00 179.25 179.22 1ckk h GLU 47 N -0.52 0.65 -0.10 0.00 5.08 -0.88 -0.72 114.58 118.09 1ckk h GLU 47 Ca -0.01 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1ckk h GLU 47 Cb 0.48 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1ckk h GLU 47 CO -0.05 0.43 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.24 1ckk h LEU 48 N 0.67 -0.25 -0.73 1.33 3.38 -0.40 -0.65 115.31 118.67 1ckk h LEU 48 Ca 0.52 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.69 1ckk h LEU 48 Cb 0.92 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 1ckk h LEU 48 CO -0.28 -0.11 0.24 -0.61 0.09 0.00 0.00 178.44 177.77 1ckk h GLN 49 N -0.09 0.35 0.00 1.13 5.75 -0.70 1.04 115.11 122.59 1ckk h GLN 49 Ca 0.07 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1ckk h GLN 49 Cb 0.19 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 1ckk h GLN 49 CO -0.15 0.23 -0.10 0.22 -2.65 0.00 0.00 178.83 176.37 1ckk h ASP 50 N 0.36 0.00 0.01 -0.69 3.58 -1.06 -2.13 116.42 116.49 1ckk h ASP 50 Ca 0.40 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.68 1ckk h ASP 50 Cb 0.64 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1ckk h ASP 50 CO -0.44 0.10 -0.94 0.24 -2.88 0.00 0.00 179.24 175.32 1ckk h MET 51 N 0.00 0.02 -0.23 0.28 2.86 0.22 -3.35 114.93 114.73 1ckk h MET 51 Ca -0.00 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1ckk h MET 51 Cb 0.37 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1ckk h MET 51 CO 0.01 1.02 0.18 0.97 1.06 0.00 0.00 176.91 180.15 1ckk h ILE 52 N -0.93 0.81 0.00 -1.22 6.09 0.62 0.22 117.51 123.09 1ckk h ILE 52 Ca -0.25 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 1ckk h ILE 52 Cb 1.27 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1ckk h ILE 52 CO -0.13 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.54 1ckk n ASN 53 N -4.35 0.00 -0.08 2.19 5.03 -0.81 -2.43 115.26 114.82 1ckk n ASN 53 Ca 0.03 -0.01 -0.10 0.00 0.87 0.00 0.00 54.58 55.36 1ckk n ASN 53 Cb 0.32 -0.26 -0.06 0.00 -1.02 0.00 0.00 39.78 38.76 1ckk n ASN 53 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1ckk h GLU 54 N 0.00 0.00 0.00 3.52 5.08 -0.70 -3.36 114.58 119.12 1ckk h GLU 54 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ckk h GLU 54 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ckk h GLU 54 CO 0.00 0.44 -0.09 0.28 -1.00 0.00 0.00 179.01 178.64 1ckk h VAL 55 N -1.00 0.25 0.00 3.13 2.07 -1.63 -3.36 116.25 115.71 1ckk h VAL 55 Ca -0.11 -0.74 -0.39 0.00 0.82 0.00 0.00 66.70 66.28 1ckk h VAL 55 Cb 0.73 1.59 0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1ckk h VAL 55 CO -0.07 0.09 1.98 0.47 0.02 0.00 0.00 177.57 180.07 1ckk n ASP 56 N -3.25 2.61 0.27 0.57 8.00 -1.02 -4.60 116.55 119.14 1ckk n ASP 56 Ca 0.00 -2.36 0.15 0.00 0.71 0.00 0.00 54.79 53.29 1ckk n ASP 56 Cb 0.35 -0.88 0.71 0.00 -0.02 0.00 0.00 41.12 41.28 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ckk h ALA 57 N 7.63 1.61 0.00 2.24 0.00 -1.87 -0.19 119.26 128.68 1ckk h ALA 57 Ca 0.33 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.87 1ckk h ALA 57 Cb 0.33 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1ckk h ALA 57 CO 1.56 -0.51 -2.39 -0.40 0.00 0.00 0.00 179.25 177.52 1ckk n ASP 58 N -3.03 0.56 -0.47 0.00 5.68 -1.26 -5.04 116.55 113.00 1ckk n ASP 58 Ca 0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1ckk n ASP 58 Cb 0.53 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 41.16 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 1.90 0.60 0.11 6.12 0.00 -0.08 -5.02 105.19 108.81 1ckk n GLY 59 Ca -0.35 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1ckk n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ckk n ASN 60 N -0.47 0.57 0.00 1.61 5.03 -1.26 -4.99 115.26 115.74 1ckk n ASN 60 Ca 0.00 -0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.44 1ckk n ASN 60 Cb 0.21 0.56 0.00 0.00 -1.02 0.00 0.00 39.78 39.53 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ckk n GLY 61 N 1.87 1.78 3.15 7.41 0.00 -1.26 -5.09 105.19 113.05 1ckk n GLY 61 Ca -0.35 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.05 0.14 0.41 2.61 -4.23 -1.26 -4.66 115.64 106.60 1ckk s THR 62 Ca 0.00 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1ckk s THR 62 Cb 0.00 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 1ckk s THR 62 CO 0.00 -0.48 0.58 -0.63 -0.54 0.00 0.00 174.62 173.55 1ckk s ILE 63 N -4.02 3.80 0.33 2.99 -1.09 -0.96 -4.76 121.20 117.49 1ckk s ILE 63 Ca 0.24 -0.78 0.07 0.00 -2.23 0.00 0.00 60.65 57.95 1ckk s ILE 63 Cb 0.07 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1ckk s ILE 63 CO 0.02 -0.19 0.29 -1.81 -1.23 0.00 0.00 174.94 172.02 1ckk s ASP 64 N -4.23 1.71 0.15 3.58 1.01 -1.25 -2.29 116.67 115.34 1ckk s ASP 64 Ca 0.48 -1.77 -0.15 0.00 0.71 0.00 0.00 52.55 51.83 1ckk s ASP 64 Cb -0.10 0.57 0.02 0.00 1.01 0.00 0.00 42.92 44.42 1ckk s ASP 64 CO 0.34 -1.08 1.70 0.15 0.21 0.00 0.00 175.17 176.50 1ckk h PHE 65 N 2.12 0.70 -0.19 4.23 3.04 -1.98 -2.29 116.94 122.57 1ckk h PHE 65 Ca -0.25 -0.05 -0.15 0.00 3.98 0.00 0.00 57.97 61.50 1ckk h PHE 65 Cb 1.23 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 1ckk h PHE 65 CO 1.75 0.60 -0.52 -1.00 -2.02 0.00 0.00 178.31 177.12 1ckk h PRO 66 N 0.60 0.55 0.00 6.41 0.13 -1.97 -2.74 132.00 134.98 1ckk h PRO 66 Ca 0.15 -0.33 -0.04 0.00 -0.87 0.00 0.00 66.00 64.91 1ckk h PRO 66 Cb 0.19 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 1ckk h PRO 66 CO -0.01 0.93 -0.19 0.93 -0.23 0.00 0.00 178.00 179.43 1ckk h GLU 67 N 0.43 0.00 0.03 0.86 5.08 -1.91 -2.79 114.58 116.28 1ckk h GLU 67 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ckk h GLU 67 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ckk h GLU 67 CO 0.10 0.19 -0.01 0.35 -1.00 0.00 0.00 179.01 178.63 1ckk h PHE 68 N 0.00 -0.04 -0.44 4.33 3.57 -1.13 -2.67 116.94 120.56 1ckk h PHE 68 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1ckk h PHE 68 Cb 0.35 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 1ckk h PHE 68 CO 0.00 0.56 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.43 1ckk h LEU 69 N -0.67 -0.51 0.57 0.59 -0.00 -1.31 -1.47 115.31 112.51 1ckk h LEU 69 Ca -0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.99 1ckk h LEU 69 Cb 0.61 0.31 0.01 0.00 -0.00 0.00 0.00 40.66 41.59 1ckk h LEU 69 CO 0.01 -0.18 -0.27 0.74 -0.00 0.00 0.00 178.44 178.73 1ckk h THR 70 N -0.04 0.00 -0.54 0.22 2.02 -1.57 -3.09 112.91 109.91 1ckk h THR 70 Ca 0.21 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1ckk h THR 70 Cb 0.37 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.70 1ckk h THR 70 CO -0.48 0.00 -0.44 -0.03 0.37 0.00 0.00 175.52 174.94 1ckk h MET 71 N -0.78 -0.15 -1.67 6.66 1.85 -1.32 2.27 114.93 121.78 1ckk h MET 71 Ca -0.08 0.01 0.52 0.00 -0.61 0.00 0.00 59.70 59.54 1ckk h MET 71 Cb 0.58 0.03 -0.10 0.00 0.43 0.00 0.00 31.60 32.55 1ckk h MET 71 CO 0.13 -0.10 1.16 -0.12 -0.40 0.00 0.00 176.91 177.58 1ckk n MET 72 N -4.75 -0.01 -0.11 0.39 0.00 -0.57 -1.67 117.12 110.39 1ckk n MET 72 Ca -0.01 1.12 -0.22 0.00 0.00 0.00 0.00 57.70 58.59 1ckk n MET 72 Cb 0.23 -2.40 -0.08 0.00 0.00 0.00 0.00 33.22 30.97 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 -2.74 1.57 0.01 -5.12 0.00 0.17 -4.32 120.51 110.08 1ckk n ALA 73 Ca 0.41 -0.88 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 1ckk n ALA 73 Cb 1.77 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 21.38 1ckk n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckk h ARG 74 N -0.66 -0.17 -0.94 0.00 3.08 0.44 -1.33 114.38 114.81 1ckk h ARG 74 Ca -0.55 0.01 0.27 0.00 0.07 0.00 0.00 59.98 59.79 1ckk h ARG 74 Cb 1.53 0.04 -0.17 0.00 0.08 0.00 0.00 29.97 31.46 1ckk h ARG 74 CO -0.30 -0.11 0.17 -0.22 -1.07 0.00 0.00 179.97 178.44 1ckk h LYS 75 N -0.18 0.08 -1.83 0.04 1.63 -1.52 0.33 116.57 115.13 1ckk h LYS 75 Ca 0.00 -0.00 -0.71 0.00 -0.85 0.00 0.00 60.65 59.09 1ckk h LYS 75 Cb 0.19 -0.02 -0.26 0.00 -0.60 0.00 0.00 32.23 31.54 1ckk h LYS 75 CO -0.09 0.05 0.93 -1.33 -3.45 0.00 0.00 179.45 175.56 1ckk n MET 76 N -5.36 2.67 0.00 1.90 2.81 -0.64 -4.24 117.12 114.26 1ckk n MET 76 Ca 0.24 -3.27 0.00 0.00 -1.81 0.00 0.00 57.70 52.86 1ckk n MET 76 Cb 0.79 -2.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 -0.39 0.89 0.00 0.03 4.81 0.12 -4.90 118.16 118.72 1ckk n LYS 77 Ca 0.54 -0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1ckk n LYS 77 Cb 0.35 -0.62 0.00 0.00 0.02 0.00 0.00 35.03 34.78 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 -0.18 0.00 0.00 3.14 2.03 -1.26 -5.03 116.55 115.25 1ckk n ASP 78 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ckk n ASP 78 Cb 0.07 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ckk n THR 79 N -1.90 0.00 -1.89 5.18 -2.24 -1.26 -4.97 114.28 107.20 1ckk n THR 79 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1ckk n THR 79 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1ckk n THR 79 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ckk s ASP 80 N -2.19 4.41 -0.09 3.42 1.11 -1.26 -4.42 116.67 117.65 1ckk s ASP 80 Ca 0.00 -1.43 -0.04 0.00 0.18 0.00 0.00 52.55 51.26 1ckk s ASP 80 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1ckk s ASP 80 CO 0.00 -3.74 -0.11 -0.24 1.18 0.00 0.00 175.17 172.26 1ckk n SER 81 N 16.44 0.93 0.09 0.27 2.88 -1.26 -4.47 113.62 128.50 1ckk n SER 81 Ca 0.44 0.09 0.12 0.00 -1.33 0.00 0.00 58.87 58.18 1ckk n SER 81 Cb 0.47 -0.25 0.05 0.00 -0.75 0.00 0.00 64.21 63.72 1ckk n SER 81 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1ckk h GLU 82 N -0.29 0.00 0.00 -1.46 4.11 -1.96 -3.32 114.58 111.67 1ckk h GLU 82 Ca -0.22 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.18 1ckk h GLU 82 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ckk h GLU 82 CO -0.13 0.00 -0.15 0.93 0.07 0.00 0.00 179.01 179.74 1ckk h GLU 83 N 0.00 0.00 0.00 1.06 5.08 -1.87 -1.56 114.58 117.29 1ckk h GLU 83 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ckk h GLU 83 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1ckk h GLU 83 CO 0.00 0.15 0.00 0.93 -1.00 0.00 0.00 179.01 179.09 1ckk h GLU 84 N 0.00 0.00 -0.23 2.33 4.39 -1.83 -2.46 114.58 116.78 1ckk h GLU 84 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1ckk h GLU 84 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1ckk h GLU 84 CO 0.02 0.00 -0.50 0.82 -1.16 0.00 0.00 179.01 178.19 1ckk h ILE 85 N 0.00 1.31 -0.58 3.13 2.04 -1.51 -2.43 117.51 119.46 1ckk h ILE 85 Ca 0.00 -1.71 0.01 0.00 1.00 0.00 0.00 64.86 64.16 1ckk h ILE 85 Cb 0.30 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1ckk h ILE 85 CO 0.00 0.54 0.38 -0.09 0.00 0.00 0.00 178.15 178.98 1ckk h ARG 86 N 0.50 0.74 0.13 2.37 2.43 -1.58 0.42 114.38 119.39 1ckk h ARG 86 Ca 0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ckk h ARG 86 Cb 1.05 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1ckk h ARG 86 CO 0.10 0.49 -0.06 0.93 -1.51 0.00 0.00 179.97 179.92 1ckk h GLU 87 N 0.76 -0.16 -0.25 0.20 4.39 -1.62 -1.64 114.58 116.26 1ckk h GLU 87 Ca 0.22 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1ckk h GLU 87 Cb -0.07 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1ckk h GLU 87 CO -0.06 0.08 0.15 0.00 -1.16 0.00 0.00 179.01 178.02 1ckk h ALA 88 N 0.45 1.78 -0.51 3.43 0.00 -1.20 -1.60 119.26 121.62 1ckk h ALA 88 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ckk h ALA 88 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ckk h ALA 88 CO 0.03 0.19 0.14 0.35 0.00 0.00 0.00 179.25 179.96 1ckk h PHE 89 N 0.34 0.83 0.00 0.00 3.57 0.24 -1.94 116.94 119.99 1ckk h PHE 89 Ca 0.09 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1ckk h PHE 89 Cb -0.00 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 1ckk h PHE 89 CO 0.00 0.73 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.62 1ckk h ARG 90 N 0.69 0.00 0.13 1.11 2.43 -0.34 -0.29 114.38 118.11 1ckk h ARG 90 Ca 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1ckk h ARG 90 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ckk h ARG 90 CO -0.00 0.10 -0.06 0.28 -1.51 0.00 0.00 179.97 178.78 1ckk h VAL 91 N 0.00 1.03 0.00 0.20 2.07 -0.87 -3.10 116.25 115.58 1ckk h VAL 91 Ca -0.00 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1ckk h VAL 91 Cb 0.20 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1ckk h VAL 91 CO 0.01 0.17 -0.47 -0.26 0.02 0.00 0.00 177.57 177.04 1ckk h PHE 92 N -0.52 0.00 -0.19 1.57 0.04 -1.21 -3.21 116.94 113.42 1ckk h PHE 92 Ca -0.02 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.45 1ckk h PHE 92 Cb 0.41 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.49 1ckk h PHE 92 CO 0.04 0.47 0.29 -3.47 -0.60 0.00 0.00 178.31 175.04 1ckk n ASP 93 N -3.94 5.91 -0.53 2.17 2.03 -0.14 -4.64 116.55 117.42 1ckk n ASP 93 Ca -0.01 -2.62 0.44 0.00 0.52 0.00 0.00 54.79 53.13 1ckk n ASP 93 Cb 0.50 -1.41 0.78 0.00 -0.72 0.00 0.00 41.12 40.27 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 3.27 0.01 0.00 -0.67 3.64 -1.67 0.70 116.57 121.86 1ckk h LYS 94 Ca 0.31 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.45 1ckk h LYS 94 Cb 1.23 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1ckk h LYS 94 CO 0.54 0.01 -0.93 -0.44 -2.27 0.00 0.00 179.45 176.35 1ckk h ASP 95 N 0.01 0.82 0.00 4.20 3.32 -1.90 -3.47 116.42 119.39 1ckk h ASP 95 Ca 0.77 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ckk h ASP 95 Cb 3.04 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 42.34 1ckk h ASP 95 CO -0.03 1.46 0.00 0.61 -1.72 0.00 0.00 179.24 179.56 1ckk n GLY 96 N 1.09 3.20 0.32 2.75 0.00 0.25 -4.90 105.19 107.90 1ckk n GLY 96 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.58 0.00 1.61 -1.07 -1.92 -3.45 115.58 111.33 1ckk h ASN 97 Ca 0.00 0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.48 1ckk h ASN 97 Cb 0.00 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1ckk h ASN 97 CO 0.00 0.20 0.00 0.61 0.07 0.00 0.00 177.43 178.31 1ckk n GLY 98 N -1.33 0.39 3.64 9.14 0.00 -1.26 -5.06 105.19 110.71 1ckk n GLY 98 Ca 0.20 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.10 -0.46 -0.35 1.61 2.02 -1.26 -4.11 117.35 114.70 1ckk s TYR 99 Ca 0.00 1.03 -0.04 0.00 -0.37 0.00 0.00 57.07 57.70 1ckk s TYR 99 Cb 0.00 0.36 0.07 0.00 -0.40 0.00 0.00 41.96 41.99 1ckk s TYR 99 CO 0.00 -0.23 0.11 0.42 -1.57 0.00 0.00 175.55 174.28 1ckk s ILE 100 N 0.64 3.35 0.16 2.71 1.01 -0.45 -4.69 121.20 123.92 1ckk s ILE 100 Ca -0.01 -1.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.04 1ckk s ILE 100 Cb -0.04 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 1ckk s ILE 100 CO -0.10 -0.34 0.41 -0.55 0.00 0.00 0.00 174.94 174.36 1ckk s SER 101 N 1.53 6.52 0.58 3.58 0.15 -1.26 -2.15 113.70 122.66 1ckk s SER 101 Ca 0.00 0.66 0.35 0.00 0.70 0.00 0.00 55.95 57.67 1ckk s SER 101 Cb -0.21 -2.12 1.31 0.00 -1.71 0.00 0.00 66.02 63.29 1ckk s SER 101 CO -0.01 0.03 1.51 0.00 1.20 0.00 0.00 173.24 175.97 1ckk h ALA 102 N 2.81 3.18 -0.13 5.45 0.00 -1.92 1.17 119.26 129.82 1ckk h ALA 102 Ca -0.46 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1ckk h ALA 102 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ckk h ALA 102 CO 0.72 -1.82 -0.33 0.00 0.00 0.00 0.00 179.25 177.82 1ckk h ALA 103 N 0.88 0.22 -0.81 0.00 0.00 -1.99 -2.68 119.26 114.87 1ckk h ALA 103 Ca 0.61 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ckk h ALA 103 Cb 2.92 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 20.65 1ckk h ALA 103 CO -0.01 0.26 0.49 0.93 0.00 0.00 0.00 179.25 180.92 1ckk h GLU 104 N 0.05 1.11 -0.58 0.00 5.08 0.11 -2.15 114.58 118.19 1ckk h GLU 104 Ca -0.00 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ckk h GLU 104 Cb 0.93 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1ckk h GLU 104 CO 0.07 0.78 0.35 -0.07 -1.00 0.00 0.00 179.01 179.14 1ckk h LEU 105 N 1.12 0.55 -1.42 1.33 3.38 -1.38 -0.50 115.31 118.39 1ckk h LEU 105 Ca 0.29 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1ckk h LEU 105 Cb -0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1ckk h LEU 105 CO -0.05 0.38 0.44 -0.09 0.09 0.00 0.00 178.44 179.21 1ckk h ARG 106 N 0.68 0.71 -0.00 1.13 2.43 -1.05 0.99 114.38 119.28 1ckk h ARG 106 Ca 0.24 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1ckk h ARG 106 Cb 0.05 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1ckk h ARG 106 CO -0.11 0.47 -0.18 1.25 -1.51 0.00 0.00 179.97 179.89 1ckk h HIS 107 N 0.73 -0.46 -0.06 2.20 2.76 -0.55 -1.43 115.15 118.36 1ckk h HIS 107 Ca 0.28 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 58.26 1ckk h HIS 107 Cb 0.17 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.33 1ckk h HIS 107 CO -0.00 -0.25 -0.80 0.28 -1.30 0.00 0.00 177.93 175.85 1ckk h VAL 108 N -0.29 1.38 -0.02 5.26 2.07 -1.06 -1.97 116.25 121.63 1ckk h VAL 108 Ca 0.06 -2.24 0.02 0.00 0.82 0.00 0.00 66.70 65.36 1ckk h VAL 108 Cb 0.36 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1ckk h VAL 108 CO -0.17 0.67 -0.50 -0.03 0.02 0.00 0.00 177.57 177.56 1ckk h MET 109 N 0.27 -0.60 0.00 1.57 -1.53 0.16 -0.85 114.93 113.95 1ckk h MET 109 Ca -0.05 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1ckk h MET 109 Cb 1.40 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 32.59 1ckk h MET 109 CO 0.14 -0.40 0.00 1.15 0.14 0.00 0.00 176.91 177.94 1ckk h THR 110 N -0.62 0.00 0.00 -0.77 2.02 -1.23 -2.99 112.91 109.32 1ckk h THR 110 Ca 0.01 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1ckk h THR 110 Cb 0.67 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1ckk h THR 110 CO -0.35 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.13 1ckk n ASN 111 N -2.69 0.76 -0.12 4.18 4.13 -0.66 -3.95 115.26 116.92 1ckk n ASN 111 Ca 0.04 0.62 -0.23 0.00 1.68 0.00 0.00 54.58 56.69 1ckk n ASN 111 Cb 0.45 -0.80 -0.08 0.00 -1.54 0.00 0.00 39.78 37.80 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 -2.26 1.85 0.00 3.41 4.77 -0.42 -3.62 117.00 120.73 1ckk n LEU 112 Ca 0.04 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ckk n LEU 112 Cb 0.34 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1ckk n LEU 112 CO 0.26 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1ckk n GLY 113 N 1.42 0.00 3.74 -0.72 0.00 -1.17 -5.06 105.19 103.40 1ckk n GLY 113 Ca -0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 1ckk n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckk s GLU 114 N 0.00 2.68 -0.48 1.61 2.56 -1.14 -4.99 118.70 118.95 1ckk s GLU 114 Ca 0.00 -1.02 0.08 0.00 0.00 0.00 0.00 54.97 54.03 1ckk s GLU 114 Cb 0.00 -2.49 0.30 0.00 2.00 0.00 0.00 34.13 33.94 1ckk s GLU 114 CO 0.00 0.45 0.74 1.63 -0.56 0.00 0.00 175.26 177.52 1ckk n LYS 115 N -0.44 1.77 -0.99 4.30 5.02 -1.26 -3.15 118.16 123.41 1ckk n LYS 115 Ca -0.09 -3.96 -0.31 0.00 -2.02 0.00 0.00 58.31 51.93 1ckk n LYS 115 Cb 0.56 -1.82 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ckk n LEU 116 N 0.53 -3.15 0.00 -0.35 4.32 -1.26 -4.90 117.00 112.19 1ckk n LEU 116 Ca 0.26 0.50 -0.14 0.00 -0.02 0.00 0.00 56.01 56.61 1ckk n LEU 116 Cb 0.51 -0.68 0.13 0.00 -1.62 0.00 0.00 43.42 41.76 1ckk n LEU 116 CO 0.27 -3.97 0.18 0.41 -1.22 0.00 0.00 177.39 173.06 1ckk n THR 117 N -1.29 0.00 -0.06 -5.08 -1.04 -1.26 -4.78 114.28 100.76 1ckk n THR 117 Ca 0.06 -0.04 -0.03 0.00 -2.04 0.00 0.00 64.05 62.00 1ckk n THR 117 Cb 0.39 -0.57 -0.01 0.00 -1.82 0.00 0.00 70.33 68.31 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 -2.57 0.00 -0.88 8.00 5.19 -1.99 -2.90 116.42 121.27 1ckk h ASP 118 Ca -0.18 -0.04 0.20 0.00 -0.62 0.00 0.00 57.03 56.39 1ckk h ASP 118 Cb 0.60 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.99 1ckk h ASP 118 CO 0.11 0.63 0.39 -0.33 -3.12 0.00 0.00 179.24 176.92 1ckk h GLU 119 N -1.00 0.43 0.35 3.56 4.39 -1.98 0.44 114.58 120.76 1ckk h GLU 119 Ca -0.01 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1ckk h GLU 119 Cb 0.24 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ckk h GLU 119 CO -0.00 0.28 -0.17 1.49 -1.16 0.00 0.00 179.01 179.45 1ckk h GLU 120 N 0.44 -0.45 -0.91 2.33 4.57 -1.94 -0.03 114.58 118.59 1ckk h GLU 120 Ca 0.53 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.80 1ckk h GLU 120 Cb 0.97 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.60 1ckk h GLU 120 CO -0.49 -0.25 0.58 0.28 -1.18 0.00 0.00 179.01 177.95 1ckk h VAL 121 N -0.55 1.10 0.77 0.32 2.07 -0.85 0.67 116.25 119.78 1ckk h VAL 121 Ca -0.05 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1ckk h VAL 121 Cb 0.41 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1ckk h VAL 121 CO 0.08 0.20 -0.37 0.44 0.02 0.00 0.00 177.57 177.94 1ckk h ASP 122 N 1.08 -0.88 -0.89 0.57 3.32 0.09 -2.61 116.42 117.11 1ckk h ASP 122 Ca 0.38 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.57 1ckk h ASP 122 Cb 0.10 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 1ckk h ASP 122 CO -0.15 -0.58 0.57 -0.33 -1.72 0.00 0.00 179.24 177.03 1ckk h GLU 123 N -1.12 0.75 -0.75 3.56 5.08 -0.77 0.32 114.58 121.65 1ckk h GLU 123 Ca -0.11 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1ckk h GLU 123 Cb 0.81 -0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 1ckk h GLU 123 CO 0.17 0.49 0.32 1.98 -1.00 0.00 0.00 179.01 180.98 1ckk h MET 124 N 0.77 0.48 0.02 2.33 4.05 -0.51 -1.22 114.93 120.85 1ckk h MET 124 Ca 0.43 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.82 1ckk h MET 124 Cb 0.59 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1ckk h MET 124 CO -0.20 0.32 -0.01 0.82 0.23 0.00 0.00 176.91 178.07 1ckk h ILE 125 N 0.50 1.20 -0.09 1.77 1.08 -0.73 -3.28 117.51 117.96 1ckk h ILE 125 Ca 0.40 -1.78 0.01 0.00 -0.39 0.00 0.00 64.86 63.09 1ckk h ILE 125 Cb 0.56 2.22 -0.01 0.00 -3.07 0.00 0.00 36.82 36.52 1ckk h ILE 125 CO -0.36 0.39 -0.08 0.03 -0.69 0.00 0.00 178.15 177.43 1ckk h ARG 126 N -0.95 -0.04 -0.95 2.37 -0.00 -0.76 0.50 114.38 114.54 1ckk h ARG 126 Ca -0.00 0.00 0.15 0.00 -0.50 0.00 0.00 59.98 59.63 1ckk h ARG 126 Cb 0.66 0.01 -0.15 0.00 0.00 0.00 0.00 29.97 30.49 1ckk h ARG 126 CO 0.01 -0.03 -0.36 -1.91 0.00 0.00 0.00 179.97 177.67 1ckk n GLU 127 N -3.17 -0.22 -0.08 0.04 4.07 -0.48 0.17 120.64 120.97 1ckk n GLU 127 Ca -0.00 1.47 0.05 0.00 -0.06 0.00 0.00 57.16 58.62 1ckk n GLU 127 Cb 0.05 -2.18 0.40 0.00 -0.06 0.00 0.00 31.44 29.65 1ckk n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ckk h ALA 128 N 1.34 1.72 0.00 4.31 0.00 -1.34 -3.30 119.26 122.00 1ckk h ALA 128 Ca 0.34 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.66 1ckk h ALA 128 Cb 0.57 -0.18 0.08 0.00 0.00 0.00 0.00 17.79 18.27 1ckk h ALA 128 CO -0.95 0.22 1.87 -3.47 0.00 0.00 0.00 179.25 176.92 1ckk n ASP 129 N -4.47 1.94 -0.28 0.00 -0.08 0.44 -4.61 116.55 109.49 1ckk n ASP 129 Ca 0.06 -2.53 -0.04 0.00 -1.51 0.00 0.00 54.79 50.77 1ckk n ASP 129 Cb 0.14 -0.83 0.07 0.00 2.34 0.00 0.00 41.12 42.83 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 4.56 1.20 -0.28 5.18 2.04 -1.75 -2.30 117.51 126.15 1ckk h ILE 130 Ca 0.33 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 1ckk h ILE 130 Cb 0.59 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1ckk h ILE 130 CO 1.88 0.19 -0.33 -2.24 0.00 0.00 0.00 178.15 177.66 1ckk h ASP 131 N 1.04 0.62 -1.42 1.72 2.03 -1.94 -3.48 116.42 114.99 1ckk h ASP 131 Ca 0.28 -0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1ckk h ASP 131 Cb -0.12 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.21 1ckk h ASP 131 CO -0.06 0.90 0.00 0.61 -1.03 0.00 0.00 179.24 179.66 1ckk n GLY 132 N -0.15 0.24 0.00 7.15 0.00 -0.87 -5.04 105.19 106.52 1ckk n GLY 132 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1ckk n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 133 N -0.43 4.57 0.00 1.61 5.68 -1.26 -5.02 116.55 121.70 1ckk n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ckk n ASP 133 Cb 0.19 0.67 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 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 2.55 1.59 3.68 6.12 0.00 -1.26 -5.10 105.19 112.77 1ckk n GLY 134 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.64 0.71 1.61 -2.07 -1.26 -4.74 119.66 115.56 1ckk s GLN 135 Ca 0.00 -1.17 -0.11 0.00 -1.82 0.00 0.00 55.36 52.25 1ckk s GLN 135 Cb 0.00 0.52 0.02 0.00 -1.09 0.00 0.00 33.01 32.46 1ckk s GLN 135 CO 0.00 -0.71 1.10 0.08 -1.32 0.00 0.00 175.29 174.44 1ckk s VAL 136 N -3.95 3.47 0.31 3.63 1.01 -0.91 -4.68 120.40 119.28 1ckk s VAL 136 Ca 0.19 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1ckk s VAL 136 Cb -0.03 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1ckk s VAL 136 CO 0.09 -0.62 0.12 0.21 0.00 0.00 0.00 175.10 174.90 1ckk s ASN 137 N -4.31 1.76 0.01 3.32 3.04 -1.26 -1.34 114.94 116.17 1ckk s ASN 137 Ca 0.58 -1.50 -0.07 0.00 0.04 0.00 0.00 52.86 51.91 1ckk s ASN 137 Cb -0.11 0.28 -0.03 0.00 -1.54 0.00 0.00 41.25 39.84 1ckk s ASN 137 CO 0.52 -0.81 1.10 0.22 -3.04 0.00 0.00 177.10 175.09 1ckk h TYR 138 N 2.18 -0.24 -0.95 0.43 5.03 -1.98 0.19 116.97 121.63 1ckk h TYR 138 Ca -0.36 -0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.10 1ckk h TYR 138 Cb 1.25 0.09 -0.16 0.00 1.55 0.00 0.00 36.73 39.46 1ckk h TYR 138 CO 0.89 -0.13 -0.35 0.93 -1.32 0.00 0.00 178.16 178.17 1ckk h GLU 139 N -0.21 -0.02 0.39 1.82 4.39 -1.98 0.13 114.58 119.10 1ckk h GLU 139 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ckk h GLU 139 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1ckk h GLU 139 CO 0.01 -0.01 -0.42 0.93 -1.16 0.00 0.00 179.01 178.37 1ckk h GLU 140 N -0.02 -0.80 -1.21 2.33 5.08 -1.92 1.83 114.58 119.87 1ckk h GLU 140 Ca 0.36 0.05 0.35 0.00 -1.00 0.00 0.00 59.36 59.12 1ckk h GLU 140 Cb 0.61 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 1ckk h GLU 140 CO -0.96 -0.53 1.09 0.35 -1.00 0.00 0.00 179.01 177.96 1ckk h PHE 141 N -0.83 0.00 0.00 4.33 3.04 0.20 0.66 116.94 124.34 1ckk h PHE 141 Ca -0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1ckk h PHE 141 Cb 0.75 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1ckk h PHE 141 CO -0.24 0.00 -0.55 0.28 -2.02 0.00 0.00 178.31 175.78 1ckk n VAL 142 N -3.66 0.84 -0.10 1.41 0.31 0.20 -3.92 118.33 113.41 1ckk n VAL 142 Ca 0.27 0.30 0.24 0.00 -0.01 0.00 0.00 64.34 65.14 1ckk n VAL 142 Cb 1.46 -1.98 0.48 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.56 0.00 0.05 5.55 5.75 0.31 0.99 115.11 127.19 1ckk h GLN 143 Ca 0.00 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.23 1ckk h GLN 143 Cb 0.55 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 1ckk h GLN 143 CO 0.00 0.00 -1.41 1.98 -2.65 0.00 0.00 178.83 176.75 1ckk h MET 144 N 0.00 0.11 0.00 1.69 4.05 -1.05 -3.36 114.93 116.37 1ckk h MET 144 Ca 0.38 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1ckk h MET 144 Cb 2.42 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 33.30 1ckk h MET 144 CO -0.00 0.94 -1.11 -1.33 0.23 0.00 0.00 176.91 175.63 1ckk n MET 145 N -3.33 0.29 -3.22 0.39 2.81 0.30 -4.82 117.12 109.55 1ckk n MET 145 Ca -0.11 -0.03 -0.05 0.00 -1.81 0.00 0.00 57.70 55.70 1ckk n MET 145 Cb 1.01 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 32.02 1ckk n MET 145 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1ckk s THR 146 N -3.01 -0.77 -0.53 2.03 -1.32 0.89 -4.99 115.64 107.93 1ckk s THR 146 Ca 0.06 -0.45 0.02 0.00 -1.21 0.00 0.00 61.69 60.10 1ckk s THR 146 Cb 0.15 -0.22 0.58 0.00 -1.51 0.00 0.00 72.50 71.50 1ckk s THR 146 CO 0.85 -0.20 1.96 0.00 -2.21 0.00 0.00 174.62 175.01 1ckk n ALA 147 N 4.18 5.88 -0.59 11.08 0.00 -1.26 -4.44 120.51 135.37 1ckk n ALA 147 Ca 0.12 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1ckk n ALA 147 Cb 0.53 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67