#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 1.53 -4.42 0.00 -0.08 -1.26 -5.00 116.55 107.32 1ckk n ASP 2 Ca 0.00 -3.02 -0.44 0.00 -1.51 0.00 0.00 54.79 49.82 1ckk n ASP 2 Cb 0.00 -0.41 -0.08 0.00 2.34 0.00 0.00 41.12 42.98 1ckk n ASP 2 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1ckk s GLN 3 N -2.07 3.03 -0.43 -0.67 0.74 -1.26 -4.92 119.66 114.08 1ckk s GLN 3 Ca 0.29 -1.14 0.04 0.00 0.05 0.00 0.00 55.36 54.61 1ckk s GLN 3 Cb 0.29 -4.09 0.45 0.00 1.10 0.00 0.00 33.01 30.75 1ckk s GLN 3 CO -0.04 -1.03 1.42 -0.11 -0.55 0.00 0.00 175.29 174.98 1ckk n LEU 4 N 5.49 5.69 -2.73 3.68 0.00 -1.26 -4.63 117.00 123.24 1ckk n LEU 4 Ca -0.10 -4.71 -0.01 0.00 0.00 0.00 0.00 56.01 51.18 1ckk n LEU 4 Cb 0.45 -0.55 0.09 0.00 0.00 0.00 0.00 43.42 43.41 1ckk n LEU 4 CO 0.48 1.96 0.30 0.35 0.00 0.00 0.00 177.39 180.48 1ckk n THR 5 N -0.72 0.65 -0.22 1.96 -2.24 -1.26 -4.95 114.28 107.50 1ckk n THR 5 Ca 0.48 -1.97 0.01 0.00 -2.27 0.00 0.00 64.05 60.30 1ckk n THR 5 Cb 0.81 1.15 0.13 0.00 -2.10 0.00 0.00 70.33 70.33 1ckk n THR 5 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ckk h GLU 6 N 1.81 0.45 -0.21 -0.78 4.57 -1.99 -2.70 114.58 115.73 1ckk h GLU 6 Ca -0.29 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.88 1ckk h GLU 6 Cb 1.29 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1ckk h GLU 6 CO 0.00 0.30 -0.20 0.93 -1.18 0.00 0.00 179.01 178.86 1ckk h GLU 7 N 0.47 -0.09 -0.16 1.92 3.07 -1.98 1.85 114.58 119.67 1ckk h GLU 7 Ca 0.34 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.24 1ckk h GLU 7 Cb 0.42 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.28 1ckk h GLU 7 CO -0.31 -0.06 -0.48 1.96 -1.40 0.00 0.00 179.01 178.72 1ckk h GLN 8 N -0.10 -0.50 0.14 2.33 4.20 -1.92 -0.85 115.11 118.41 1ckk h GLN 8 Ca 0.04 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1ckk h GLN 8 Cb 0.19 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1ckk h GLN 8 CO -0.25 -0.34 -0.26 0.82 -0.67 0.00 0.00 178.83 178.14 1ckk h ILE 9 N -0.52 0.44 -0.80 2.54 2.04 -1.06 -2.25 117.51 117.89 1ckk h ILE 9 Ca 0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.10 1ckk h ILE 9 Cb 0.65 0.44 -0.15 0.00 -0.74 0.00 0.00 36.82 37.02 1ckk h ILE 9 CO -0.43 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 177.63 1ckk h ALA 10 N 0.24 0.70 -0.28 1.87 0.00 0.34 0.29 119.26 122.43 1ckk h ALA 10 Ca 0.02 0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1ckk h ALA 10 Cb 0.49 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1ckk h ALA 10 CO -0.13 -0.43 0.02 0.93 0.00 0.00 0.00 179.25 179.63 1ckk h GLU 11 N 0.04 0.10 -0.73 0.00 5.08 -0.60 -1.75 114.58 116.72 1ckk h GLU 11 Ca 0.42 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.72 1ckk h GLU 11 Cb 0.71 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1ckk h GLU 11 CO -0.76 0.07 0.26 0.74 -1.00 0.00 0.00 179.01 178.31 1ckk h PHE 12 N 0.11 1.16 -0.09 4.33 0.04 -0.26 -2.22 116.94 120.00 1ckk h PHE 12 Ca 0.13 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.83 1ckk h PHE 12 Cb 0.16 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 1ckk h PHE 12 CO -0.20 0.90 -0.16 0.87 -0.60 0.00 0.00 178.31 179.12 1ckk h LYS 13 N 1.07 -0.22 -0.06 1.51 1.57 0.14 0.14 116.57 120.72 1ckk h LYS 13 Ca 0.24 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1ckk h LYS 13 Cb 0.27 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ckk h LYS 13 CO -0.01 -0.15 0.04 1.49 -0.57 0.00 0.00 179.45 180.25 1ckk h GLU 14 N -0.23 0.07 0.03 3.15 4.57 -1.17 -0.64 114.58 120.35 1ckk h GLU 14 Ca 0.08 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1ckk h GLU 14 Cb 0.34 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1ckk h GLU 14 CO -0.22 0.05 -0.01 0.00 -1.18 0.00 0.00 179.01 177.65 1ckk h ALA 15 N 1.96 -0.03 -0.56 2.92 0.00 -0.32 0.15 119.26 123.37 1ckk h ALA 15 Ca 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ckk h ALA 15 Cb -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ckk h ALA 15 CO -0.00 -0.29 0.18 0.35 0.00 0.00 0.00 179.25 179.49 1ckk h PHE 16 N -0.50 0.85 0.00 0.00 3.57 -0.40 -0.50 116.94 119.97 1ckk h PHE 16 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1ckk h PHE 16 Cb 0.47 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1ckk h PHE 16 CO 0.08 0.69 0.00 0.77 -2.23 0.00 0.00 178.31 177.62 1ckk h SER 17 N 0.82 0.00 -0.02 0.41 0.02 -1.08 -2.88 113.55 110.81 1ckk h SER 17 Ca 0.19 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1ckk h SER 17 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1ckk h SER 17 CO -0.01 0.00 -0.15 0.25 -1.14 0.00 0.00 176.83 175.78 1ckk h LEU 18 N 0.00 0.16 -0.11 5.07 6.46 0.74 -3.33 115.31 124.30 1ckk h LEU 18 Ca 0.00 -0.70 -0.04 0.00 -0.12 0.00 0.00 57.88 57.02 1ckk h LEU 18 Cb 0.59 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1ckk h LEU 18 CO 0.00 0.84 -0.10 -0.26 -0.62 0.00 0.00 178.44 178.31 1ckk h PHE 19 N -0.50 0.30 -0.89 1.25 0.04 -1.51 -3.40 116.94 112.24 1ckk h PHE 19 Ca -0.01 -0.09 -0.27 0.00 2.80 0.00 0.00 57.97 60.40 1ckk h PHE 19 Cb 0.85 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1ckk h PHE 19 CO 0.16 0.66 0.99 -3.47 -0.60 0.00 0.00 178.31 176.05 1ckk n ASP 20 N -4.65 1.76 0.06 2.17 -0.08 -1.09 -4.52 116.55 110.21 1ckk n ASP 20 Ca -0.07 -0.88 -0.13 0.00 -1.51 0.00 0.00 54.79 52.20 1ckk n ASP 20 Cb 0.32 -1.52 -0.06 0.00 2.34 0.00 0.00 41.12 42.21 1ckk n ASP 20 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ckk h LYS 21 N 15.79 -0.50 0.02 -0.67 1.79 -1.84 -2.58 116.57 128.58 1ckk h LYS 21 Ca -0.11 0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.18 1ckk h LYS 21 Cb 1.15 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 1ckk h LYS 21 CO 1.14 -0.33 -0.94 0.38 -1.08 0.00 0.00 179.45 178.61 1ckk h ASP 22 N -0.52 0.34 -0.28 0.86 2.03 -1.94 -3.48 116.42 113.44 1ckk h ASP 22 Ca 0.05 -0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 1ckk h ASP 22 Cb 0.60 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1ckk h ASP 22 CO -0.28 1.11 0.00 0.61 -1.03 0.00 0.00 179.24 179.65 1ckk n GLY 23 N 0.99 0.92 1.14 7.15 0.00 -0.97 -4.99 105.19 109.43 1ckk n GLY 23 Ca -0.05 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.29 3.33 -1.30 1.61 5.75 -1.26 -4.92 116.55 120.05 1ckk n ASP 24 Ca 0.00 -1.99 -0.07 0.00 -0.01 0.00 0.00 54.79 52.73 1ckk n ASP 24 Cb 0.12 -0.38 0.02 0.00 -1.03 0.00 0.00 41.12 39.85 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 0.44 3.11 6.12 0.00 -1.26 -5.03 105.19 110.07 1ckk n GLY 25 Ca 0.21 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.96 -0.84 -0.19 2.61 -4.23 -1.25 -4.51 115.64 104.27 1ckk s THR 26 Ca 0.14 -0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 1ckk s THR 26 Cb -0.06 -0.91 -0.02 0.00 1.34 0.00 0.00 72.50 72.84 1ckk s THR 26 CO 0.18 -0.04 0.73 -0.63 -0.54 0.00 0.00 174.62 174.32 1ckk s ILE 27 N 2.74 4.95 0.33 2.99 1.01 -1.02 -4.75 121.20 127.44 1ckk s ILE 27 Ca 0.15 1.40 0.07 0.00 0.00 0.00 0.00 60.65 62.26 1ckk s ILE 27 Cb -0.15 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1ckk s ILE 27 CO -0.19 0.06 0.45 0.42 0.00 0.00 0.00 174.94 175.68 1ckk s THR 28 N 2.10 4.12 0.38 2.92 -4.23 -1.26 -2.64 115.64 117.03 1ckk s THR 28 Ca 0.33 -1.02 0.26 0.00 -1.18 0.00 0.00 61.69 60.08 1ckk s THR 28 Cb -0.16 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.53 1ckk s THR 28 CO 0.11 -0.17 2.03 0.71 -0.54 0.00 0.00 174.62 176.75 1ckk h THR 29 N 0.94 0.62 -0.05 3.99 1.35 -1.95 -2.57 112.91 115.23 1ckk h THR 29 Ca -0.46 -0.65 -0.12 0.00 -0.55 0.00 0.00 66.41 64.63 1ckk h THR 29 Cb 1.25 1.41 0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1ckk h THR 29 CO 0.54 0.14 -0.44 0.50 -0.25 0.00 0.00 175.52 176.01 1ckk h LYS 30 N 0.00 0.39 0.33 4.72 3.11 -1.99 -2.22 116.57 120.90 1ckk h LYS 30 Ca -0.00 -0.35 -0.02 0.00 -2.81 0.00 0.00 60.65 57.47 1ckk h LYS 30 Cb 0.40 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1ckk h LYS 30 CO 0.02 1.00 -0.16 0.93 -2.81 0.00 0.00 179.45 178.44 1ckk h GLU 31 N -0.11 -0.42 -0.81 1.90 5.08 -1.84 -2.64 114.58 115.74 1ckk h GLU 31 Ca -0.04 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.54 1ckk h GLU 31 Cb 1.12 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 1ckk h GLU 31 CO 0.09 -0.28 0.22 1.25 -1.00 0.00 0.00 179.01 179.28 1ckk h LEU 32 N -0.50 0.03 -0.45 1.33 5.85 -1.62 0.28 115.31 120.22 1ckk h LEU 32 Ca -0.05 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1ckk h LEU 32 Cb 0.34 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 1ckk h LEU 32 CO 0.07 -0.07 -0.35 1.23 -0.34 0.00 0.00 178.44 178.98 1ckk h GLY 33 N 0.26 -0.28 1.38 3.75 0.00 -1.33 0.34 103.07 107.20 1ckk h GLY 33 Ca 0.48 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 48.25 1ckk h GLY 33 CO -0.57 -0.20 0.33 -0.84 0.00 0.00 0.00 176.54 175.26 1ckk h THR 34 N -0.24 1.18 -0.51 4.70 2.02 -0.61 -2.13 112.91 117.32 1ckk h THR 34 Ca 0.18 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1ckk h THR 34 Cb 0.55 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1ckk h THR 34 CO -0.59 0.20 0.23 0.58 0.37 0.00 0.00 175.52 176.31 1ckk h VAL 35 N 0.82 1.20 0.00 3.16 2.07 0.62 -2.11 116.25 122.01 1ckk h VAL 35 Ca 0.21 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1ckk h VAL 35 Cb 0.01 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1ckk h VAL 35 CO -0.04 0.23 -0.28 0.24 0.02 0.00 0.00 177.57 177.74 1ckk h MET 36 N 0.68 0.00 0.00 1.57 2.86 -0.20 -2.46 114.93 117.37 1ckk h MET 36 Ca 0.17 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 1ckk h MET 36 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1ckk h MET 36 CO -0.02 0.28 -0.59 -0.09 1.06 0.00 0.00 176.91 177.55 1ckk h ARG 37 N 0.00 0.00 -0.18 1.72 9.65 -0.77 -3.23 114.38 121.57 1ckk h ARG 37 Ca -0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1ckk h ARG 37 Cb 0.54 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1ckk h ARG 37 CO 0.04 0.59 0.05 0.77 2.80 0.00 0.00 179.97 184.22 1ckk h SER 38 N 0.00 0.05 -0.10 -3.80 0.02 -0.91 -1.06 113.55 107.77 1ckk h SER 38 Ca -0.01 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1ckk h SER 38 Cb 1.08 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ckk h SER 38 CO 0.08 0.06 0.16 -0.07 -1.14 0.00 0.00 176.83 175.91 1ckk h LEU 39 N 0.14 0.00 0.00 5.07 3.38 -1.63 -3.46 115.31 118.81 1ckk h LEU 39 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ckk h LEU 39 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ckk h LEU 39 CO -0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1ckk n GLY 40 N -1.30 0.76 0.78 0.83 0.00 -0.40 -4.96 105.19 100.90 1ckk n GLY 40 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 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 0.19 -3.46 1.61 1.13 -1.25 -5.05 117.38 110.56 1ckk n GLN 41 Ca 0.00 -0.57 -0.27 0.00 -1.94 0.00 0.00 57.00 54.22 1ckk n GLN 41 Cb 0.00 0.60 -0.10 0.00 0.11 0.00 0.00 30.24 30.85 1ckk n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1ckk n ASN 42 N -1.65 0.28 -4.74 1.08 3.02 -1.26 -4.70 115.26 107.28 1ckk n ASN 42 Ca -0.01 -2.57 -0.41 0.00 -0.03 0.00 0.00 54.58 51.56 1ckk n ASN 42 Cb 0.13 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.67 1ckk n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ckk s PRO 43 N -0.38 4.49 0.03 3.52 0.04 -1.26 -5.03 135.00 136.40 1ckk s PRO 43 Ca 0.32 1.91 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 1ckk s PRO 43 Cb 0.04 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 1ckk s PRO 43 CO -0.18 -0.08 0.26 0.99 0.04 0.00 0.00 177.00 178.02 1ckk s THR 44 N -0.19 5.32 0.22 1.26 2.01 -1.26 -4.97 115.64 118.02 1ckk s THR 44 Ca 0.52 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.46 1ckk s THR 44 Cb -0.33 -3.58 0.21 0.00 0.01 0.00 0.00 72.50 68.81 1ckk s THR 44 CO 0.38 0.29 1.67 -0.33 -0.69 0.00 0.00 174.62 175.94 1ckk h GLU 45 N 3.72 0.15 -0.37 4.92 5.08 -1.99 0.36 114.58 126.46 1ckk h GLU 45 Ca -0.49 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.92 1ckk h GLU 45 Cb 1.19 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1ckk h GLU 45 CO 0.68 0.10 0.07 0.00 -1.00 0.00 0.00 179.01 178.86 1ckk h ALA 46 N 1.57 0.39 -0.21 3.43 0.00 -2.01 -1.14 119.26 121.30 1ckk h ALA 46 Ca 0.34 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 1ckk h ALA 46 Cb 0.56 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ckk h ALA 46 CO -0.52 -0.33 -0.09 0.93 0.00 0.00 0.00 179.25 179.23 1ckk h GLU 47 N 0.19 0.33 0.10 0.00 5.08 -1.51 -2.51 114.58 116.26 1ckk h GLU 47 Ca 0.18 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ckk h GLU 47 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ckk h GLU 47 CO -0.23 0.43 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.09 1ckk h LEU 48 N 0.31 -0.11 -1.10 1.33 3.38 0.25 0.16 115.31 119.53 1ckk h LEU 48 Ca 0.06 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ckk h LEU 48 Cb 0.36 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1ckk h LEU 48 CO 0.02 -0.03 0.20 -0.61 0.09 0.00 0.00 178.44 178.11 1ckk h GLN 49 N -0.19 0.84 -0.06 1.13 5.75 -1.28 -2.04 115.11 119.27 1ckk h GLN 49 Ca -0.01 -0.14 -0.13 0.00 -0.15 0.00 0.00 58.65 58.21 1ckk h GLN 49 Cb 0.15 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1ckk h GLN 49 CO 0.02 0.71 -0.55 0.22 -2.65 0.00 0.00 178.83 176.58 1ckk h ASP 50 N 0.82 0.20 -0.06 -0.69 1.82 -1.13 0.61 116.42 117.99 1ckk h ASP 50 Ca 0.19 -0.11 -0.13 0.00 -0.39 0.00 0.00 57.03 56.59 1ckk h ASP 50 Cb 0.21 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1ckk h ASP 50 CO -0.01 0.72 -0.40 0.24 -1.61 0.00 0.00 179.24 178.17 1ckk h MET 51 N 0.14 0.58 0.00 0.28 2.86 -0.07 -2.88 114.93 115.84 1ckk h MET 51 Ca -0.00 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1ckk h MET 51 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1ckk h MET 51 CO 0.08 0.88 -0.58 -0.89 1.06 0.00 0.00 176.91 177.46 1ckk n ILE 52 N -4.03 0.13 -0.23 -1.22 5.41 -0.83 -3.81 119.36 114.79 1ckk n ILE 52 Ca -0.02 -0.11 0.05 0.00 1.00 0.00 0.00 62.75 63.67 1ckk n ILE 52 Cb 0.52 0.11 0.31 0.00 -0.71 0.00 0.00 39.64 39.86 1ckk n ILE 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1ckk h ASN 53 N 0.00 0.76 0.37 4.38 -0.73 -0.64 0.54 115.58 120.26 1ckk h ASN 53 Ca 0.00 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.86 1ckk h ASN 53 Cb 0.60 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.99 1ckk h ASN 53 CO 0.00 0.50 -1.83 -0.62 -0.37 0.00 0.00 177.43 175.10 1ckk n GLU 54 N -4.48 0.67 0.12 6.67 1.02 -1.25 -4.11 120.64 119.27 1ckk n GLU 54 Ca 0.12 0.27 -0.01 0.00 -0.02 0.00 0.00 57.16 57.51 1ckk n GLU 54 Cb 0.20 -1.75 0.23 0.00 -0.02 0.00 0.00 31.44 30.10 1ckk n GLU 54 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ckk h VAL 55 N 0.02 1.34 0.00 2.62 2.07 -1.58 -3.22 116.25 117.49 1ckk h VAL 55 Ca -0.34 -1.65 -0.15 0.00 0.82 0.00 0.00 66.70 65.38 1ckk h VAL 55 Cb 2.03 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 33.57 1ckk h VAL 55 CO 0.08 0.48 -0.23 -0.67 0.02 0.00 0.00 177.57 177.24 1ckk n ASP 56 N -3.98 4.42 -0.51 0.57 2.03 0.15 -4.58 116.55 114.66 1ckk n ASP 56 Ca -0.02 -2.32 0.44 0.00 0.52 0.00 0.00 54.79 53.42 1ckk n ASP 56 Cb 0.51 -1.18 0.78 0.00 -0.72 0.00 0.00 41.12 40.51 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 3.36 3.48 0.75 -1.67 0.00 -1.83 -0.45 119.26 122.91 1ckk h ALA 57 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ckk h ALA 57 Cb 1.25 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ckk h ALA 57 CO 0.26 -1.95 -0.36 0.22 0.00 0.00 0.00 179.25 177.42 1ckk h ASP 58 N 0.00 -0.86 0.00 0.00 3.58 -1.93 -3.48 116.42 113.74 1ckk h ASP 58 Ca 0.74 0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.22 1ckk h ASP 58 Cb 3.02 0.22 0.00 0.00 1.72 0.00 0.00 39.33 44.29 1ckk h ASP 58 CO -0.01 -0.57 0.00 0.61 -2.88 0.00 0.00 179.24 176.39 1ckk n GLY 59 N -1.23 1.88 0.01 -0.78 0.00 -0.18 -5.01 105.19 99.88 1ckk n GLY 59 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1ckk n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 60 N 0.00 0.55 0.00 1.61 0.23 -1.26 -4.98 115.26 111.41 1ckk n ASN 60 Ca 0.00 -0.48 0.00 0.00 -0.53 0.00 0.00 54.58 53.57 1ckk n ASN 60 Cb 0.00 1.35 0.00 0.00 -2.08 0.00 0.00 39.78 39.05 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ckk n GLY 61 N 1.39 2.63 3.82 4.83 0.00 -1.26 -5.05 105.19 111.54 1ckk n GLY 61 Ca 0.01 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.67 4.19 0.20 2.61 -4.23 -1.26 -4.93 115.64 110.55 1ckk s THR 62 Ca 0.00 -1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 1ckk s THR 62 Cb 0.00 -3.32 -0.08 0.00 1.34 0.00 0.00 72.50 70.44 1ckk s THR 62 CO 0.00 -0.32 0.70 -0.63 -0.54 0.00 0.00 174.62 173.83 1ckk s ILE 63 N -2.18 4.61 0.33 2.99 -1.09 -1.08 -4.84 121.20 119.93 1ckk s ILE 63 Ca 0.34 1.23 0.08 0.00 -2.23 0.00 0.00 60.65 60.07 1ckk s ILE 63 Cb -0.07 -3.85 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 1ckk s ILE 63 CO 0.25 0.23 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.50 1ckk s ASP 64 N -1.63 3.36 0.20 3.58 2.15 -1.26 -2.44 116.67 120.64 1ckk s ASP 64 Ca 0.41 -1.21 -0.11 0.00 0.43 0.00 0.00 52.55 52.07 1ckk s ASP 64 Cb -0.17 -0.28 0.17 0.00 -0.30 0.00 0.00 42.92 42.34 1ckk s ASP 64 CO 0.21 -0.28 1.85 0.15 -0.17 0.00 0.00 175.17 176.93 1ckk h PHE 65 N 2.10 0.82 -0.01 -5.34 3.57 -1.99 -1.70 116.94 114.39 1ckk h PHE 65 Ca -0.41 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 60.97 1ckk h PHE 65 Cb 1.24 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1ckk h PHE 65 CO 0.73 0.49 -0.64 -1.00 -2.23 0.00 0.00 178.31 175.65 1ckk h PRO 66 N 0.87 0.03 -0.26 6.41 0.13 -1.98 -2.83 132.00 134.37 1ckk h PRO 66 Ca 0.27 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.30 1ckk h PRO 66 Cb -0.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 1ckk h PRO 66 CO -0.09 0.66 -0.15 0.93 -0.23 0.00 0.00 178.00 179.12 1ckk h GLU 67 N 0.02 0.56 -0.45 0.86 5.08 -1.79 -2.52 114.58 116.34 1ckk h GLU 67 Ca -0.01 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1ckk h GLU 67 Cb 1.14 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1ckk h GLU 67 CO 0.09 0.82 0.27 0.35 -1.00 0.00 0.00 179.01 179.53 1ckk h PHE 68 N 0.28 0.60 -0.65 4.33 3.57 -1.30 -2.09 116.94 121.68 1ckk h PHE 68 Ca 0.05 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1ckk h PHE 68 Cb 0.67 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1ckk h PHE 68 CO 0.06 0.43 0.43 -0.07 -2.23 0.00 0.00 178.31 176.93 1ckk h LEU 69 N 0.60 0.72 -0.95 0.59 3.38 -1.45 -1.46 115.31 116.73 1ckk h LEU 69 Ca 0.16 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1ckk h LEU 69 Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ckk h LEU 69 CO -0.03 0.51 -0.41 0.71 0.09 0.00 0.00 178.44 179.31 1ckk h THR 70 N 0.84 0.98 0.34 0.22 1.35 -0.97 -3.15 112.91 112.52 1ckk h THR 70 Ca 0.25 -1.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.51 1ckk h THR 70 Cb -0.04 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1ckk h THR 70 CO -0.06 0.40 -0.16 -0.03 -0.25 0.00 0.00 175.52 175.42 1ckk h MET 71 N 0.00 -0.43 -0.04 4.72 1.85 -0.62 -1.43 114.93 118.98 1ckk h MET 71 Ca -0.00 0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.13 1ckk h MET 71 Cb 0.90 0.10 -0.00 0.00 0.43 0.00 0.00 31.60 33.03 1ckk h MET 71 CO 0.05 -0.29 0.49 0.52 -0.40 0.00 0.00 176.91 177.28 1ckk h MET 72 N -0.90 0.00 0.00 0.39 2.07 -1.59 0.80 114.93 115.70 1ckk h MET 72 Ca -0.05 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.53 1ckk h MET 72 Cb 0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.07 1ckk h MET 72 CO 0.08 0.00 -1.35 0.00 1.07 0.00 0.00 176.91 176.71 1ckk n ALA 73 N -1.85 2.40 0.01 6.32 0.00 -1.17 -3.89 120.51 122.33 1ckk n ALA 73 Ca -0.01 -0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.14 1ckk n ALA 73 Cb 0.54 -0.97 -0.14 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 -2.65 0.65 0.08 0.00 1.74 0.24 -4.30 116.66 112.43 1ckk n ARG 74 Ca -0.04 -0.15 -0.15 0.00 -0.77 0.00 0.00 57.85 56.75 1ckk n ARG 74 Cb 0.64 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 1ckk n ARG 74 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1ckk h LYS 75 N 0.00 0.39 -1.61 5.56 1.63 -0.73 -3.24 116.57 118.59 1ckk h LYS 75 Ca -0.00 -0.47 -0.37 0.00 -0.85 0.00 0.00 60.65 58.95 1ckk h LYS 75 Cb 1.01 0.15 -0.15 0.00 -0.60 0.00 0.00 32.23 32.63 1ckk h LYS 75 CO 0.00 1.15 0.42 -1.33 -3.45 0.00 0.00 179.45 176.24 1ckk n MET 76 N -3.70 1.97 -0.12 1.90 2.81 -1.25 -4.33 117.12 114.39 1ckk n MET 76 Ca -0.08 -1.80 -0.25 0.00 -1.81 0.00 0.00 57.70 53.76 1ckk n MET 76 Cb 0.89 -1.76 -0.10 0.00 -0.71 0.00 0.00 33.22 31.54 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 0.43 0.57 -2.66 0.03 3.00 -1.22 -4.95 118.16 113.36 1ckk n LYS 77 Ca 0.36 0.35 -0.03 0.00 -0.00 0.00 0.00 58.31 58.99 1ckk n LYS 77 Cb 0.58 -1.56 0.10 0.00 0.00 0.00 0.00 35.03 34.15 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ckk n ASP 78 N -4.33 -1.18 0.00 3.14 2.03 -1.26 -5.09 116.55 109.86 1ckk n ASP 78 Ca -0.44 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.07 1ckk n ASP 78 Cb 0.78 1.12 0.00 0.00 -0.72 0.00 0.00 41.12 42.31 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 0.39 0.00 -3.11 5.18 -2.24 -1.26 -5.01 114.28 108.23 1ckk n THR 79 Ca -0.08 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.25 1ckk n THR 79 Cb 0.75 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.00 6.65 -0.09 3.42 1.11 -1.26 -4.86 116.67 122.63 1ckk s ASP 80 Ca 0.00 -2.26 -0.04 0.00 0.18 0.00 0.00 52.55 50.43 1ckk s ASP 80 Cb 0.00 -2.31 -0.01 0.00 1.07 0.00 0.00 42.92 41.66 1ckk s ASP 80 CO 0.00 -0.87 -0.08 0.28 1.18 0.00 0.00 175.17 175.68 1ckk h SER 81 N 8.43 0.00 -0.00 0.27 0.02 -1.95 -3.37 113.55 116.95 1ckk h SER 81 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ckk h SER 81 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1ckk h SER 81 CO 0.96 0.47 -0.95 -1.84 -1.14 0.00 0.00 176.83 174.32 1ckk n GLU 82 N -3.92 0.21 0.00 3.45 0.28 -1.26 -4.18 120.64 115.21 1ckk n GLU 82 Ca -0.03 -0.05 0.13 0.00 -0.16 0.00 0.00 57.16 57.05 1ckk n GLU 82 Cb 0.12 -1.48 0.45 0.00 1.43 0.00 0.00 31.44 31.96 1ckk n GLU 82 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1ckk n GLU 83 N -1.42 0.03 0.05 3.44 0.28 -1.26 -3.60 120.64 118.17 1ckk n GLU 83 Ca 0.04 -0.01 -0.03 0.00 -0.16 0.00 0.00 57.16 57.00 1ckk n GLU 83 Cb 0.33 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.62 1ckk n GLU 83 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1ckk h GLU 84 N 0.03 0.00 -0.13 3.44 4.11 -1.73 -3.30 114.58 116.99 1ckk h GLU 84 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1ckk h GLU 84 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ckk h GLU 84 CO 0.00 0.53 -0.74 0.82 0.07 0.00 0.00 179.01 179.69 1ckk h ILE 85 N 0.00 1.31 -0.39 -1.06 2.04 -1.79 -2.73 117.51 114.90 1ckk h ILE 85 Ca -0.12 -2.01 0.08 0.00 1.00 0.00 0.00 64.86 63.81 1ckk h ILE 85 Cb 1.66 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 39.72 1ckk h ILE 85 CO 0.08 0.63 0.27 -0.09 0.00 0.00 0.00 178.15 179.03 1ckk h ARG 86 N 0.45 0.17 0.56 2.37 2.43 -1.66 0.03 114.38 118.72 1ckk h ARG 86 Ca -0.04 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1ckk h ARG 86 Cb 1.35 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1ckk h ARG 86 CO 0.14 0.11 -0.27 0.93 -1.51 0.00 0.00 179.97 179.38 1ckk h GLU 87 N 0.17 -0.72 -0.59 0.20 3.07 -1.57 0.18 114.58 115.33 1ckk h GLU 87 Ca 0.18 0.05 0.17 0.00 -0.50 0.00 0.00 59.36 59.26 1ckk h GLU 87 Cb 0.48 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1ckk h GLU 87 CO -0.03 -0.44 0.42 0.00 -1.40 0.00 0.00 179.01 177.57 1ckk h ALA 88 N -1.02 2.55 -0.01 3.43 0.00 -1.24 0.47 119.26 123.42 1ckk h ALA 88 Ca -0.08 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1ckk h ALA 88 Cb 0.62 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ckk h ALA 88 CO 0.13 -0.71 -0.74 0.35 0.00 0.00 0.00 179.25 178.27 1ckk h PHE 89 N 0.01 0.16 0.00 0.00 3.57 -0.80 -2.26 116.94 117.62 1ckk h PHE 89 Ca 0.28 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1ckk h PHE 89 Cb 1.11 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1ckk h PHE 89 CO -0.00 0.81 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.70 1ckk h ARG 90 N 0.07 0.00 0.00 1.11 2.43 0.20 -2.07 114.38 116.13 1ckk h ARG 90 Ca -0.02 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 1ckk h ARG 90 Cb 1.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1ckk h ARG 90 CO 0.11 0.10 -1.69 0.28 -1.51 0.00 0.00 179.97 177.26 1ckk n VAL 91 N -3.32 1.46 0.08 0.20 0.31 -0.87 -4.09 118.33 112.11 1ckk n VAL 91 Ca -0.00 -0.77 -0.06 0.00 -0.01 0.00 0.00 64.34 63.50 1ckk n VAL 91 Cb 0.31 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.30 1ckk n VAL 91 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1ckk h PHE 92 N 0.00 0.01 -2.02 3.52 0.04 -1.17 -3.34 116.94 113.98 1ckk h PHE 92 Ca -0.27 -0.00 -0.79 0.00 2.80 0.00 0.00 57.97 59.71 1ckk h PHE 92 Cb 1.91 -0.00 -0.22 0.00 2.20 0.00 0.00 35.95 39.83 1ckk h PHE 92 CO 0.00 0.90 1.44 -3.47 -0.60 0.00 0.00 178.31 176.58 1ckk n ASP 93 N -3.48 7.09 -0.57 2.17 -0.08 -0.80 -4.54 116.55 116.35 1ckk n ASP 93 Ca -0.00 -3.43 0.46 0.00 -1.51 0.00 0.00 54.79 50.31 1ckk n ASP 93 Cb 0.85 -1.27 0.74 0.00 2.34 0.00 0.00 41.12 43.78 1ckk n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ckk h LYS 94 N 4.74 0.00 0.21 -0.67 1.79 -1.78 1.26 116.57 122.11 1ckk h LYS 94 Ca 0.49 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.62 1ckk h LYS 94 Cb 0.41 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1ckk h LYS 94 CO 1.34 0.00 -1.61 -0.44 -1.08 0.00 0.00 179.45 177.66 1ckk h ASP 95 N 0.00 0.69 -0.32 0.86 3.32 -1.92 -3.48 116.42 115.57 1ckk h ASP 95 Ca 0.81 -0.88 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1ckk h ASP 95 Cb 3.43 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 42.75 1ckk h ASP 95 CO -0.01 1.72 -0.07 0.61 -1.72 0.00 0.00 179.24 179.78 1ckk n GLY 96 N 1.78 0.37 0.12 2.75 0.00 0.43 -4.95 105.19 105.69 1ckk n GLY 96 Ca -0.20 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 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 0.33 0.00 1.61 -1.07 -1.93 -3.48 115.58 111.04 1ckk h ASN 97 Ca -0.07 -0.83 0.00 0.00 0.07 0.00 0.00 56.30 55.47 1ckk h ASN 97 Cb 0.76 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.90 1ckk h ASN 97 CO 0.08 1.61 0.00 0.61 0.07 0.00 0.00 177.43 179.81 1ckk n GLY 98 N 1.73 0.00 3.63 9.14 0.00 -1.26 -5.16 105.19 113.27 1ckk n GLY 98 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.82 -0.25 1.61 2.02 -1.26 -4.70 117.35 113.95 1ckk s TYR 99 Ca 0.00 1.88 -0.10 0.00 -0.37 0.00 0.00 57.07 58.47 1ckk s TYR 99 Cb 0.00 0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.89 1ckk s TYR 99 CO 0.00 -0.40 0.15 0.42 -1.57 0.00 0.00 175.55 174.15 1ckk s ILE 100 N 0.74 5.18 -0.08 2.71 1.01 0.44 -4.85 121.20 126.34 1ckk s ILE 100 Ca -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 1ckk s ILE 100 Cb -0.05 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1ckk s ILE 100 CO -0.06 0.32 0.04 -0.94 0.00 0.00 0.00 174.94 174.30 1ckk s SER 101 N 1.29 5.53 0.46 3.58 1.04 -1.26 -1.32 113.70 123.01 1ckk s SER 101 Ca 0.07 0.21 0.33 0.00 0.48 0.00 0.00 55.95 57.04 1ckk s SER 101 Cb -0.14 -1.61 1.47 0.00 0.10 0.00 0.00 66.02 65.83 1ckk s SER 101 CO 0.06 0.37 1.63 0.00 0.98 0.00 0.00 173.24 176.29 1ckk h ALA 102 N 5.00 2.90 0.10 5.32 0.00 -1.93 0.54 119.26 131.19 1ckk h ALA 102 Ca -0.52 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ckk h ALA 102 Cb 1.20 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ckk h ALA 102 CO 0.56 -1.50 -0.05 0.00 0.00 0.00 0.00 179.25 178.26 1ckk h ALA 103 N 1.51 -0.13 -0.74 0.00 0.00 -1.96 -1.58 119.26 116.36 1ckk h ALA 103 Ca 0.82 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.72 1ckk h ALA 103 Cb 2.69 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 20.48 1ckk h ALA 103 CO -0.34 -0.53 0.44 0.93 0.00 0.00 0.00 179.25 179.75 1ckk h GLU 104 N -0.21 0.78 -0.77 0.00 5.08 -0.26 -0.84 114.58 118.37 1ckk h GLU 104 Ca -0.01 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ckk h GLU 104 Cb 0.17 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1ckk h GLU 104 CO 0.02 0.52 0.51 -0.07 -1.00 0.00 0.00 179.01 178.99 1ckk h LEU 105 N 0.81 0.82 -1.17 1.33 3.38 -1.09 -0.84 115.31 118.54 1ckk h LEU 105 Ca 0.33 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1ckk h LEU 105 Cb 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1ckk h LEU 105 CO -0.17 0.57 0.37 -0.09 0.09 0.00 0.00 178.44 179.21 1ckk h ARG 106 N 0.95 0.94 -0.44 1.13 2.43 -0.15 2.06 114.38 121.31 1ckk h ARG 106 Ca 0.30 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1ckk h ARG 106 Cb 0.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1ckk h ARG 106 CO -0.09 0.70 0.15 1.25 -1.51 0.00 0.00 179.97 180.47 1ckk h HIS 107 N 0.95 0.69 0.00 2.20 2.76 -0.79 -0.56 115.15 120.40 1ckk h HIS 107 Ca 0.24 -0.07 -0.20 0.00 -2.20 0.00 0.00 60.37 58.15 1ckk h HIS 107 Cb 0.03 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 1ckk h HIS 107 CO 0.01 0.62 -1.06 -0.24 -1.30 0.00 0.00 177.93 175.96 1ckk h VAL 108 N 0.56 1.30 0.52 5.26 3.04 -1.00 -2.75 116.25 123.18 1ckk h VAL 108 Ca 0.14 -2.94 -0.03 0.00 -1.01 0.00 0.00 66.70 62.86 1ckk h VAL 108 Cb 0.25 2.62 0.01 0.00 -2.01 0.00 0.00 31.29 32.15 1ckk h VAL 108 CO -0.01 0.74 -0.25 -0.03 -1.01 0.00 0.00 177.57 177.01 1ckk h MET 109 N 0.00 -0.68 -0.13 4.17 -1.53 0.35 -1.93 114.93 115.19 1ckk h MET 109 Ca -0.07 0.05 -0.09 0.00 -3.44 0.00 0.00 59.70 56.15 1ckk h MET 109 Cb 1.72 0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 32.91 1ckk h MET 109 CO 0.10 -0.37 -0.32 1.15 0.14 0.00 0.00 176.91 177.61 1ckk h THR 110 N -0.98 1.27 0.00 -0.77 2.02 -0.99 -1.28 112.91 112.18 1ckk h THR 110 Ca -0.07 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1ckk h THR 110 Cb 0.62 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1ckk h THR 110 CO 0.12 0.39 0.00 0.59 0.37 0.00 0.00 175.52 176.99 1ckk n ASN 111 N -4.10 0.00 -0.47 4.18 5.03 -1.04 -2.62 115.26 116.24 1ckk n ASN 111 Ca -0.01 -0.99 0.05 0.00 0.87 0.00 0.00 54.58 54.50 1ckk n ASN 111 Cb 0.41 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 39.26 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ckk n LEU 112 N -0.91 2.26 0.00 3.41 4.77 -0.49 -4.64 117.00 121.40 1ckk n LEU 112 Ca 0.17 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1ckk n LEU 112 Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ckk n LEU 112 CO 0.12 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1ckk n GLY 113 N 0.49 2.14 3.91 -0.72 0.00 -1.08 -5.04 105.19 104.90 1ckk n GLY 113 Ca 0.08 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 3.58 -0.54 1.61 2.56 -1.25 -4.88 118.70 119.78 1ckk s GLU 114 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.97 54.87 1ckk s GLU 114 Cb 0.00 -2.75 0.21 0.00 2.00 0.00 0.00 34.13 33.60 1ckk s GLU 114 CO 0.00 0.32 0.55 0.36 -0.56 0.00 0.00 175.26 175.92 1ckk n LYS 115 N -0.73 1.40 -0.82 4.30 2.85 -1.26 -2.96 118.16 120.94 1ckk n LYS 115 Ca -0.03 -3.94 -0.27 0.00 -1.05 0.00 0.00 58.31 53.02 1ckk n LYS 115 Cb 0.54 -1.87 0.02 0.00 -0.65 0.00 0.00 35.03 33.07 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 1.67 -3.29 0.00 -5.58 4.32 -1.26 -4.92 117.00 107.93 1ckk n LEU 116 Ca 0.25 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 1ckk n LEU 116 Cb 0.44 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1ckk n LEU 116 CO 0.25 -3.78 0.00 0.41 -1.22 0.00 0.00 177.39 173.05 1ckk n THR 117 N -1.36 0.00 -0.03 -5.08 -1.04 -1.26 -4.84 114.28 100.67 1ckk n THR 117 Ca 0.03 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.98 1ckk n THR 117 Cb 0.36 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.85 1ckk n THR 117 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ckk n ASP 118 N 0.00 1.56 -0.26 8.00 8.00 -1.26 -4.19 116.55 128.40 1ckk n ASP 118 Ca 0.00 0.25 0.07 0.00 0.71 0.00 0.00 54.79 55.82 1ckk n ASP 118 Cb 0.00 -0.56 0.20 0.00 -0.02 0.00 0.00 41.12 40.74 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ckk h GLU 119 N -0.57 0.28 0.02 -1.24 4.57 -1.99 0.41 114.58 116.06 1ckk h GLU 119 Ca -0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ckk h GLU 119 Cb 0.63 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1ckk h GLU 119 CO -0.02 0.19 -0.04 1.49 -1.18 0.00 0.00 179.01 179.45 1ckk h GLU 120 N 0.29 -0.07 -0.87 1.92 4.57 -1.95 0.14 114.58 118.60 1ckk h GLU 120 Ca 0.44 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.69 1ckk h GLU 120 Cb 0.78 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.33 1ckk h GLU 120 CO -0.52 -0.05 0.57 0.28 -1.18 0.00 0.00 179.01 178.11 1ckk h VAL 121 N -0.08 1.07 -0.20 0.32 2.07 -1.27 0.32 116.25 118.49 1ckk h VAL 121 Ca 0.01 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1ckk h VAL 121 Cb 0.08 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1ckk h VAL 121 CO -0.02 0.18 -0.13 -0.78 0.02 0.00 0.00 177.57 176.84 1ckk h ASP 122 N 1.00 0.45 0.41 0.57 3.58 -0.36 -2.66 116.42 119.41 1ckk h ASP 122 Ca 0.37 -0.43 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1ckk h ASP 122 Cb 0.18 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1ckk h ASP 122 CO -0.13 0.79 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.86 1ckk h GLU 123 N 0.12 0.00 -0.11 0.28 4.81 -0.08 -2.03 114.58 117.56 1ckk h GLU 123 Ca 0.04 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 1ckk h GLU 123 Cb 0.63 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.02 1ckk h GLU 123 CO 0.03 0.08 -0.46 1.98 -0.73 0.00 0.00 179.01 179.91 1ckk h MET 124 N 0.00 0.51 -0.30 1.92 4.05 -0.64 -1.38 114.93 119.09 1ckk h MET 124 Ca -0.00 -0.40 -0.13 0.00 -0.28 0.00 0.00 59.70 58.89 1ckk h MET 124 Cb 0.30 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1ckk h MET 124 CO 0.01 1.03 -0.32 0.82 0.23 0.00 0.00 176.91 178.68 1ckk h ILE 125 N 0.11 1.30 -0.33 1.77 1.08 -1.14 -3.21 117.51 117.08 1ckk h ILE 125 Ca -0.03 -1.49 -0.05 0.00 -0.39 0.00 0.00 64.86 62.90 1ckk h ILE 125 Cb 1.10 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1ckk h ILE 125 CO 0.10 0.48 -0.00 0.03 -0.69 0.00 0.00 178.15 178.06 1ckk h ARG 126 N 0.50 0.59 -1.14 2.37 3.08 -1.44 0.39 114.38 118.72 1ckk h ARG 126 Ca 0.05 -0.19 0.32 0.00 0.07 0.00 0.00 59.98 60.23 1ckk h ARG 126 Cb 0.89 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.83 1ckk h ARG 126 CO 0.08 0.72 0.80 0.93 -1.07 0.00 0.00 179.97 181.42 1ckk h GLU 127 N 0.40 0.12 0.00 0.04 4.39 -1.25 -0.72 114.58 117.56 1ckk h GLU 127 Ca 0.09 -0.01 -0.36 0.00 0.34 0.00 0.00 59.36 59.43 1ckk h GLU 127 Cb 0.45 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 1ckk h GLU 127 CO 0.02 0.08 -2.35 0.00 -1.16 0.00 0.00 179.01 175.60 1ckk n ALA 128 N -2.67 1.51 -1.51 3.43 0.00 -1.02 -4.80 120.51 115.45 1ckk n ALA 128 Ca 0.26 -1.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 1ckk n ALA 128 Cb 1.14 -0.16 -0.10 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.75 0.97 -0.18 0.00 2.03 0.13 -4.69 116.55 112.06 1ckk n ASP 129 Ca -0.33 -1.93 -0.09 0.00 0.52 0.00 0.00 54.79 52.96 1ckk n ASP 129 Cb 1.13 -1.53 0.01 0.00 -0.72 0.00 0.00 41.12 40.01 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ckk h ILE 130 N 7.08 1.25 -0.12 5.18 2.04 -1.87 -2.77 117.51 128.30 1ckk h ILE 130 Ca 0.00 -0.96 -0.13 0.00 1.00 0.00 0.00 64.86 64.77 1ckk h ILE 130 Cb 1.01 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1ckk h ILE 130 CO 1.04 0.34 -0.52 -2.24 0.00 0.00 0.00 178.15 176.78 1ckk h ASP 131 N 0.74 0.35 -1.72 1.72 2.03 -1.96 -3.48 116.42 114.10 1ckk h ASP 131 Ca 0.16 -0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1ckk h ASP 131 Cb 0.41 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1ckk h ASP 131 CO 0.01 0.81 0.00 0.61 -1.03 0.00 0.00 179.24 179.64 1ckk n GLY 132 N 0.10 0.76 0.34 7.15 0.00 -1.05 -5.01 105.19 107.48 1ckk n GLY 132 Ca -0.02 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.86 1.71 0.00 1.61 5.68 -1.26 -4.96 116.55 118.47 1ckk n ASP 133 Ca 0.00 -1.36 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 1ckk n ASP 133 Cb 0.32 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 134 N 0.47 1.12 2.87 6.12 0.00 -1.26 -4.97 105.19 109.54 1ckk n GLY 134 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.14 0.04 0.34 1.61 -0.21 -1.26 -4.33 119.66 115.72 1ckk s GLN 135 Ca 0.00 0.01 -0.08 0.00 0.02 0.00 0.00 55.36 55.31 1ckk s GLN 135 Cb 0.00 -0.08 -0.06 0.00 1.00 0.00 0.00 33.01 33.87 1ckk s GLN 135 CO 0.00 -0.01 0.66 0.08 -2.12 0.00 0.00 175.29 173.89 1ckk s VAL 136 N 0.15 4.91 0.00 1.09 1.01 -0.43 -4.66 120.40 122.46 1ckk s VAL 136 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1ckk s VAL 136 Cb -0.02 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ckk s VAL 136 CO -0.00 -0.42 0.00 -0.46 0.00 0.00 0.00 175.10 174.22 1ckk n ASN 137 N -1.11 0.00 -0.01 3.32 0.23 -1.26 0.16 115.26 116.59 1ckk n ASN 137 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ckk n ASN 137 Cb 0.54 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1ckk n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1ckk h TYR 138 N 0.00 0.00 -0.67 -2.53 3.20 -1.98 -2.64 116.97 112.35 1ckk h TYR 138 Ca 0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 1ckk h TYR 138 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1ckk h TYR 138 CO 0.00 0.00 0.81 1.05 -1.64 0.00 0.00 178.16 178.38 1ckk h GLU 139 N -0.14 0.00 0.00 1.82 -0.00 -1.99 -0.73 114.58 113.54 1ckk h GLU 139 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1ckk h GLU 139 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.77 1ckk h GLU 139 CO 0.00 0.00 -0.14 0.93 -0.00 0.00 0.00 179.01 179.80 1ckk h GLU 140 N 0.00 0.00 0.00 1.06 5.08 -1.97 -1.37 114.58 117.38 1ckk h GLU 140 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1ckk h GLU 140 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1ckk h GLU 140 CO -0.00 0.00 0.43 0.35 -1.00 0.00 0.00 179.01 178.78 1ckk h PHE 141 N -0.89 0.00 0.00 4.33 3.04 -0.94 -2.73 116.94 119.75 1ckk h PHE 141 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ckk h PHE 141 Cb 0.14 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1ckk h PHE 141 CO -0.06 0.00 0.00 0.28 -2.02 0.00 0.00 178.31 176.51 1ckk n VAL 142 N -2.75 0.00 -0.16 1.41 0.31 -0.36 -3.96 118.33 112.81 1ckk n VAL 142 Ca -0.02 0.47 0.25 0.00 -0.01 0.00 0.00 64.34 65.03 1ckk n VAL 142 Cb 0.47 -1.47 0.39 0.00 -0.91 0.00 0.00 33.84 32.32 1ckk n VAL 142 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ckk n GLN 143 N -2.48 0.02 0.03 5.55 -0.00 -0.51 0.61 117.38 120.59 1ckk n GLN 143 Ca 0.00 1.00 -0.21 0.00 -0.00 0.00 0.00 57.00 57.79 1ckk n GLN 143 Cb 0.00 -2.51 -0.14 0.00 -0.00 0.00 0.00 30.24 27.58 1ckk n GLN 143 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1ckk h MET 144 N 0.00 0.29 -0.00 2.61 2.86 -1.69 -3.01 114.93 115.99 1ckk h MET 144 Ca 0.44 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ckk h MET 144 Cb 2.82 0.18 0.00 0.00 0.06 0.00 0.00 31.60 34.67 1ckk h MET 144 CO -0.00 1.20 -0.95 -0.12 1.06 0.00 0.00 176.91 178.10 1ckk n MET 145 N -3.49 0.20 0.00 1.72 1.56 0.12 -4.54 117.12 112.70 1ckk n MET 145 Ca -0.28 -0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.09 1ckk n MET 145 Cb 1.06 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.95 1ckk n MET 145 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1ckk n THR 146 N -1.40 0.00 0.00 1.12 -2.24 0.20 -5.00 114.28 106.96 1ckk n THR 146 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1ckk n THR 146 Cb 0.33 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.79 0.00 -0.17 6.98 0.00 -1.14 -4.98 120.51 119.42 1ckk n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ckk n ALA 147 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1ckk n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86