#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckz s LYS 2 N 0.00 0.85 -0.40 2.12 1.02 -1.26 -5.12 119.74 116.96 2ckz s LYS 2 Ca 0.00 -0.32 -0.22 0.00 0.02 0.00 0.00 55.97 55.44 2ckz s LYS 2 Cb 0.00 -0.81 0.01 0.00 -0.52 0.00 0.00 37.83 36.51 2ckz s LYS 2 CO 0.00 0.16 0.74 0.08 -0.92 0.00 0.00 175.35 175.42 2ckz s VAL 3 N -0.04 4.75 0.03 3.17 1.01 -1.26 -4.93 120.40 123.13 2ckz s VAL 3 Ca 0.01 0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.70 2ckz s VAL 3 Cb -0.06 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.96 2ckz s VAL 3 CO -0.00 -0.51 1.25 -0.07 0.00 0.00 0.00 175.10 175.77 2ckz h LEU 4 N 9.79 0.00 -6.00 3.92 3.38 -2.05 -3.44 115.31 120.90 2ckz h LEU 4 Ca -0.25 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.97 2ckz h LEU 4 Cb 1.09 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.66 2ckz h LEU 4 CO 0.91 0.86 0.06 -1.83 0.09 0.00 0.00 178.44 178.53 2ckz s GLU 5 N -2.77 0.08 0.34 1.13 -1.05 -1.26 -5.05 118.70 110.12 2ckz s GLU 5 Ca 0.01 0.09 0.10 0.00 -0.15 0.00 0.00 54.97 55.02 2ckz s GLU 5 Cb 0.09 0.04 0.86 0.00 -0.44 0.00 0.00 34.13 34.68 2ckz s GLU 5 CO 0.80 -0.15 1.79 1.05 0.95 0.00 0.00 175.26 179.70 2ckz h GLU 6 N 7.23 0.62 -3.33 -4.83 4.11 -2.01 -3.23 114.58 113.14 2ckz h GLU 6 Ca -0.10 -0.04 -0.65 0.00 0.07 0.00 0.00 59.36 58.63 2ckz h GLU 6 Cb 1.17 -0.14 -0.39 0.00 0.50 0.00 0.00 28.75 29.89 2ckz h GLU 6 CO -0.14 0.41 -0.50 1.03 0.07 0.00 0.00 179.01 179.88 2ckz s ARG 7 N -5.73 2.37 0.16 1.06 0.52 -1.26 -4.88 118.95 111.20 2ckz s ARG 7 Ca -0.10 -2.87 0.23 0.00 -0.52 0.00 0.00 55.73 52.46 2ckz s ARG 7 Cb 0.25 -3.50 0.12 0.00 0.52 0.00 0.00 34.95 32.33 2ckz s ARG 7 CO 0.80 -1.19 1.14 -0.97 0.02 0.00 0.00 175.30 175.10 2ckz h ASN 8 N 6.26 0.00 0.00 0.23 -0.00 -2.00 -3.48 115.58 116.59 2ckz h ASN 8 Ca 0.02 -0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.21 2ckz h ASN 8 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.18 2ckz h ASN 8 CO 0.72 0.05 0.00 0.00 -0.00 0.00 0.00 177.43 178.20 2ckz n ALA 9 N -2.03 0.00 -2.26 1.57 0.00 -1.26 -5.13 120.51 111.40 2ckz n ALA 9 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 2ckz n ALA 9 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 2ckz n ALA 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2ckz s PHE 10 N -1.89 3.79 -0.30 0.00 0.40 -1.26 -5.03 117.98 113.68 2ckz s PHE 10 Ca 0.00 1.48 -0.10 0.00 -0.60 0.00 0.00 56.93 57.71 2ckz s PHE 10 Cb 0.00 -2.75 -0.02 0.00 0.51 0.00 0.00 43.02 40.77 2ckz s PHE 10 CO 0.00 0.39 0.16 -0.51 0.70 0.00 0.00 175.22 175.96 2ckz s LEU 11 N -0.53 4.09 0.79 -0.37 1.43 -1.26 -5.07 118.68 117.75 2ckz s LEU 11 Ca 0.36 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 2ckz s LEU 11 Cb -0.21 -2.03 0.07 0.00 0.03 0.00 0.00 46.19 44.05 2ckz s LEU 11 CO 0.23 -0.17 1.22 -1.54 0.23 0.00 0.00 176.35 176.32 2ckz n SER 12 N 5.00 1.18 -0.18 2.29 3.41 -1.26 -4.73 113.62 119.33 2ckz n SER 12 Ca -0.14 0.62 -0.01 0.00 -0.26 0.00 0.00 58.87 59.08 2ckz n SER 12 Cb 0.50 -1.52 0.08 0.00 -0.26 0.00 0.00 64.21 63.01 2ckz n SER 12 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2ckz h ASP 13 N -0.70 -0.25 0.33 4.04 3.32 -1.99 -0.98 116.42 120.19 2ckz h ASP 13 Ca -0.47 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 2ckz h ASP 13 Cb 1.30 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 2ckz h ASP 13 CO 0.47 -0.09 -0.31 0.22 -1.72 0.00 0.00 179.24 177.80 2ckz h TYR 14 N 0.11 -0.84 -0.99 4.55 3.20 -1.97 -0.23 116.97 120.81 2ckz h TYR 14 Ca 0.28 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.39 2ckz h TYR 14 Cb 0.44 0.33 -0.12 0.00 1.54 0.00 0.00 36.73 38.91 2ckz h TYR 14 CO -0.34 -0.45 0.58 0.93 -1.64 0.00 0.00 178.16 177.24 2ckz h GLU 15 N -0.67 0.59 0.33 1.82 5.08 -1.71 0.31 114.58 120.33 2ckz h GLU 15 Ca -0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2ckz h GLU 15 Cb 0.60 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2ckz h GLU 15 CO -0.05 0.39 -0.16 0.28 -1.00 0.00 0.00 179.01 178.47 2ckz h VAL 16 N 0.60 0.63 -0.86 3.13 2.07 -0.70 -1.14 116.25 119.98 2ckz h VAL 16 Ca 0.62 -0.60 0.22 0.00 0.82 0.00 0.00 66.70 67.76 2ckz h VAL 16 Cb 1.14 0.91 -0.14 0.00 -1.52 0.00 0.00 31.29 31.69 2ckz h VAL 16 CO -0.46 0.11 0.23 0.25 0.02 0.00 0.00 177.57 177.72 2ckz h LEU 17 N -0.81 0.01 0.00 2.57 5.85 0.84 0.66 115.31 124.44 2ckz h LEU 17 Ca -0.05 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2ckz h LEU 17 Cb 0.52 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2ckz h LEU 17 CO 0.08 -0.13 0.00 1.17 -0.34 0.00 0.00 178.44 179.22 2ckz n LYS 18 N -5.21 0.00 -0.32 1.25 4.81 0.89 -1.56 118.16 118.02 2ckz n LYS 18 Ca 0.20 0.40 0.18 0.00 -0.87 0.00 0.00 58.31 58.22 2ckz n LYS 18 Cb 0.64 -1.30 0.34 0.00 0.02 0.00 0.00 35.03 34.73 2ckz n LYS 18 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2ckz n PHE 19 N -1.71 0.72 0.11 5.64 7.35 -0.44 0.14 117.46 129.26 2ckz n PHE 19 Ca 0.00 1.13 -0.04 0.00 -0.76 0.00 0.00 57.45 57.78 2ckz n PHE 19 Cb 0.00 -1.28 0.11 0.00 0.35 0.00 0.00 39.48 38.66 2ckz n PHE 19 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2ckz h LEU 20 N 0.00 0.10 0.09 -2.13 3.38 -0.94 -1.79 115.31 114.01 2ckz h LEU 20 Ca 0.62 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.53 2ckz h LEU 20 Cb 1.39 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2ckz h LEU 20 CO -0.85 0.75 -0.04 0.74 0.09 0.00 0.00 178.44 179.13 2ckz h THR 21 N 0.06 1.16 0.00 0.22 2.02 0.22 -2.46 112.91 114.13 2ckz h THR 21 Ca -0.01 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 2ckz h THR 21 Cb 1.21 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2ckz h THR 21 CO 0.10 0.27 -0.01 0.44 0.37 0.00 0.00 175.52 176.68 2ckz h ASP 22 N -0.67 0.00 -0.38 4.18 3.32 -0.67 -2.14 116.42 120.06 2ckz h ASP 22 Ca -0.01 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2ckz h ASP 22 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2ckz h ASP 22 CO 0.02 0.01 -0.30 0.25 -1.72 0.00 0.00 179.24 177.50 2ckz h LEU 23 N 0.00 0.92 -2.35 1.55 5.85 -1.15 -2.75 115.31 117.38 2ckz h LEU 23 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2ckz h LEU 23 Cb 0.03 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 2ckz h LEU 23 CO 0.00 1.17 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.92 2ckz h GLU 24 N 0.68 0.00 0.31 1.25 5.08 -0.91 -3.04 114.58 117.95 2ckz h GLU 24 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2ckz h GLU 24 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2ckz h GLU 24 CO 0.08 0.03 -0.15 0.87 -1.00 0.00 0.00 179.01 178.84 2ckz h LYS 25 N 0.00 -0.39 -1.61 2.33 1.57 -1.44 0.84 116.57 117.86 2ckz h LYS 25 Ca -0.00 0.03 0.51 0.00 -1.87 0.00 0.00 60.65 59.32 2ckz h LYS 25 Cb 0.19 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.48 2ckz h LYS 25 CO 0.00 -0.26 1.10 0.87 -0.57 0.00 0.00 179.45 180.59 2ckz h LYS 26 N -0.93 0.01 -0.47 3.15 1.57 -1.44 0.79 116.57 119.25 2ckz h LYS 26 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ckz h LYS 26 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2ckz h LYS 26 CO 0.07 0.01 0.00 0.72 -0.57 0.00 0.00 179.45 179.67 2ckz n HIS 27 N -4.42 0.72 -3.38 -1.35 8.25 -1.18 -4.85 115.22 109.01 2ckz n HIS 27 Ca 0.42 -0.53 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 2ckz n HIS 27 Cb 1.74 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 32.81 2ckz n HIS 27 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ckz n LEU 28 N 0.80 -4.73 -0.51 2.41 4.32 0.27 -2.20 117.00 117.37 2ckz n LEU 28 Ca 0.17 -0.56 0.06 0.00 -0.02 0.00 0.00 56.01 55.65 2ckz n LEU 28 Cb 0.55 -2.75 0.10 0.00 -1.62 0.00 0.00 43.42 39.70 2ckz n LEU 28 CO 0.12 -0.27 0.37 0.79 -1.22 0.00 0.00 177.39 177.17 2ckz n TRP 29 N -2.72 0.00 -3.75 -1.77 8.01 0.28 -4.67 117.44 112.82 2ckz n TRP 29 Ca -0.10 -0.78 -0.30 0.00 -1.31 0.00 0.00 57.50 55.02 2ckz n TRP 29 Cb 0.58 -0.15 -0.04 0.00 -2.01 0.00 0.00 31.31 29.69 2ckz n TRP 29 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2ckz s ASP 30 N -2.34 6.43 0.24 -0.99 1.01 -1.26 -4.90 116.67 114.86 2ckz s ASP 30 Ca 0.25 0.45 -0.14 0.00 0.71 0.00 0.00 52.55 53.82 2ckz s ASP 30 Cb 0.24 -2.03 0.31 0.00 1.01 0.00 0.00 42.92 42.45 2ckz s ASP 30 CO -0.03 0.07 1.57 1.56 0.21 0.00 0.00 175.17 178.54 2ckz h GLN 31 N 2.71 -0.02 0.46 8.23 4.20 -1.98 0.68 115.11 129.39 2ckz h GLN 31 Ca -0.46 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 2ckz h GLN 31 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2ckz h GLN 31 CO 0.73 -0.01 -0.24 0.87 -0.67 0.00 0.00 178.83 179.50 2ckz h LYS 32 N -0.02 -0.62 0.00 1.46 1.57 -2.00 -2.64 116.57 114.33 2ckz h LYS 32 Ca 0.38 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2ckz h LYS 32 Cb 0.63 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2ckz h LYS 32 CO -0.93 -0.41 0.00 0.66 -0.57 0.00 0.00 179.45 178.20 2ckz h SER 33 N -0.64 0.00 0.53 0.86 4.64 -1.80 -1.80 113.55 115.35 2ckz h SER 33 Ca -0.06 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.05 2ckz h SER 33 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2ckz h SER 33 CO 0.09 0.00 -0.89 -0.07 -0.87 0.00 0.00 176.83 175.09 2ckz h LEU 34 N 0.00 0.31 0.00 5.97 3.38 0.48 -3.16 115.31 122.29 2ckz h LEU 34 Ca 0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2ckz h LEU 34 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ckz h LEU 34 CO 0.00 1.05 -0.80 0.00 0.09 0.00 0.00 178.44 178.79 2ckz h ALA 35 N 0.92 0.66 -0.35 1.53 0.00 -0.98 -3.31 119.26 117.73 2ckz h ALA 35 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ckz h ALA 35 Cb 1.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2ckz h ALA 35 CO 0.14 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2ckz n ALA 36 N -2.21 2.46 -3.00 0.00 0.00 -0.76 -5.12 120.51 111.88 2ckz n ALA 36 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2ckz n ALA 36 Cb 0.62 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2ckz n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ckz n LEU 37 N 0.79 0.00 0.00 0.00 4.77 -1.20 -5.04 117.00 116.32 2ckz n LEU 37 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2ckz n LEU 37 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2ckz n LEU 37 CO 0.12 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.72 2ckz n ARG 48 N 0.00 0.00 -0.32 3.23 1.74 -1.26 -4.98 116.66 115.07 2ckz n ARG 48 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2ckz n ARG 48 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2ckz n ARG 48 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ckz n PRO 49 N 0.00 0.00 -1.72 5.56 -0.04 -1.26 -5.01 135.00 132.53 2ckz n PRO 49 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2ckz n PRO 49 Cb 0.00 -0.32 -0.03 0.00 -0.04 0.00 0.00 33.50 33.12 2ckz n PRO 49 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2ckz n TYR 50 N -1.31 2.67 0.34 0.54 9.36 -0.93 -4.95 117.16 122.87 2ckz n TYR 50 Ca 0.00 0.19 -0.16 0.00 3.32 0.00 0.00 57.90 61.25 2ckz n TYR 50 Cb 0.30 -2.61 -0.08 0.00 -0.63 0.00 0.00 39.34 36.32 2ckz n TYR 50 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2ckz h ASN 51 N 5.62 -0.72 0.00 2.98 -1.24 -1.95 -3.46 115.58 116.81 2ckz h ASN 51 Ca -0.45 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.54 2ckz h ASN 51 Cb 1.22 0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.46 2ckz h ASN 51 CO 0.86 -0.42 0.00 1.57 -1.29 0.00 0.00 177.43 178.16 2ckz n HIS 52 N -5.40 0.00 0.12 0.67 -0.00 -1.26 -4.82 115.22 104.54 2ckz n HIS 52 Ca -0.13 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.84 2ckz n HIS 52 Cb 0.36 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.08 2ckz n HIS 52 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2ckz h PRO 53 N 0.00 0.42 -0.14 1.57 0.13 -1.98 -2.98 132.00 129.02 2ckz h PRO 53 Ca 0.00 -0.72 -0.08 0.00 -0.87 0.00 0.00 66.00 64.33 2ckz h PRO 53 Cb 0.00 0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 2ckz h PRO 53 CO 0.00 1.34 -0.21 0.93 -0.23 0.00 0.00 178.00 179.83 2ckz h GLU 54 N 0.12 0.39 -0.16 0.86 5.08 -1.98 0.62 114.58 119.51 2ckz h GLU 54 Ca -0.22 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2ckz h GLU 54 Cb 2.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 2ckz h GLU 54 CO 0.24 0.82 0.05 1.25 -1.00 0.00 0.00 179.01 180.36 2ckz h LEU 55 N -0.01 0.24 -0.67 1.33 5.85 -1.96 -1.06 115.31 119.04 2ckz h LEU 55 Ca 0.01 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.56 2ckz h LEU 55 Cb 0.78 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2ckz h LEU 55 CO 0.05 0.38 0.40 -0.61 -0.34 0.00 0.00 178.44 178.32 2ckz h GLN 56 N 0.08 0.74 0.00 1.25 4.15 -1.52 0.02 115.11 119.83 2ckz h GLN 56 Ca 0.05 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2ckz h GLN 56 Cb 0.23 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2ckz h GLN 56 CO -0.00 0.49 0.00 0.41 -1.93 0.00 0.00 178.83 177.80 2ckz n GLY 57 N -1.28 -2.93 0.28 2.39 0.00 0.22 -2.07 105.19 101.80 2ckz n GLY 57 Ca 0.07 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.44 2ckz n GLY 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ckz h ILE 58 N 0.00 1.11 -0.87 -0.61 2.10 -1.20 -2.46 117.51 115.58 2ckz h ILE 58 Ca 0.00 -0.34 0.08 0.00 1.08 0.00 0.00 64.86 65.68 2ckz h ILE 58 Cb 0.00 0.79 -0.07 0.00 -1.09 0.00 0.00 36.82 36.45 2ckz h ILE 58 CO 0.00 0.13 0.53 0.74 -1.08 0.00 0.00 178.15 178.46 2ckz h THR 59 N 0.38 0.97 0.23 2.19 2.02 -0.86 -0.63 112.91 117.20 2ckz h THR 59 Ca 0.10 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2ckz h THR 59 Cb 0.08 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2ckz h THR 59 CO -0.01 0.17 -0.11 -0.09 0.37 0.00 0.00 175.52 175.85 2ckz h ARG 60 N 0.91 -0.29 -0.90 6.66 9.65 -0.94 -3.01 114.38 126.46 2ckz h ARG 60 Ca 0.40 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.44 2ckz h ARG 60 Cb 0.29 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.85 2ckz h ARG 60 CO -0.22 0.01 0.51 -0.91 2.80 0.00 0.00 179.97 182.17 2ckz h ASN 61 N -0.61 0.68 -0.77 -3.80 2.35 -1.30 0.96 115.58 113.10 2ckz h ASN 61 Ca -0.03 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2ckz h ASN 61 Cb 0.44 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 2ckz h ASN 61 CO 0.05 0.31 0.33 0.58 -1.65 0.00 0.00 177.43 177.06 2ckz h VAL 62 N 0.75 1.25 -0.20 2.81 2.07 -1.14 -2.25 116.25 119.54 2ckz h VAL 62 Ca 0.48 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2ckz h VAL 62 Cb 0.62 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2ckz h VAL 62 CO -0.33 0.32 -0.13 0.58 0.02 0.00 0.00 177.57 178.03 2ckz h VAL 63 N 1.12 1.32 0.00 2.57 2.07 -0.95 -2.24 116.25 120.14 2ckz h VAL 63 Ca 0.26 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2ckz h VAL 63 Cb 0.17 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2ckz h VAL 63 CO -0.03 0.37 0.00 0.78 0.02 0.00 0.00 177.57 178.72 2ckz h ASN 64 N 0.13 0.00 0.00 0.57 2.35 -0.72 -2.23 115.58 115.68 2ckz h ASN 64 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2ckz h ASN 64 Cb 0.64 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 2ckz h ASN 64 CO 0.04 0.00 -0.26 0.22 -1.65 0.00 0.00 177.43 175.77 2ckz h TYR 65 N 0.00 0.00 0.00 1.19 3.20 -1.03 -3.32 116.97 117.01 2ckz h TYR 65 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ckz h TYR 65 Cb 0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2ckz h TYR 65 CO 0.00 0.48 0.00 1.28 -1.64 0.00 0.00 178.16 178.28 2ckz n LEU 66 N -4.66 0.67 -0.09 2.82 4.77 -0.88 -2.42 117.00 117.22 2ckz n LEU 66 Ca -0.08 0.69 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 2ckz n LEU 66 Cb 0.28 -0.62 0.14 0.00 -2.33 0.00 0.00 43.42 40.88 2ckz n LEU 66 CO 0.14 -0.64 0.33 -1.54 -1.33 0.00 0.00 177.39 174.35 2ckz n SER 67 N -2.26 0.87 -0.03 -1.43 3.41 -0.85 -4.43 113.62 108.90 2ckz n SER 67 Ca 0.01 -0.68 -0.01 0.00 -0.26 0.00 0.00 58.87 57.93 2ckz n SER 67 Cb 0.20 0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2ckz n SER 67 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2ckz h ILE 68 N 0.42 0.00 0.00 -1.33 2.04 -1.57 -3.51 117.51 113.56 2ckz h ILE 68 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2ckz h ILE 68 Cb 0.52 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2ckz h ILE 68 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.95