#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky4 s LYS 2 N 0.00 2.15 -0.10 3.17 -2.85 -1.26 -5.14 119.74 115.70 2ky4 s LYS 2 Ca 0.00 -1.57 0.01 0.00 -1.00 0.00 0.00 55.97 53.41 2ky4 s LYS 2 Cb 0.00 -2.04 0.02 0.00 -2.06 0.00 0.00 37.83 33.75 2ky4 s LYS 2 CO 0.00 0.28 -0.13 0.08 0.10 0.00 0.00 175.35 175.68 2ky4 s VAL 3 N -2.41 1.34 -0.15 1.79 1.01 -1.26 -5.07 120.40 115.64 2ky4 s VAL 3 Ca 0.33 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 2ky4 s VAL 3 Cb -0.04 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2ky4 s VAL 3 CO 0.19 0.41 0.87 -0.36 0.00 0.00 0.00 175.10 176.22 2ky4 s PHE 4 N 1.10 3.45 0.31 5.22 0.08 -1.26 -5.02 117.98 121.85 2ky4 s PHE 4 Ca -0.05 1.34 -0.15 0.00 0.12 0.00 0.00 56.93 58.19 2ky4 s PHE 4 Cb -0.14 -3.06 0.02 0.00 -0.57 0.00 0.00 43.02 39.27 2ky4 s PHE 4 CO -0.02 -0.23 0.64 -1.59 -0.10 0.00 0.00 175.22 173.92 2ky4 s LYS 5 N 2.10 1.88 -0.31 0.44 0.00 -1.26 -2.33 119.74 120.25 2ky4 s LYS 5 Ca 0.41 -1.30 -0.11 0.00 0.00 0.00 0.00 55.97 54.97 2ky4 s LYS 5 Cb -0.17 0.56 -0.02 0.00 0.00 0.00 0.00 37.83 38.20 2ky4 s LYS 5 CO 0.14 -0.84 0.18 1.03 0.00 0.00 0.00 175.35 175.86 2ky4 s ARG 6 N -3.35 3.47 0.00 1.78 0.52 -1.23 -4.94 118.95 115.20 2ky4 s ARG 6 Ca 0.18 -0.64 0.22 0.00 -0.52 0.00 0.00 55.73 54.97 2ky4 s ARG 6 Cb -0.04 -3.64 1.30 0.00 0.52 0.00 0.00 34.95 33.09 2ky4 s ARG 6 CO 0.11 -0.39 1.78 0.28 0.02 0.00 0.00 175.30 177.10 2ky4 n VAL 7 N 5.03 0.00 0.00 3.52 0.31 -1.26 -4.95 118.33 120.97 2ky4 n VAL 7 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2ky4 n VAL 7 Cb 0.50 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2ky4 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ky4 n ALA 8 N -0.87 0.00 -1.23 3.52 0.00 -1.26 -4.62 120.51 116.06 2ky4 n ALA 8 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.41 2ky4 n ALA 8 Cb 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 2ky4 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ky4 n GLY 9 N 0.00 3.71 0.11 0.00 0.00 -1.26 -4.41 105.19 103.35 2ky4 n GLY 9 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 2ky4 n GLY 9 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ky4 h ILE 10 N 1.93 1.00 0.00 -0.61 2.04 -1.93 -3.47 117.51 116.47 2ky4 h ILE 10 Ca 0.29 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.92 2ky4 h ILE 10 Cb 1.08 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2ky4 h ILE 10 CO 0.57 0.26 0.00 0.29 0.00 0.00 0.00 178.15 179.27 2ky4 n LYS 11 N -4.89 0.00 -1.53 2.37 4.01 -1.26 -4.94 118.16 111.93 2ky4 n LYS 11 Ca -0.08 0.00 -0.52 0.00 -0.51 0.00 0.00 58.31 57.20 2ky4 n LYS 11 Cb 0.28 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.75 2ky4 n LYS 11 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ky4 n ASP 12 N 1.14 0.54 0.13 4.39 2.03 -1.26 -4.85 116.55 118.67 2ky4 n ASP 12 Ca 0.00 1.14 0.02 0.00 0.52 0.00 0.00 54.79 56.47 2ky4 n ASP 12 Cb 0.00 -1.09 0.01 0.00 -0.72 0.00 0.00 41.12 39.32 2ky4 n ASP 12 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ky4 h LYS 13 N 2.93 0.00 0.07 -0.67 6.56 -1.99 -3.09 116.57 120.37 2ky4 h LYS 13 Ca -0.43 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.16 2ky4 h LYS 13 Cb 1.38 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.04 2ky4 h LYS 13 CO 0.67 0.53 -0.03 0.00 -2.06 0.00 0.00 179.45 178.56 2ky4 h ALA 14 N 1.46 -0.09 -0.40 3.86 0.00 -2.00 -1.93 119.26 120.16 2ky4 h ALA 14 Ca -0.01 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2ky4 h ALA 14 Cb 1.42 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 2ky4 h ALA 14 CO 0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 179.25 178.90 2ky4 h ALA 15 N 0.22 0.21 -0.75 0.00 0.00 -1.98 -3.17 119.26 113.78 2ky4 h ALA 15 Ca -0.01 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2ky4 h ALA 15 Cb 0.53 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2ky4 h ALA 15 CO 0.02 -0.49 0.44 0.82 0.00 0.00 0.00 179.25 180.03 2ky4 h ILE 16 N -0.05 0.99 -0.03 0.00 1.08 -1.52 -2.80 117.51 115.19 2ky4 h ILE 16 Ca 0.20 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.31 2ky4 h ILE 16 Cb 0.35 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 2ky4 h ILE 16 CO -0.44 0.15 -0.35 0.07 -0.69 0.00 0.00 178.15 176.89 2ky4 h LYS 17 N 0.80 0.05 -0.02 2.37 5.09 -1.32 -0.78 116.57 122.75 2ky4 h LYS 17 Ca 0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 60.65 61.04 2ky4 h LYS 17 Cb 0.19 -0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.52 2ky4 h LYS 17 CO -0.18 0.39 -0.03 1.15 -2.09 0.00 0.00 179.45 178.69 2ky4 h THR 18 N 0.04 1.41 -0.85 0.07 2.02 -1.51 -1.01 112.91 113.09 2ky4 h THR 18 Ca 0.00 -1.27 0.22 0.00 0.77 0.00 0.00 66.41 66.13 2ky4 h THR 18 Cb 0.63 2.22 -0.15 0.00 -1.74 0.00 0.00 68.15 69.12 2ky4 h THR 18 CO 0.05 0.34 0.07 0.25 0.37 0.00 0.00 175.52 176.60 2ky4 h LEU 19 N -0.45 -0.29 -1.01 2.58 6.46 -1.36 -1.76 115.31 119.47 2ky4 h LEU 19 Ca 0.00 0.22 -0.07 0.00 -0.12 0.00 0.00 57.88 57.91 2ky4 h LEU 19 Cb 0.56 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 2ky4 h LEU 19 CO 0.01 -0.22 -0.01 0.40 -0.62 0.00 0.00 178.44 178.00 2ky4 h ILE 20 N 0.11 1.23 -0.09 4.05 2.04 -1.00 -2.13 117.51 121.72 2ky4 h ILE 20 Ca 0.50 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2ky4 h ILE 20 Cb 0.96 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2ky4 h ILE 20 CO -0.73 0.33 0.05 0.28 0.00 0.00 0.00 178.15 178.08 2ky4 h SER 21 N 0.66 0.11 -0.52 1.72 0.02 -0.29 -1.63 113.55 113.63 2ky4 h SER 21 Ca 0.13 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2ky4 h SER 21 Cb 0.42 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2ky4 h SER 21 CO 0.02 0.17 -0.03 0.00 -1.14 0.00 0.00 176.83 175.85 2ky4 h ALA 22 N 0.95 0.70 -0.94 3.77 0.00 -1.50 -1.57 119.26 120.67 2ky4 h ALA 22 Ca 0.03 -0.31 0.26 0.00 0.00 0.00 0.00 54.91 54.90 2ky4 h ALA 22 Cb 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2ky4 h ALA 22 CO -0.00 0.54 0.66 0.00 0.00 0.00 0.00 179.25 180.45 2ky4 h ALA 23 N 0.93 2.75 0.02 0.00 0.00 -1.23 -1.12 119.26 120.61 2ky4 h ALA 23 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2ky4 h ALA 23 Cb 0.57 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2ky4 h ALA 23 CO 0.03 -1.03 -0.23 1.88 0.00 0.00 0.00 179.25 179.90 2ky4 h TYR 24 N 0.09 0.19 -0.35 0.00 0.05 -0.93 -3.39 116.97 112.62 2ky4 h TYR 24 Ca 0.46 -0.12 0.10 0.00 0.05 0.00 0.00 58.73 59.22 2ky4 h TYR 24 Cb 1.69 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.40 2ky4 h TYR 24 CO -0.00 1.00 0.29 0.00 -1.05 0.00 0.00 178.16 178.40 2ky4 h ARG 25 N -0.68 0.00 0.14 4.88 3.08 -0.20 -0.10 114.38 121.51 2ky4 h ARG 25 Ca -0.04 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.69 2ky4 h ARG 25 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 2ky4 h ARG 25 CO 0.04 0.00 -1.66 0.37 -1.07 0.00 0.00 179.97 177.65 2ky4 h GLN 26 N 0.00 0.31 0.16 0.04 5.75 -1.74 -2.98 115.11 116.64 2ky4 h GLN 26 Ca 0.17 -0.52 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 2ky4 h GLN 26 Cb 0.74 0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.49 2ky4 h GLN 26 CO -0.00 1.25 -0.07 0.82 -2.65 0.00 0.00 178.83 178.17 2ky4 h ILE 27 N -0.08 0.45 0.00 2.39 5.03 -1.43 -3.23 117.51 120.64 2ky4 h ILE 27 Ca -0.35 -1.08 0.00 0.00 -0.12 0.00 0.00 64.86 63.31 2ky4 h ILE 27 Cb 1.94 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 36.53 2ky4 h ILE 27 CO 0.11 0.13 0.00 0.49 -0.68 0.00 0.00 178.15 178.20 2ky4 n PHE 28 N -4.90 0.00 -3.51 1.37 3.72 -0.13 -4.86 117.46 109.15 2ky4 n PHE 28 Ca -0.05 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.09 2ky4 n PHE 28 Cb 0.19 -0.32 0.03 0.00 -0.94 0.00 0.00 39.48 38.44 2ky4 n PHE 28 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2ky4 n GLU 29 N -1.32 -5.18 -3.63 -1.08 2.13 -1.17 -4.98 120.64 105.42 2ky4 n GLU 29 Ca 0.12 0.68 -0.15 0.00 0.66 0.00 0.00 57.16 58.47 2ky4 n GLU 29 Cb 0.24 -5.54 -0.07 0.00 0.27 0.00 0.00 31.44 26.34 2ky4 n GLU 29 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2ky4 s ARG 30 N -6.20 0.91 -0.60 5.31 1.70 -1.14 -4.98 118.95 113.96 2ky4 s ARG 30 Ca 0.50 -0.08 -0.27 0.00 -0.47 0.00 0.00 55.73 55.42 2ky4 s ARG 30 Cb -0.24 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 2ky4 s ARG 30 CO 0.62 -0.29 1.78 0.34 -1.08 0.00 0.00 175.30 176.66 2ky4 s ASP 31 N -1.52 5.44 -0.09 -2.89 2.15 -1.26 -3.69 116.67 114.81 2ky4 s ASP 31 Ca -0.10 0.32 -0.29 0.00 0.43 0.00 0.00 52.55 52.92 2ky4 s ASP 31 Cb -0.02 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2ky4 s ASP 31 CO 0.04 -2.25 0.95 -0.63 -0.17 0.00 0.00 175.17 173.12 2ky4 s ILE 32 N 8.45 4.84 0.23 4.11 1.01 -1.26 -5.03 121.20 133.54 2ky4 s ILE 32 Ca 0.64 1.95 -0.31 0.00 0.00 0.00 0.00 60.65 62.93 2ky4 s ILE 32 Cb -0.13 -4.27 -0.11 0.00 0.01 0.00 0.00 42.46 37.96 2ky4 s ILE 32 CO 0.21 0.06 1.59 0.00 0.00 0.00 0.00 174.94 176.80 2ky4 s ALA 33 N 1.72 3.78 0.44 9.38 0.00 -1.26 -4.91 121.76 130.92 2ky4 s ALA 33 Ca 0.47 1.48 0.11 0.00 0.00 0.00 0.00 51.96 54.02 2ky4 s ALA 33 Cb -0.19 -3.64 1.00 0.00 0.00 0.00 0.00 23.12 20.30 2ky4 s ALA 33 CO 0.19 -0.87 2.05 -1.00 0.00 0.00 0.00 175.76 176.14 2ky4 h PRO 34 N 5.90 0.38 0.00 0.00 0.13 -1.99 -1.40 132.00 135.01 2ky4 h PRO 34 Ca -0.45 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2ky4 h PRO 34 Cb 1.21 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2ky4 h PRO 34 CO 0.86 0.25 -0.08 0.10 -0.23 0.00 0.00 178.00 178.91 2ky4 h TYR 35 N 0.39 0.00 0.04 1.56 -0.00 -1.99 -1.33 116.97 115.64 2ky4 h TYR 35 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.79 2ky4 h TYR 35 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.88 2ky4 h TYR 35 CO -0.00 0.08 -0.50 0.82 -0.00 0.00 0.00 178.16 178.56 2ky4 h ILE 36 N 0.00 1.53 -0.19 -0.90 2.04 -1.66 -3.37 117.51 114.98 2ky4 h ILE 36 Ca -0.00 -2.37 -0.02 0.00 1.00 0.00 0.00 64.86 63.47 2ky4 h ILE 36 Cb 0.52 3.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.71 2ky4 h ILE 36 CO 0.01 0.60 0.05 0.00 0.00 0.00 0.00 178.15 178.81 2ky4 h ALA 37 N -0.06 1.74 0.00 1.87 0.00 -1.28 -2.42 119.26 119.11 2ky4 h ALA 37 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ky4 h ALA 37 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ky4 h ALA 37 CO 0.01 0.21 0.00 -0.56 0.00 0.00 0.00 179.25 178.91 2ky4 h GLN 38 N 0.26 0.00 0.07 0.00 3.07 -1.42 -1.91 115.11 115.18 2ky4 h GLN 38 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.70 2ky4 h GLN 38 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.68 2ky4 h GLN 38 CO -0.00 0.00 -0.45 -0.91 0.09 0.00 0.00 178.83 177.56 2ky4 h ASN 39 N 0.00 0.25 0.00 0.06 2.35 -1.59 -3.35 115.58 113.30 2ky4 h ASN 39 Ca 0.00 -0.97 -0.00 0.00 -0.55 0.00 0.00 56.30 54.78 2ky4 h ASN 39 Cb 0.80 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 2ky4 h ASN 39 CO 0.00 1.21 -0.28 -0.33 -1.65 0.00 0.00 177.43 176.38 2ky4 h GLU 40 N -0.67 0.00 -1.44 0.81 4.39 -1.52 -3.38 114.58 112.76 2ky4 h GLU 40 Ca -0.08 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.15 2ky4 h GLU 40 Cb 1.34 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.80 2ky4 h GLU 40 CO 0.08 0.02 0.58 1.19 -1.16 0.00 0.00 179.01 179.71 2ky4 n PHE 41 N -4.69 2.10 0.03 4.33 3.72 -0.72 -4.68 117.46 117.55 2ky4 n PHE 41 Ca -0.04 -2.29 -0.13 0.00 -0.05 0.00 0.00 57.45 54.94 2ky4 n PHE 41 Cb 0.15 -1.16 -0.09 0.00 -0.94 0.00 0.00 39.48 37.44 2ky4 n PHE 41 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2ky4 h SER 42 N 1.87 -0.06 0.98 4.37 0.87 -1.70 -3.03 113.55 116.84 2ky4 h SER 42 Ca 0.41 -0.31 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2ky4 h SER 42 Cb 0.82 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2ky4 h SER 42 CO 1.05 0.28 -0.74 1.23 -0.53 0.00 0.00 176.83 178.12 2ky4 h GLY 43 N -0.41 0.00 2.00 5.77 0.00 -1.90 -3.32 103.07 105.21 2ky4 h GLY 43 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2ky4 h GLY 43 CO 0.01 0.00 -0.14 -0.25 0.00 0.00 0.00 176.54 176.17 2ky4 h TRP 44 N 0.00 0.00 -0.25 5.60 -0.00 -1.88 -1.80 115.95 117.63 2ky4 h TRP 44 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.82 2ky4 h TRP 44 Cb 1.43 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.58 2ky4 h TRP 44 CO 0.00 0.14 -0.07 1.49 -0.00 0.00 0.00 178.44 179.99 2ky4 h GLU 45 N 0.00 0.49 -0.32 2.65 4.22 -1.62 -3.29 114.58 116.70 2ky4 h GLU 45 Ca -0.00 -0.19 0.07 0.00 0.08 0.00 0.00 59.36 59.32 2ky4 h GLU 45 Cb 0.37 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2ky4 h GLU 45 CO 0.02 0.72 0.23 1.03 -2.18 0.00 0.00 179.01 178.83 2ky4 h SER 46 N 0.23 0.10 0.20 1.04 0.87 -1.49 0.67 113.55 115.17 2ky4 h SER 46 Ca 0.06 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 2ky4 h SER 46 Cb 0.55 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2ky4 h SER 46 CO 0.03 0.06 -0.75 0.11 -0.53 0.00 0.00 176.83 175.75 2ky4 h LYS 47 N 0.11 0.46 0.31 2.24 1.79 -1.64 -3.35 116.57 116.48 2ky4 h LYS 47 Ca 0.15 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 2ky4 h LYS 47 Cb 0.46 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2ky4 h LYS 47 CO -0.02 1.02 -0.15 1.25 -1.08 0.00 0.00 179.45 180.47 2ky4 h LEU 48 N 0.31 -0.35 -0.61 2.94 5.85 -0.94 -2.57 115.31 119.94 2ky4 h LEU 48 Ca -0.04 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 2ky4 h LEU 48 Cb 1.33 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2ky4 h LEU 48 CO 0.13 0.05 -0.40 1.23 -0.34 0.00 0.00 178.44 179.11 2ky4 h GLY 49 N -1.02 0.69 2.00 3.75 0.00 -1.71 -2.60 103.07 104.18 2ky4 h GLY 49 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2ky4 h GLY 49 CO 0.07 0.63 0.00 3.43 0.00 0.00 0.00 176.54 180.67 2ky4 h ASN 50 N 0.52 0.00 0.00 0.19 4.21 -1.75 -3.43 115.58 115.33 2ky4 h ASN 50 Ca 0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2ky4 h ASN 50 Cb 0.92 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 2ky4 h ASN 50 CO 0.08 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.83 2ky4 n GLY 51 N -1.22 0.83 0.14 2.83 0.00 -0.98 -5.03 105.19 101.77 2ky4 n GLY 51 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2ky4 n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ky4 h GLU 52 N 3.80 -0.31 0.00 1.61 4.39 -1.65 -3.47 114.58 118.96 2ky4 h GLU 52 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2ky4 h GLU 52 Cb 0.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2ky4 h GLU 52 CO 0.00 -0.21 0.00 0.44 -1.16 0.00 0.00 179.01 178.08 2ky4 n ILE 53 N -3.88 0.00 -3.58 3.13 -5.35 -1.04 -5.06 119.36 103.58 2ky4 n ILE 53 Ca -0.04 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.35 2ky4 n ILE 53 Cb 0.13 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 37.98 2ky4 n ILE 53 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2ky4 s THR 54 N 1.12 0.00 0.48 7.28 -1.32 -1.26 -4.95 115.64 117.00 2ky4 s THR 54 Ca 0.00 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.62 2ky4 s THR 54 Cb 0.00 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 2ky4 s THR 54 CO 0.00 0.00 2.09 0.58 -2.21 0.00 0.00 174.62 175.08 2ky4 h VAL 55 N 2.38 0.99 0.02 5.08 2.07 -1.91 -0.48 116.25 124.40 2ky4 h VAL 55 Ca -0.17 -0.07 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 2ky4 h VAL 55 Cb 1.18 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2ky4 h VAL 55 CO 0.29 0.04 -0.66 0.50 0.02 0.00 0.00 177.57 177.76 2ky4 h LYS 56 N 0.19 0.42 0.00 1.57 3.64 -1.40 -2.06 116.57 118.93 2ky4 h LYS 56 Ca 0.10 -0.47 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 2ky4 h LYS 56 Cb 0.15 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2ky4 h LYS 56 CO -0.02 1.14 -0.07 1.49 -2.27 0.00 0.00 179.45 179.71 2ky4 h GLU 57 N -0.10 0.00 -0.04 1.90 4.81 -1.77 -0.52 114.58 118.86 2ky4 h GLU 57 Ca -0.09 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2ky4 h GLU 57 Cb 1.38 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.77 2ky4 h GLU 57 CO 0.13 0.07 -0.33 0.35 -0.73 0.00 0.00 179.01 178.50 2ky4 h PHE 58 N 0.00 0.41 -0.02 0.92 3.57 -0.98 -2.82 116.94 118.02 2ky4 h PHE 58 Ca -0.00 -0.19 -0.12 0.00 3.53 0.00 0.00 57.97 61.19 2ky4 h PHE 58 Cb 0.40 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2ky4 h PHE 58 CO 0.00 0.96 -0.54 0.82 -2.23 0.00 0.00 178.31 177.31 2ky4 h ILE 59 N -0.26 1.38 -0.24 1.41 2.04 -1.18 -2.62 117.51 118.05 2ky4 h ILE 59 Ca -0.03 -1.86 -0.02 0.00 1.00 0.00 0.00 64.86 63.95 2ky4 h ILE 59 Cb 1.02 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2ky4 h ILE 59 CO 0.07 0.54 0.08 -0.08 0.00 0.00 0.00 178.15 178.75 2ky4 h GLU 60 N 0.05 0.38 -0.88 2.37 4.81 -1.13 -2.02 114.58 118.17 2ky4 h GLU 60 Ca -0.00 -0.08 0.18 0.00 -0.13 0.00 0.00 59.36 59.33 2ky4 h GLU 60 Cb 0.98 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.24 2ky4 h GLU 60 CO 0.07 0.45 0.57 0.78 -0.73 0.00 0.00 179.01 180.16 2ky4 h GLY 61 N 0.23 0.96 2.00 1.92 0.00 -1.38 -1.06 103.07 105.73 2ky4 h GLY 61 Ca 0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2ky4 h GLY 61 CO -0.00 0.03 -0.28 1.41 0.00 0.00 0.00 176.54 177.69 2ky4 h LEU 62 N 0.49 0.00 0.00 3.11 3.38 -1.05 -2.74 115.31 118.50 2ky4 h LEU 62 Ca 0.45 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 2ky4 h LEU 62 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2ky4 h LEU 62 CO -0.18 0.28 -0.49 1.23 0.09 0.00 0.00 178.44 179.37 2ky4 h GLY 63 N 1.54 0.00 -0.42 0.83 0.00 -0.53 -3.17 103.07 101.32 2ky4 h GLY 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ky4 h GLY 63 CO 0.04 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.86 2ky4 n TYR 64 N -3.16 0.17 -2.99 5.60 4.02 -0.63 -4.81 117.16 115.37 2ky4 n TYR 64 Ca 0.01 -0.09 -0.40 0.00 -0.01 0.00 0.00 57.90 57.42 2ky4 n TYR 64 Cb 0.70 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.97 2ky4 n TYR 64 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2ky4 s SER 65 N -1.43 7.05 0.39 7.72 0.15 -1.12 -4.96 113.70 121.50 2ky4 s SER 65 Ca 0.27 1.27 0.27 0.00 0.70 0.00 0.00 55.95 58.45 2ky4 s SER 65 Cb 0.14 -2.44 1.39 0.00 -1.71 0.00 0.00 66.02 63.40 2ky4 s SER 65 CO 0.21 -0.15 1.83 -0.55 1.20 0.00 0.00 173.24 175.78 2ky4 h ASN 66 N 6.78 0.00 0.91 5.45 -1.07 -1.90 -2.60 115.58 123.15 2ky4 h ASN 66 Ca -0.41 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 55.92 2ky4 h ASN 66 Cb 1.20 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.46 2ky4 h ASN 66 CO 0.75 0.00 -0.44 0.25 0.07 0.00 0.00 177.43 178.07 2ky4 h LEU 67 N 0.00 -1.04 -1.31 6.14 5.85 -1.93 -0.64 115.31 122.38 2ky4 h LEU 67 Ca 0.00 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.88 2ky4 h LEU 67 Cb 0.11 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 2ky4 h LEU 67 CO 0.00 -0.71 0.56 0.22 -0.34 0.00 0.00 178.44 178.17 2ky4 h TYR 68 N -1.30 0.80 -0.04 1.25 3.20 -1.76 -2.33 116.97 116.79 2ky4 h TYR 68 Ca -0.13 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 2ky4 h TYR 68 Cb 0.94 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2ky4 h TYR 68 CO -0.00 0.32 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.60 2ky4 h LEU 69 N 0.70 0.06 0.10 2.82 -0.00 -1.36 -3.14 115.31 114.48 2ky4 h LEU 69 Ca 0.42 -0.01 -0.36 0.00 -0.00 0.00 0.00 57.88 57.92 2ky4 h LEU 69 Cb 0.63 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.25 2ky4 h LEU 69 CO -0.18 0.24 -2.05 2.29 -0.00 0.00 0.00 178.44 178.74 2ky4 n LYS 70 N -4.30 0.73 -0.03 1.13 2.85 -0.26 -2.41 118.16 115.87 2ky4 n LYS 70 Ca -0.02 0.26 -0.08 0.00 -1.05 0.00 0.00 58.31 57.41 2ky4 n LYS 70 Cb 0.26 -1.68 -0.07 0.00 -0.65 0.00 0.00 35.03 32.89 2ky4 n LYS 70 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2ky4 h GLU 71 N -0.00 -0.06 0.00 -1.58 4.11 -1.57 -3.35 114.58 112.12 2ky4 h GLU 71 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 2ky4 h GLU 71 Cb 1.97 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.24 2ky4 h GLU 71 CO 0.04 0.44 -0.22 0.74 0.07 0.00 0.00 179.01 180.07 2ky4 h PHE 72 N -0.96 0.00 -0.48 2.06 0.04 -1.82 -3.42 116.94 112.35 2ky4 h PHE 72 Ca -0.01 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2ky4 h PHE 72 Cb 0.53 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.62 2ky4 h PHE 72 CO 0.13 0.11 0.18 -0.92 -0.60 0.00 0.00 178.31 177.21 2ky4 h TYR 73 N -1.00 0.32 0.27 -0.55 3.20 -1.64 -2.07 116.97 115.51 2ky4 h TYR 73 Ca -0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2ky4 h TYR 73 Cb 0.28 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2ky4 h TYR 73 CO -0.06 0.11 -0.13 1.15 -1.64 0.00 0.00 178.16 177.60 2ky4 h THR 74 N 0.36 0.58 0.00 1.81 2.02 -1.61 -3.33 112.91 112.75 2ky4 h THR 74 Ca 0.23 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 2ky4 h THR 74 Cb 0.23 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2ky4 h THR 74 CO -0.23 0.14 -0.46 1.55 0.37 0.00 0.00 175.52 176.89 2ky4 h PRO 75 N -0.92 0.00 -6.00 6.66 0.13 -1.76 -3.44 132.00 126.67 2ky4 h PRO 75 Ca -0.04 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.48 2ky4 h PRO 75 Cb 0.50 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 2ky4 h PRO 75 CO 0.06 0.46 -0.24 0.71 -0.23 0.00 0.00 178.00 178.76 2ky4 s TYR 76 N -3.75 3.69 0.50 1.56 2.02 -0.78 -5.07 117.35 115.52 2ky4 s TYR 76 Ca -0.01 0.92 -0.22 0.00 -0.37 0.00 0.00 57.07 57.38 2ky4 s TYR 76 Cb 0.12 -2.23 -0.08 0.00 -0.40 0.00 0.00 41.96 39.37 2ky4 s TYR 76 CO 0.72 0.63 1.02 -2.30 -1.57 0.00 0.00 175.55 174.05 2ky4 n PRO 77 N 1.66 1.24 -0.18 -1.71 -0.02 -1.26 -4.71 135.00 130.02 2ky4 n PRO 77 Ca -0.13 0.46 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 2ky4 n PRO 77 Cb 0.53 -2.14 0.15 0.00 -0.02 0.00 0.00 33.50 32.01 2ky4 n PRO 77 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2ky4 n ASN 78 N -0.06 -0.07 0.23 2.55 4.05 -1.26 -0.72 115.26 119.98 2ky4 n ASN 78 Ca 0.11 0.89 0.11 0.00 0.45 0.00 0.00 54.58 56.13 2ky4 n ASN 78 Cb 0.43 -0.32 0.50 0.00 1.23 0.00 0.00 39.78 41.62 2ky4 n ASN 78 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2ky4 h THR 79 N 0.00 0.53 0.00 -0.44 2.02 -1.95 -3.05 112.91 110.02 2ky4 h THR 79 Ca 0.32 -1.02 -0.25 0.00 0.77 0.00 0.00 66.41 66.22 2ky4 h THR 79 Cb 0.65 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 2ky4 h THR 79 CO -0.49 0.20 -1.66 1.17 0.37 0.00 0.00 175.52 175.10 2ky4 n LYS 80 N -3.41 0.63 0.25 6.66 3.00 0.10 -3.85 118.16 121.55 2ky4 n LYS 80 Ca -0.00 0.24 0.10 0.00 -0.00 0.00 0.00 58.31 58.64 2ky4 n LYS 80 Cb 0.40 -1.77 0.67 0.00 0.00 0.00 0.00 35.03 34.33 2ky4 n LYS 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2ky4 h VAL 81 N 0.00 0.83 -0.16 3.15 2.07 -0.99 -2.93 116.25 118.22 2ky4 h VAL 81 Ca -0.26 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2ky4 h VAL 81 Cb 1.86 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2ky4 h VAL 81 CO 0.06 0.11 0.01 0.40 0.02 0.00 0.00 177.57 178.17 2ky4 h ILE 82 N 0.00 1.24 0.06 4.57 2.04 -1.65 0.98 117.51 124.76 2ky4 h ILE 82 Ca -0.00 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 2ky4 h ILE 82 Cb 0.23 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2ky4 h ILE 82 CO 0.01 0.24 -0.03 1.05 0.00 0.00 0.00 178.15 179.42 2ky4 h GLU 83 N 0.03 -0.08 -1.52 2.37 4.11 -1.69 -0.39 114.58 117.42 2ky4 h GLU 83 Ca 0.05 0.01 0.45 0.00 0.07 0.00 0.00 59.36 59.93 2ky4 h GLU 83 Cb 0.35 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2ky4 h GLU 83 CO 0.01 0.15 1.07 -0.07 0.07 0.00 0.00 179.01 180.24 2ky4 h LEU 84 N -1.01 0.07 0.00 3.06 3.38 -1.70 -2.15 115.31 116.98 2ky4 h LEU 84 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ky4 h LEU 84 Cb 0.26 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2ky4 h LEU 84 CO 0.01 -0.03 -0.03 1.23 0.09 0.00 0.00 178.44 179.71 2ky4 h GLY 85 N 0.04 0.02 1.82 0.83 0.00 -0.67 -3.03 103.07 102.09 2ky4 h GLY 85 Ca 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 48.06 2ky4 h GLY 85 CO -0.10 0.03 0.11 -0.84 0.00 0.00 0.00 176.54 175.74 2ky4 h THR 86 N -0.78 1.03 0.15 4.70 2.02 -0.74 -1.47 112.91 117.82 2ky4 h THR 86 Ca -0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2ky4 h THR 86 Cb 0.84 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2ky4 h THR 86 CO 0.01 0.04 -0.07 0.50 0.37 0.00 0.00 175.52 176.36 2ky4 h LYS 87 N 0.21 -0.20 -0.92 6.66 3.64 -0.82 0.12 116.57 125.27 2ky4 h LYS 87 Ca 0.06 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.72 2ky4 h LYS 87 Cb -0.00 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2ky4 h LYS 87 CO -0.01 0.09 0.65 0.45 -2.27 0.00 0.00 179.45 178.36 2ky4 h HIS 88 N -1.00 0.06 0.00 1.91 3.86 -1.47 -2.21 115.15 116.31 2ky4 h HIS 88 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2ky4 h HIS 88 Cb 0.38 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2ky4 h HIS 88 CO 0.06 0.01 -0.13 1.19 0.86 0.00 0.00 177.93 179.92 2ky4 n PHE 89 N -4.29 0.00 0.17 2.45 3.72 -0.56 -3.78 117.46 115.17 2ky4 n PHE 89 Ca 0.19 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.61 2ky4 n PHE 89 Cb 0.95 -0.06 0.27 0.00 -0.94 0.00 0.00 39.48 39.71 2ky4 n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2ky4 h LEU 90 N -0.13 0.00 -0.29 4.37 3.38 -0.92 -3.48 115.31 118.24 2ky4 h LEU 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ky4 h LEU 90 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2ky4 h LEU 90 CO 0.00 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.62 2ky4 n GLY 91 N 0.12 0.79 2.57 0.83 0.00 -0.82 -4.74 105.19 103.93 2ky4 n GLY 91 Ca -0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 2ky4 n GLY 91 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ky4 n ARG 92 N -0.78 0.65 -3.57 1.61 1.85 -1.21 -4.83 116.66 110.38 2ky4 n ARG 92 Ca 0.00 -1.84 -0.20 0.00 -1.00 0.00 0.00 57.85 54.81 2ky4 n ARG 92 Cb 0.40 1.98 -0.01 0.00 -1.05 0.00 0.00 32.46 33.78 2ky4 n ARG 92 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ky4 s ALA 93 N -2.14 4.12 1.24 2.89 0.00 -1.26 -2.08 121.76 124.52 2ky4 s ALA 93 Ca 0.17 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 2ky4 s ALA 93 Cb -0.02 -1.50 0.30 0.00 0.00 0.00 0.00 23.12 21.91 2ky4 s ALA 93 CO 0.12 -0.03 1.02 -1.25 0.00 0.00 0.00 175.76 175.62 2ky4 s PRO 94 N -4.12 -1.48 0.00 0.00 0.04 -1.26 -5.00 135.00 123.18 2ky4 s PRO 94 Ca 0.44 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2ky4 s PRO 94 Cb -0.08 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2ky4 s PRO 94 CO 0.30 -3.99 0.00 -0.89 0.04 0.00 0.00 177.00 172.46 2ky4 n ILE 95 N -5.04 0.00 -2.39 0.56 5.41 -1.26 -5.09 119.36 111.55 2ky4 n ILE 95 Ca 0.07 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.58 2ky4 n ILE 95 Cb 0.57 -0.19 0.08 0.00 -0.71 0.00 0.00 39.64 39.39 2ky4 n ILE 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ky4 s ASP 96 N 0.90 4.70 0.01 4.38 2.15 -1.26 -4.99 116.67 122.56 2ky4 s ASP 96 Ca 0.00 0.12 0.22 0.00 0.43 0.00 0.00 52.55 53.32 2ky4 s ASP 96 Cb 0.00 -0.73 0.92 0.00 -0.30 0.00 0.00 42.92 42.82 2ky4 s ASP 96 CO 0.00 -1.63 1.69 1.67 -0.17 0.00 0.00 175.17 176.74 2ky4 n GLN 97 N -2.81 0.01 -0.13 4.34 -0.06 -1.26 -3.04 117.38 114.43 2ky4 n GLN 97 Ca 0.10 0.13 -0.09 0.00 -2.00 0.00 0.00 57.00 55.14 2ky4 n GLN 97 Cb 0.60 -1.51 0.05 0.00 -4.06 0.00 0.00 30.24 25.32 2ky4 n GLN 97 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ky4 h ALA 98 N 2.74 0.81 0.05 1.69 0.00 -1.98 0.70 119.26 123.27 2ky4 h ALA 98 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2ky4 h ALA 98 Cb 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2ky4 h ALA 98 CO 0.00 0.65 -0.25 0.93 0.00 0.00 0.00 179.25 180.58 2ky4 h GLU 99 N 0.79 -0.40 -0.44 0.00 3.07 -1.94 -2.01 114.58 113.65 2ky4 h GLU 99 Ca 0.11 0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 2ky4 h GLU 99 Cb 0.72 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 2ky4 h GLU 99 CO 0.06 -0.27 0.01 0.82 -1.40 0.00 0.00 179.01 178.23 2ky4 h ILE 100 N -0.42 1.23 -0.08 3.13 2.04 -1.53 -3.02 117.51 118.87 2ky4 h ILE 100 Ca 0.05 -0.92 -0.23 0.00 1.00 0.00 0.00 64.86 64.75 2ky4 h ILE 100 Cb 0.48 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2ky4 h ILE 100 CO -0.19 0.32 -0.88 0.03 0.00 0.00 0.00 178.15 177.44 2ky4 h ARG 101 N 0.67 0.67 0.58 2.37 3.08 0.48 -0.93 114.38 121.31 2ky4 h ARG 101 Ca 0.14 -0.62 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 2ky4 h ARG 101 Cb 0.40 0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.61 2ky4 h ARG 101 CO 0.01 1.23 -0.28 -0.22 -1.07 0.00 0.00 179.97 179.64 2ky4 h LYS 102 N 0.43 -0.75 0.26 0.04 3.64 -1.34 -1.46 116.57 117.39 2ky4 h LYS 102 Ca -0.08 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2ky4 h LYS 102 Cb 1.51 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2ky4 h LYS 102 CO 0.17 -0.46 -0.12 1.88 -2.27 0.00 0.00 179.45 178.65 2ky4 h TYR 103 N -0.90 -0.32 -0.85 1.91 0.05 -1.57 -0.74 116.97 114.55 2ky4 h TYR 103 Ca -0.08 -0.01 0.19 0.00 0.05 0.00 0.00 58.73 58.89 2ky4 h TYR 103 Cb 0.64 0.11 -0.15 0.00 1.01 0.00 0.00 36.73 38.33 2ky4 h TYR 103 CO -0.01 -0.15 -0.07 -0.97 -1.05 0.00 0.00 178.16 175.91 2ky4 h ASN 104 N -0.42 -0.54 -0.15 3.88 -0.73 -1.23 0.19 115.58 116.58 2ky4 h ASN 104 Ca -0.04 0.24 -0.20 0.00 1.87 0.00 0.00 56.30 58.17 2ky4 h ASN 104 Cb 0.32 0.44 0.01 0.00 0.27 0.00 0.00 38.32 39.36 2ky4 h ASN 104 CO 0.06 -0.26 -0.69 -0.61 -0.37 0.00 0.00 177.43 175.56 2ky4 h GLN 105 N 0.05 0.73 0.52 6.67 5.75 -1.11 -2.26 115.11 125.45 2ky4 h GLN 105 Ca 0.46 -0.59 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2ky4 h GLN 105 Cb 0.81 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.48 2ky4 h GLN 105 CO -0.80 1.20 -0.26 0.82 -2.65 0.00 0.00 178.83 177.14 2ky4 h ILE 106 N 0.43 0.48 -0.28 2.39 2.04 -0.67 -0.97 117.51 120.94 2ky4 h ILE 106 Ca -0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2ky4 h ILE 106 Cb 1.32 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 2ky4 h ILE 106 CO 0.14 0.00 -0.25 0.25 0.00 0.00 0.00 178.15 178.30 2ky4 h LEU 107 N -0.70 -0.80 -0.11 1.44 6.46 -1.08 -0.64 115.31 119.87 2ky4 h LEU 107 Ca -0.07 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2ky4 h LEU 107 Cb 0.54 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 2ky4 h LEU 107 CO 0.11 -0.28 0.03 0.00 -0.62 0.00 0.00 178.44 177.68 2ky4 h ALA 108 N 0.83 0.12 0.18 1.25 0.00 -1.29 -1.25 119.26 119.10 2ky4 h ALA 108 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2ky4 h ALA 108 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ky4 h ALA 108 CO -0.41 -0.42 -0.09 1.79 0.00 0.00 0.00 179.25 180.12 2ky4 h THR 109 N 0.08 0.93 0.00 0.00 1.35 -1.20 -3.43 112.91 110.64 2ky4 h THR 109 Ca 0.05 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2ky4 h THR 109 Cb 0.03 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2ky4 h THR 109 CO -0.06 0.18 -0.71 0.00 -0.25 0.00 0.00 175.52 174.68 2ky4 n GLN 110 N -5.02 0.38 -2.55 4.72 6.02 -0.26 -5.10 117.38 115.57 2ky4 n GLN 110 Ca -0.09 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2ky4 n GLN 110 Cb 0.25 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.36 2ky4 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ky4 n GLY 111 N 1.62 -0.80 0.21 1.08 0.00 -0.48 -4.98 105.19 101.85 2ky4 n GLY 111 Ca -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 2ky4 n GLY 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ky4 h ILE 112 N 0.00 1.30 0.45 -0.61 6.09 -1.91 -2.68 117.51 120.14 2ky4 h ILE 112 Ca 0.00 -1.48 -0.02 0.00 -1.37 0.00 0.00 64.86 61.99 2ky4 h ILE 112 Cb 0.00 1.58 0.00 0.00 0.47 0.00 0.00 36.82 38.88 2ky4 h ILE 112 CO 0.00 0.45 -0.21 0.03 -3.07 0.00 0.00 178.15 175.35 2ky4 h ARG 113 N 0.31 -0.58 -0.99 2.19 3.08 -1.93 0.22 114.38 116.68 2ky4 h ARG 113 Ca 0.03 0.04 0.28 0.00 0.07 0.00 0.00 59.98 60.40 2ky4 h ARG 113 Cb 0.81 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 2ky4 h ARG 113 CO 0.06 -0.28 0.70 0.00 -1.07 0.00 0.00 179.97 179.39 2ky4 h ALA 114 N -0.44 2.83 -0.01 0.04 0.00 -1.93 -0.35 119.26 119.39 2ky4 h ALA 114 Ca -0.06 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2ky4 h ALA 114 Cb 0.56 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2ky4 h ALA 114 CO 0.10 -1.12 -0.73 0.35 0.00 0.00 0.00 179.25 177.85 2ky4 h PHE 115 N 0.06 0.75 0.09 0.00 3.57 -1.03 -2.99 116.94 117.40 2ky4 h PHE 115 Ca 0.48 -0.40 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2ky4 h PHE 115 Cb 1.81 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.46 2ky4 h PHE 115 CO -0.00 1.22 -0.04 0.82 -2.23 0.00 0.00 178.31 178.08 2ky4 h ILE 116 N 0.07 1.16 -1.11 1.41 1.08 0.05 -2.87 117.51 117.29 2ky4 h ILE 116 Ca -0.09 -1.28 0.37 0.00 -0.39 0.00 0.00 64.86 63.47 2ky4 h ILE 116 Cb 1.42 1.93 -0.14 0.00 -3.07 0.00 0.00 36.82 36.95 2ky4 h ILE 116 CO 0.14 0.29 0.67 -1.13 -0.69 0.00 0.00 178.15 177.44 2ky4 h ASN 117 N -0.74 0.39 -0.18 1.72 -1.24 -1.27 0.14 115.58 114.39 2ky4 h ASN 117 Ca -0.01 0.17 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 2ky4 h ASN 117 Cb 0.57 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 2ky4 h ASN 117 CO 0.02 -0.17 -0.02 0.00 -1.29 0.00 0.00 177.43 175.97 2ky4 h ALA 118 N 1.76 1.42 0.00 1.57 0.00 -1.35 -1.72 119.26 120.95 2ky4 h ALA 118 Ca 0.77 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 2ky4 h ALA 118 Cb 2.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2ky4 h ALA 118 CO -0.53 0.41 -0.20 -0.07 0.00 0.00 0.00 179.25 178.85 2ky4 h LEU 119 N 0.44 0.00 -0.73 0.00 3.38 -0.95 -3.22 115.31 114.22 2ky4 h LEU 119 Ca 0.10 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2ky4 h LEU 119 Cb 0.32 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.93 2ky4 h LEU 119 CO 0.01 0.61 -0.22 0.58 0.09 0.00 0.00 178.44 179.50 2ky4 h VAL 120 N -1.00 0.23 -0.61 1.22 2.07 -0.90 -1.83 116.25 115.42 2ky4 h VAL 120 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2ky4 h VAL 120 Cb 0.21 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2ky4 h VAL 120 CO -0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 2ky4 n ASN 121 N -5.48 5.29 -4.79 0.57 3.02 -0.65 -4.50 115.26 108.71 2ky4 n ASN 121 Ca 0.09 -2.70 -0.30 0.00 -0.03 0.00 0.00 54.58 51.64 2ky4 n ASN 121 Cb 0.38 -0.64 0.09 0.00 -0.61 0.00 0.00 39.78 39.01 2ky4 n ASN 121 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ky4 s SER 122 N -0.86 4.43 0.46 6.41 1.04 -0.69 -4.97 113.70 119.52 2ky4 s SER 122 Ca 0.53 1.38 0.26 0.00 0.48 0.00 0.00 55.95 58.61 2ky4 s SER 122 Cb 0.38 -2.12 0.94 0.00 0.10 0.00 0.00 66.02 65.32 2ky4 s SER 122 CO 0.20 -2.02 1.83 -0.61 0.98 0.00 0.00 173.24 173.62 2ky4 h GLN 123 N -1.12 0.00 0.25 4.02 4.15 -1.91 -3.07 115.11 117.42 2ky4 h GLN 123 Ca -0.47 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 2ky4 h GLN 123 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2ky4 h GLN 123 CO 0.58 0.16 -0.12 1.49 -1.93 0.00 0.00 178.83 179.01 2ky4 h GLU 124 N 0.00 -0.32 -0.87 1.69 4.57 -1.93 -0.25 114.58 117.47 2ky4 h GLU 124 Ca -0.00 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2ky4 h GLU 124 Cb 0.74 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.36 2ky4 h GLU 124 CO 0.02 -0.03 0.47 -0.92 -1.18 0.00 0.00 179.01 177.38 2ky4 h TYR 125 N -0.60 1.19 -0.76 0.92 5.03 -1.82 -1.90 116.97 119.02 2ky4 h TYR 125 Ca -0.03 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.29 2ky4 h TYR 125 Cb 0.44 -0.38 -0.05 0.00 1.55 0.00 0.00 36.73 38.28 2ky4 h TYR 125 CO 0.01 0.83 0.47 -0.97 -1.32 0.00 0.00 178.16 177.18 2ky4 h ASN 126 N 1.21 0.76 0.06 -2.11 -1.24 -1.42 0.12 115.58 112.95 2ky4 h ASN 126 Ca 0.30 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.18 2ky4 h ASN 126 Cb 0.03 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 2ky4 h ASN 126 CO -0.05 0.51 -0.71 -0.33 -1.29 0.00 0.00 177.43 175.56 2ky4 h GLU 127 N 0.90 0.12 -0.36 6.67 5.08 -0.92 -3.08 114.58 123.00 2ky4 h GLU 127 Ca 0.32 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 2ky4 h GLU 127 Cb 0.09 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2ky4 h GLU 127 CO -0.14 1.10 -0.30 0.28 -1.00 0.00 0.00 179.01 178.95 2ky4 h VAL 128 N -0.71 1.28 0.00 3.13 2.07 -1.39 -3.42 116.25 117.22 2ky4 h VAL 128 Ca -0.16 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2ky4 h VAL 128 Cb 1.37 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2ky4 h VAL 128 CO 0.01 0.48 -0.03 0.49 0.02 0.00 0.00 177.57 178.55 2ky4 n PHE 129 N -4.18 0.00 0.00 1.57 3.72 -0.34 -5.09 117.46 113.14 2ky4 n PHE 129 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2ky4 n PHE 129 Cb 0.49 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 2ky4 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ky4 n GLY 130 N 3.10 0.78 0.00 1.37 0.00 0.27 -4.61 105.19 106.10 2ky4 n GLY 130 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2ky4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ky4 n GLU 131 N 0.00 0.00 -2.92 1.61 4.71 -1.26 -4.63 120.64 118.14 2ky4 n GLU 131 Ca 0.00 0.19 -0.41 0.00 -0.01 0.00 0.00 57.16 56.94 2ky4 n GLU 131 Cb 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.81 2ky4 n GLU 131 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2ky4 n ASP 132 N -1.82 6.44 -3.69 1.62 8.00 -1.26 -1.16 116.55 124.68 2ky4 n ASP 132 Ca 0.00 -3.51 -0.12 0.00 0.71 0.00 0.00 54.79 51.87 2ky4 n ASP 132 Cb 0.00 -1.17 -0.12 0.00 -0.02 0.00 0.00 41.12 39.81 2ky4 n ASP 132 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ky4 s THR 133 N -3.32 -0.28 0.26 -3.53 2.01 -1.26 -3.54 115.64 105.98 2ky4 s THR 133 Ca 0.35 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 2ky4 s THR 133 Cb 0.11 -0.49 -0.09 0.00 0.01 0.00 0.00 72.50 72.04 2ky4 s THR 133 CO 0.02 0.08 1.19 -0.69 -0.69 0.00 0.00 174.62 174.53 2ky4 s VAL 134 N 1.96 3.29 -0.86 3.82 1.01 -0.98 -4.79 120.40 123.86 2ky4 s VAL 134 Ca -0.04 1.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 2ky4 s VAL 134 Cb -0.11 -3.78 -0.20 0.00 0.00 0.00 0.00 36.38 32.29 2ky4 s VAL 134 CO -0.10 0.26 2.32 -2.65 0.00 0.00 0.00 175.10 174.93 2ky4 n PRO 135 N 1.56 0.37 -1.41 2.72 -0.02 -1.26 -4.87 135.00 132.09 2ky4 n PRO 135 Ca 0.01 -0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 60.61 2ky4 n PRO 135 Cb 0.44 -2.85 0.14 0.00 -0.02 0.00 0.00 33.50 31.22 2ky4 n PRO 135 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2ky4 s TYR 136 N 10.20 2.40 -0.69 6.00 -0.85 -1.26 -4.87 117.35 128.27 2ky4 s TYR 136 Ca 1.05 0.93 -0.26 0.00 -0.52 0.00 0.00 57.07 58.27 2ky4 s TYR 136 Cb -0.35 -3.32 -0.12 0.00 0.38 0.00 0.00 41.96 38.55 2ky4 s TYR 136 CO 0.23 -2.49 2.42 2.89 -1.52 0.00 0.00 175.55 177.09 2ky4 n ARG 137 N -3.87 0.71 0.13 -3.49 1.85 -1.26 -4.74 116.66 105.99 2ky4 n ARG 137 Ca 0.06 -0.58 0.01 0.00 -1.00 0.00 0.00 57.85 56.34 2ky4 n ARG 137 Cb 0.58 -3.61 0.07 0.00 -1.05 0.00 0.00 32.46 28.45 2ky4 n ARG 137 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ky4 h ARG 138 N 14.98 0.00 -6.15 2.89 3.08 -1.91 -3.46 114.38 123.82 2ky4 h ARG 138 Ca -0.08 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.39 2ky4 h ARG 138 Cb 1.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 2ky4 h ARG 138 CO 1.06 0.60 -0.31 -0.06 -1.07 0.00 0.00 179.97 180.18 2ky4 s PHE 139 N -3.09 3.48 -2.00 3.04 0.08 -1.26 -5.01 117.98 113.23 2ky4 s PHE 139 Ca 0.02 0.56 0.14 0.00 0.12 0.00 0.00 56.93 57.77 2ky4 s PHE 139 Cb 0.09 -2.01 0.84 0.00 -0.57 0.00 0.00 43.02 41.37 2ky4 s PHE 139 CO 0.75 0.45 1.28 -2.30 -0.10 0.00 0.00 175.22 175.30 2ky4 n PRO 140 N 0.18 0.59 -3.55 0.24 -0.02 -1.26 -4.90 135.00 126.27 2ky4 n PRO 140 Ca -0.03 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.21 2ky4 n PRO 140 Cb 0.52 -1.37 0.05 0.00 -0.02 0.00 0.00 33.50 32.68 2ky4 n PRO 140 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ky4 n THR 141 N -0.87 -6.64 -2.58 3.45 -2.24 -1.26 -4.88 114.28 99.25 2ky4 n THR 141 Ca 0.10 -1.00 -0.43 0.00 -2.27 0.00 0.00 64.05 60.46 2ky4 n THR 141 Cb 0.05 -4.93 -0.00 0.00 -2.10 0.00 0.00 70.33 63.35 2ky4 n THR 141 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ky4 s LEU 142 N -6.17 3.82 -0.28 3.22 1.43 -1.26 -4.86 118.68 114.57 2ky4 s LEU 142 Ca 0.38 -2.35 -0.01 0.00 -1.03 0.00 0.00 54.13 51.12 2ky4 s LEU 142 Cb -0.10 -2.58 0.09 0.00 0.03 0.00 0.00 46.19 43.63 2ky4 s LEU 142 CO 0.81 -1.20 0.06 -0.70 0.23 0.00 0.00 176.35 175.55 2ky4 s GLU 143 N 4.28 0.89 0.47 1.70 2.56 -1.26 -5.02 118.70 122.32 2ky4 s GLU 143 Ca 0.53 -1.01 0.27 0.00 0.00 0.00 0.00 54.97 54.76 2ky4 s GLU 143 Cb 0.04 -2.19 0.97 0.00 2.00 0.00 0.00 34.13 34.94 2ky4 s GLU 143 CO 0.06 -0.87 1.84 1.25 -0.56 0.00 0.00 175.26 176.98 2ky4 h HIS 144 N 8.06 0.00 -2.17 5.30 -0.00 -2.03 -3.44 115.15 120.87 2ky4 h HIS 144 Ca -0.14 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.66 2ky4 h HIS 144 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 2ky4 h HIS 144 CO 0.37 0.13 1.40 -1.58 -0.00 0.00 0.00 177.93 178.25 2ky4 s HIS 145 N -3.57 1.27 -0.74 5.26 5.04 -1.26 -4.91 115.29 116.38 2ky4 s HIS 145 Ca 0.02 0.29 -0.26 0.00 -1.54 0.00 0.00 55.06 53.57 2ky4 s HIS 145 Cb 0.09 -4.02 -0.04 0.00 0.04 0.00 0.00 32.58 28.65 2ky4 s HIS 145 CO 0.61 -4.34 1.94 -1.58 -2.34 0.00 0.00 174.74 169.02 2ky4 s HIS 146 N 7.11 1.69 0.44 3.88 2.46 -1.26 -4.97 115.29 124.64 2ky4 s HIS 146 Ca 0.95 0.79 0.07 0.00 0.47 0.00 0.00 55.06 57.34 2ky4 s HIS 146 Cb -0.34 -4.03 -0.01 0.00 -0.13 0.00 0.00 32.58 28.07 2ky4 s HIS 146 CO 0.36 -2.05 0.38 -3.38 -2.47 0.00 0.00 174.74 167.59 2ky4 s HIS 147 N 9.82 2.47 0.93 3.88 -3.43 -1.26 -5.14 115.29 122.56 2ky4 s HIS 147 Ca 0.70 -0.57 -0.12 0.00 -0.80 0.00 0.00 55.06 54.28 2ky4 s HIS 147 Cb -0.10 -2.11 0.15 0.00 -1.43 0.00 0.00 32.58 29.08 2ky4 s HIS 147 CO 0.11 -0.19 1.09 -1.58 -2.00 0.00 0.00 174.74 172.17 2ky4 s HIS 148 N -2.54 2.21 -1.43 0.38 2.46 -1.26 -5.26 115.29 109.85 2ky4 s HIS 148 Ca 0.46 1.23 0.00 0.00 0.47 0.00 0.00 55.06 57.22 2ky4 s HIS 148 Cb -0.02 -3.18 0.00 0.00 -0.13 0.00 0.00 32.58 29.25 2ky4 s HIS 148 CO 0.27 -2.57 0.36 -2.39 -2.47 0.00 0.00 174.74 167.94