#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp0 n PHE 7 N 0.00 0.77 0.18 -0.67 7.35 -1.26 -3.85 117.46 119.98 3kp0 n PHE 7 Ca 0.00 0.21 0.04 0.00 -0.76 0.00 0.00 57.45 56.94 3kp0 n PHE 7 Cb 0.00 -1.12 0.45 0.00 0.35 0.00 0.00 39.48 39.16 3kp0 n PHE 7 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 3kp0 h GLN 8 N 0.03 0.09 0.11 -4.13 1.08 -2.05 -0.61 115.11 109.63 3kp0 h GLN 8 Ca -0.43 -0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 56.48 3kp0 h GLN 8 Cb 2.04 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 29.45 3kp0 h GLN 8 CO 0.05 0.27 -1.24 0.37 -0.95 0.00 0.00 178.83 177.33 3kp0 h GLN 9 N 0.09 0.24 0.00 1.46 4.15 -2.02 -3.27 115.11 115.76 3kp0 h GLN 9 Ca 0.02 -0.41 -0.11 0.00 0.77 0.00 0.00 58.65 58.92 3kp0 h GLN 9 Cb 0.37 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 3kp0 h GLN 9 CO 0.02 1.18 -0.52 0.00 -1.93 0.00 0.00 178.83 177.58 3kp0 h ARG 10 N 0.06 0.00 0.00 1.69 3.08 -1.48 -2.64 114.38 115.10 3kp0 h ARG 10 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3kp0 h ARG 10 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.00 3kp0 h ARG 10 CO 0.19 0.52 -0.16 2.89 -1.07 0.00 0.00 179.97 182.34 3kp0 n ARG 11 N -3.54 0.13 -0.28 0.04 1.85 -0.31 -4.25 116.66 110.31 3kp0 n ARG 11 Ca -0.00 0.08 0.07 0.00 -1.00 0.00 0.00 57.85 57.00 3kp0 n ARG 11 Cb 0.61 -1.62 0.19 0.00 -1.05 0.00 0.00 32.46 30.59 3kp0 n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kp0 h ALA 12 N 2.78 0.88 0.00 2.89 0.00 -1.51 0.10 119.26 124.39 3kp0 h ALA 12 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kp0 h ALA 12 Cb 0.61 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kp0 h ALA 12 CO 0.00 -0.44 0.00 -2.39 0.00 0.00 0.00 179.25 176.42 3kp0 n HIS 13 N -5.36 0.00 -0.02 0.00 1.44 -1.26 -2.85 115.22 107.17 3kp0 n HIS 13 Ca 0.16 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.95 3kp0 n HIS 13 Cb 0.53 -0.49 -0.16 0.00 0.12 0.00 0.00 29.99 30.00 3kp0 n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kp0 n LEU 14 N -1.49 0.00 -0.36 2.39 4.77 0.35 -4.61 117.00 118.05 3kp0 n LEU 14 Ca 0.03 0.00 0.32 0.00 -0.03 0.00 0.00 56.01 56.33 3kp0 n LEU 14 Cb 0.14 0.05 0.66 0.00 -2.33 0.00 0.00 43.42 41.95 3kp0 n LEU 14 CO 0.12 0.05 1.29 0.00 -1.33 0.00 0.00 177.39 177.52 3kp0 h ALA 15 N 1.75 2.82 0.00 -1.18 0.00 -1.45 0.63 119.26 121.83 3kp0 h ALA 15 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kp0 h ALA 15 Cb 1.07 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kp0 h ALA 15 CO 0.00 -1.22 -0.63 0.09 0.00 0.00 0.00 179.25 177.49 3kp0 n ASN 16 N -4.38 0.58 -4.77 0.00 5.03 -1.26 -4.90 115.26 105.56 3kp0 n ASN 16 Ca 0.28 -0.17 -0.40 0.00 0.87 0.00 0.00 54.58 55.16 3kp0 n ASN 16 Cb 1.19 0.33 0.01 0.00 -1.02 0.00 0.00 39.78 40.28 3kp0 n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kp0 s LEU 17 N -3.46 4.18 1.03 3.41 1.43 0.21 -5.01 118.68 120.47 3kp0 s LEU 17 Ca 0.09 2.82 -0.14 0.00 -1.03 0.00 0.00 54.13 55.86 3kp0 s LEU 17 Cb 0.16 -3.89 0.20 0.00 0.03 0.00 0.00 46.19 42.69 3kp0 s LEU 17 CO 0.73 -1.00 1.13 -0.94 0.23 0.00 0.00 176.35 176.49 3kp0 s SER 18 N -0.56 2.42 0.50 2.29 1.04 -1.26 -4.79 113.70 113.33 3kp0 s SER 18 Ca 0.58 0.91 0.25 0.00 0.48 0.00 0.00 55.95 58.17 3kp0 s SER 18 Cb -0.42 -1.40 1.32 0.00 0.10 0.00 0.00 66.02 65.63 3kp0 s SER 18 CO 0.54 -3.23 2.03 0.44 0.98 0.00 0.00 173.24 174.00 3kp0 h ASP 19 N -1.96 0.00 0.68 7.02 3.32 -1.99 -1.15 116.42 122.34 3kp0 h ASP 19 Ca -0.51 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 3kp0 h ASP 19 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 3kp0 h ASP 19 CO 0.52 0.15 -1.37 -0.62 -1.72 0.00 0.00 179.24 176.20 3kp0 n GLU 20 N -3.70 0.62 0.08 3.56 4.71 -1.26 -2.84 120.64 121.81 3kp0 n GLU 20 Ca -0.02 0.09 -0.11 0.00 -0.01 0.00 0.00 57.16 57.12 3kp0 n GLU 20 Cb 0.27 -1.75 -0.04 0.00 -1.01 0.00 0.00 31.44 28.90 3kp0 n GLU 20 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3kp0 h GLU 21 N 0.00 0.24 -0.26 3.49 5.08 -1.83 -2.74 114.58 118.56 3kp0 h GLU 21 Ca -0.07 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 3kp0 h GLU 21 Cb 1.23 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3kp0 h GLU 21 CO 0.01 1.03 -0.22 1.25 -1.00 0.00 0.00 179.01 180.08 3kp0 h LEU 22 N 0.12 0.49 -0.15 1.33 5.85 -1.28 -1.82 115.31 119.85 3kp0 h LEU 22 Ca -0.06 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.31 3kp0 h LEU 22 Cb 1.61 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.51 3kp0 h LEU 22 CO 0.15 0.71 -0.66 -0.61 -0.34 0.00 0.00 178.44 177.69 3kp0 h GLN 23 N 0.44 0.72 -0.40 1.25 4.15 -1.54 -1.70 115.11 118.02 3kp0 h GLN 23 Ca 0.07 -0.57 0.01 0.00 0.77 0.00 0.00 58.65 58.93 3kp0 h GLN 23 Cb 0.62 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 3kp0 h GLN 23 CO 0.04 1.18 0.26 1.15 -1.93 0.00 0.00 178.83 179.53 3kp0 h THR 24 N 0.42 1.08 -0.41 2.39 2.02 -1.32 -1.91 112.91 115.18 3kp0 h THR 24 Ca -0.04 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 3kp0 h THR 24 Cb 1.29 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3kp0 h THR 24 CO 0.14 0.10 -0.19 -0.09 0.37 0.00 0.00 175.52 175.85 3kp0 h ARG 25 N 0.52 0.79 -0.92 6.66 2.43 -1.30 -0.17 114.38 122.40 3kp0 h ARG 25 Ca 0.15 -0.30 0.12 0.00 -0.81 0.00 0.00 59.98 59.14 3kp0 h ARG 25 Cb -0.04 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.39 3kp0 h ARG 25 CO -0.05 0.92 0.59 0.35 -1.51 0.00 0.00 179.97 180.27 3kp0 h PHE 26 N 0.70 0.95 0.00 2.20 3.57 -0.87 -2.41 116.94 121.08 3kp0 h PHE 26 Ca 0.10 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 3kp0 h PHE 26 Cb 0.69 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3kp0 h PHE 26 CO 0.04 0.38 -1.07 -1.49 -2.23 0.00 0.00 178.31 173.94 3kp0 h TRP 27 N 0.83 0.00 -0.30 0.41 4.06 -0.54 -2.80 115.95 117.61 3kp0 h TRP 27 Ca 0.45 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.30 3kp0 h TRP 27 Cb 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 3kp0 h TRP 27 CO -0.00 0.36 -0.19 0.93 -3.56 0.00 0.00 178.44 175.98 3kp0 h GLU 28 N 0.00 0.66 -0.07 0.49 5.08 -0.75 -1.63 114.58 118.36 3kp0 h GLU 28 Ca -0.08 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3kp0 h GLU 28 Cb 1.35 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 3kp0 h GLU 28 CO 0.03 0.90 0.02 0.52 -1.00 0.00 0.00 179.01 179.48 3kp0 h MET 29 N 0.41 0.11 -0.77 2.33 2.86 -1.55 0.05 114.93 118.36 3kp0 h MET 29 Ca 0.06 -0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.80 3kp0 h MET 29 Cb 0.73 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.24 3kp0 h MET 29 CO 0.05 0.28 -0.40 0.00 1.06 0.00 0.00 176.91 177.91 3kp0 h ALA 30 N 0.82 -0.06 -0.66 6.32 0.00 -1.41 0.23 119.26 124.50 3kp0 h ALA 30 Ca 0.02 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3kp0 h ALA 30 Cb 0.22 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3kp0 h ALA 30 CO -0.00 -0.71 0.17 1.49 0.00 0.00 0.00 179.25 180.20 3kp0 h GLU 31 N -0.10 1.05 -0.65 0.00 4.81 -0.97 -2.11 114.58 116.61 3kp0 h GLU 31 Ca 0.26 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3kp0 h GLU 31 Cb 0.56 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 3kp0 h GLU 31 CO -0.82 0.93 0.33 0.87 -0.73 0.00 0.00 179.01 179.59 3kp0 h LYS 32 N 0.97 0.57 -0.76 1.92 1.57 0.32 -1.63 116.57 119.54 3kp0 h LYS 32 Ca 0.21 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3kp0 h LYS 32 Cb 0.35 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3kp0 h LYS 32 CO -0.00 0.38 0.29 0.82 -0.57 0.00 0.00 179.45 180.36 3kp0 h ILE 33 N 0.58 1.26 0.00 1.86 2.04 0.03 -3.22 117.51 120.06 3kp0 h ILE 33 Ca 0.31 -0.83 -0.16 0.00 1.00 0.00 0.00 64.86 65.18 3kp0 h ILE 33 Cb 0.27 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3kp0 h ILE 33 CO -0.23 0.34 -0.89 -0.37 0.00 0.00 0.00 178.15 177.00 3kp0 h VAL 34 N 1.11 1.03 -0.67 1.67 -1.51 -1.19 -3.38 116.25 113.31 3kp0 h VAL 34 Ca 0.25 -2.54 0.13 0.00 -1.23 0.00 0.00 66.70 63.32 3kp0 h VAL 34 Cb 0.24 2.47 -0.13 0.00 -2.13 0.00 0.00 31.29 31.74 3kp0 h VAL 34 CO -0.02 0.59 -0.17 0.44 -1.23 0.00 0.00 177.57 177.18 3kp0 h ASP 35 N 0.00 -0.63 0.22 4.19 3.32 -1.31 0.48 116.42 122.69 3kp0 h ASP 35 Ca -0.05 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3kp0 h ASP 35 Cb 1.57 0.42 -0.00 0.00 0.22 0.00 0.00 39.33 41.54 3kp0 h ASP 35 CO 0.08 -0.22 -0.09 -0.65 -1.72 0.00 0.00 179.24 176.64 3kp0 h PRO 36 N -0.00 0.00 -0.05 3.56 0.11 -1.75 -2.26 132.00 131.61 3kp0 h PRO 36 Ca 0.32 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.39 3kp0 h PRO 36 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kp0 h PRO 36 CO -0.69 0.09 -0.13 -0.07 -0.21 0.00 0.00 178.00 176.98 3kp0 h LEU 37 N 0.00 0.20 -2.00 2.35 3.38 -0.30 -2.77 115.31 116.16 3kp0 h LEU 37 Ca -0.00 -0.61 0.10 0.00 0.09 0.00 0.00 57.88 57.46 3kp0 h LEU 37 Cb 0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kp0 h LEU 37 CO 0.01 0.77 0.26 -0.07 0.09 0.00 0.00 178.44 179.50 3kp0 h LEU 38 N -0.37 0.00 -0.22 1.67 3.38 -1.06 -1.69 115.31 117.02 3kp0 h LEU 38 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kp0 h LEU 38 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3kp0 h LEU 38 CO 0.03 0.00 0.13 0.44 0.09 0.00 0.00 178.44 179.13 3kp0 h ASP 39 N 0.00 0.26 -0.94 -0.43 3.32 -1.16 -2.57 116.42 114.90 3kp0 h ASP 39 Ca 0.17 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.27 3kp0 h ASP 39 Cb 0.69 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.09 3kp0 h ASP 39 CO -0.00 0.24 0.58 -0.07 -1.72 0.00 0.00 179.24 178.26 3kp0 h LEU 40 N 0.26 0.84 -0.54 1.55 3.38 -1.04 -1.68 115.31 118.07 3kp0 h LEU 40 Ca 0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kp0 h LEU 40 Cb 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3kp0 h LEU 40 CO -0.01 0.46 0.00 1.23 0.09 0.00 0.00 178.44 180.21 3kp0 h GLY 41 N 0.93 0.00 1.48 0.83 0.00 -1.36 -2.83 103.07 102.13 3kp0 h GLY 41 Ca 0.46 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.55 3kp0 h GLY 41 CO -0.26 0.00 -1.33 0.50 0.00 0.00 0.00 176.54 175.45 3kp0 h LYS 42 N 0.00 0.00 -0.01 4.80 1.57 -0.92 -3.39 116.57 118.62 3kp0 h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kp0 h LYS 42 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3kp0 h LYS 42 CO 0.00 0.71 -0.54 1.63 -0.57 0.00 0.00 179.45 180.69 3kp0 n LYS 43 N -3.18 1.82 -4.23 3.15 5.02 -1.03 -5.01 118.16 114.69 3kp0 n LYS 43 Ca -0.08 -0.39 -0.13 0.00 -2.02 0.00 0.00 58.31 55.69 3kp0 n LYS 43 Cb 0.98 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.64 3kp0 n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kp0 s ASN 44 N -2.19 1.04 0.31 4.39 0.01 -1.07 -5.10 114.94 112.33 3kp0 s ASN 44 Ca 0.09 -1.19 0.03 0.00 -0.71 0.00 0.00 52.86 51.08 3kp0 s ASN 44 Cb 0.12 0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.90 3kp0 s ASN 44 CO 0.52 -0.61 0.13 0.28 -1.51 0.00 0.00 177.10 175.91 3kp0 s THR 45 N -3.74 0.52 0.19 1.60 -1.32 -1.26 -4.80 115.64 106.83 3kp0 s THR 45 Ca 0.25 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.67 3kp0 s THR 45 Cb 0.06 -2.55 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 3kp0 s THR 45 CO 0.04 0.00 0.23 0.42 -2.21 0.00 0.00 174.62 173.10 3kp0 s THR 46 N -3.55 0.03 0.33 5.08 -4.23 -1.26 -5.04 115.64 106.99 3kp0 s THR 46 Ca 0.35 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.19 3kp0 s THR 46 Cb 0.06 -2.22 0.30 0.00 1.34 0.00 0.00 72.50 71.98 3kp0 s THR 46 CO 0.16 -0.14 1.87 -0.65 -0.54 0.00 0.00 174.62 175.32 3kp0 h PRO 47 N 2.56 0.81 -0.13 3.99 0.11 -1.99 -1.86 132.00 135.49 3kp0 h PRO 47 Ca -0.33 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.55 3kp0 h PRO 47 Cb 1.24 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kp0 h PRO 47 CO 0.49 0.54 -0.68 0.66 -0.21 0.00 0.00 178.00 178.80 3kp0 h SER 48 N 0.83 0.62 -0.74 -2.05 4.64 -1.99 -0.22 113.55 114.64 3kp0 h SER 48 Ca 0.45 -0.38 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3kp0 h SER 48 Cb 0.55 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 3kp0 h SER 48 CO -0.21 1.12 0.28 0.40 -0.87 0.00 0.00 176.83 177.55 3kp0 h ILE 49 N 0.38 1.25 -0.16 0.95 2.04 -1.83 -1.35 117.51 118.79 3kp0 h ILE 49 Ca -0.02 -0.82 -0.14 0.00 1.00 0.00 0.00 64.86 64.88 3kp0 h ILE 49 Cb 1.25 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3kp0 h ILE 49 CO 0.12 0.33 -0.45 -0.33 0.00 0.00 0.00 178.15 177.83 3kp0 h GLU 50 N 1.07 0.58 -0.97 2.37 4.39 -1.07 -0.79 114.58 120.16 3kp0 h GLU 50 Ca 0.25 -0.42 0.14 0.00 0.34 0.00 0.00 59.36 59.67 3kp0 h GLU 50 Cb 0.23 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.87 3kp0 h GLU 50 CO -0.02 1.04 0.61 0.00 -1.16 0.00 0.00 179.01 179.48 3kp0 h ARG 51 N 0.23 0.84 0.00 2.33 3.08 -1.01 -1.51 114.38 118.34 3kp0 h ARG 51 Ca -0.01 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 3kp0 h ARG 51 Cb 1.07 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3kp0 h ARG 51 CO 0.10 0.55 -0.46 0.66 -1.07 0.00 0.00 179.97 179.75 3kp0 h SER 52 N 0.86 0.00 0.01 7.04 4.64 -0.81 0.41 113.55 125.70 3kp0 h SER 52 Ca 0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3kp0 h SER 52 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3kp0 h SER 52 CO -0.27 0.46 -0.01 0.58 -0.87 0.00 0.00 176.83 176.73 3kp0 h VAL 53 N 0.00 1.32 -0.57 0.95 2.07 -0.61 -2.89 116.25 116.52 3kp0 h VAL 53 Ca -0.00 -1.00 0.11 0.00 0.82 0.00 0.00 66.70 66.63 3kp0 h VAL 53 Cb 1.18 2.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.85 3kp0 h VAL 53 CO 0.06 0.26 0.00 -0.07 0.02 0.00 0.00 177.57 177.84 3kp0 h LEU 54 N -0.45 -0.25 -0.88 2.57 3.38 -1.09 -1.66 115.31 116.94 3kp0 h LEU 54 Ca -0.00 0.14 0.21 0.00 0.09 0.00 0.00 57.88 58.32 3kp0 h LEU 54 Cb 0.43 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.31 3kp0 h LEU 54 CO 0.00 -0.09 0.37 -0.07 0.09 0.00 0.00 178.44 178.73 3kp0 h LEU 55 N 0.12 0.29 0.00 1.67 3.38 -0.20 0.15 115.31 120.72 3kp0 h LEU 55 Ca 0.29 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3kp0 h LEU 55 Cb 0.46 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kp0 h LEU 55 CO -0.48 -0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.59 3kp0 n ARG 56 N -5.05 0.01 0.00 1.13 1.74 -0.66 -3.36 116.66 110.48 3kp0 n ARG 56 Ca 0.21 0.12 0.10 0.00 -0.77 0.00 0.00 57.85 57.52 3kp0 n ARG 56 Cb 0.62 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 3kp0 n ARG 56 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kp0 n MET 57 N -1.49 1.20 0.00 5.56 2.81 0.52 -4.94 117.12 120.77 3kp0 n MET 57 Ca 0.05 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.08 3kp0 n MET 57 Cb 0.25 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 3kp0 n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kp0 n GLY 58 N 1.38 1.96 3.45 3.03 0.00 -1.12 -4.84 105.19 109.06 3kp0 n GLY 58 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3kp0 n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kp0 s PHE 59 N -2.00 2.32 0.42 1.61 0.08 -1.11 -5.01 117.98 114.29 3kp0 s PHE 59 Ca 0.00 -0.34 -0.09 0.00 0.12 0.00 0.00 56.93 56.63 3kp0 s PHE 59 Cb 0.00 -1.09 -0.05 0.00 -0.57 0.00 0.00 43.02 41.31 3kp0 s PHE 59 CO 0.00 0.59 0.76 -1.54 -0.10 0.00 0.00 175.22 174.93 3kp0 s SER 60 N -3.03 6.44 0.39 1.36 1.04 -1.26 -4.38 113.70 114.25 3kp0 s SER 60 Ca 0.25 1.05 0.15 0.00 0.48 0.00 0.00 55.95 57.88 3kp0 s SER 60 Cb -0.07 -2.29 0.99 0.00 0.10 0.00 0.00 66.02 64.75 3kp0 s SER 60 CO 0.12 -0.45 1.83 0.77 0.98 0.00 0.00 173.24 176.50 3kp0 h SER 61 N 0.96 0.51 0.26 7.02 4.64 -1.98 0.18 113.55 125.15 3kp0 h SER 61 Ca -0.47 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3kp0 h SER 61 Cb 1.19 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kp0 h SER 61 CO 0.63 0.19 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.59 3kp0 h LEU 62 N 0.50 -0.30 -0.74 5.97 3.38 -2.00 -2.37 115.31 119.75 3kp0 h LEU 62 Ca 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 3kp0 h LEU 62 Cb 1.12 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3kp0 h LEU 62 CO -0.23 -0.06 0.39 -0.33 0.09 0.00 0.00 178.44 178.30 3kp0 h GLU 63 N -0.53 1.05 -0.99 1.13 5.08 -1.67 -2.75 114.58 115.90 3kp0 h GLU 63 Ca -0.04 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3kp0 h GLU 63 Cb 0.39 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 3kp0 h GLU 63 CO 0.06 0.80 0.65 0.00 -1.00 0.00 0.00 179.01 179.51 3kp0 h ALA 64 N 1.20 1.39 0.54 3.43 0.00 -0.68 -1.09 119.26 124.05 3kp0 h ALA 64 Ca 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3kp0 h ALA 64 Cb 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kp0 h ALA 64 CO -0.04 0.49 -0.26 -0.22 0.00 0.00 0.00 179.25 179.22 3kp0 h LYS 65 N 1.21 -0.70 -0.66 0.00 3.64 -1.24 -0.67 116.57 118.15 3kp0 h LYS 65 Ca 0.41 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.95 3kp0 h LYS 65 Cb 0.09 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 31.95 3kp0 h LYS 65 CO -0.15 -0.44 -0.37 0.00 -2.27 0.00 0.00 179.45 176.22 3kp0 h ALA 66 N -0.35 -0.08 0.80 5.00 0.00 -1.16 0.32 119.26 123.79 3kp0 h ALA 66 Ca -0.07 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kp0 h ALA 66 Cb 0.58 0.87 0.01 0.00 0.00 0.00 0.00 17.79 19.25 3kp0 h ALA 66 CO 0.12 -0.71 -0.38 0.82 0.00 0.00 0.00 179.25 179.10 3kp0 h ILE 67 N -0.15 0.03 -1.00 0.00 2.04 -1.17 -1.10 117.51 116.16 3kp0 h ILE 67 Ca 0.24 -0.20 0.19 0.00 1.00 0.00 0.00 64.86 66.09 3kp0 h ILE 67 Cb 0.56 0.04 -0.11 0.00 -0.74 0.00 0.00 36.82 36.57 3kp0 h ILE 67 CO -0.73 0.00 0.61 0.58 0.00 0.00 0.00 178.15 178.61 3kp0 h VAL 68 N -1.27 0.70 -0.41 1.67 2.07 -0.74 0.75 116.25 119.02 3kp0 h VAL 68 Ca -0.11 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3kp0 h VAL 68 Cb 0.83 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3kp0 h VAL 68 CO 0.18 0.14 0.07 0.44 0.02 0.00 0.00 177.57 178.42 3kp0 h ASP 69 N 0.75 0.65 -0.15 0.57 3.32 -0.28 -0.86 116.42 120.43 3kp0 h ASP 69 Ca 0.58 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 3kp0 h ASP 69 Cb 0.92 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 3kp0 h ASP 69 CO -0.38 0.74 -0.14 0.11 -1.72 0.00 0.00 179.24 177.85 3kp0 h LYS 70 N 0.53 0.52 -0.50 3.56 1.57 0.20 -2.10 116.57 120.36 3kp0 h LYS 70 Ca 0.13 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3kp0 h LYS 70 Cb 0.37 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3kp0 h LYS 70 CO 0.01 0.65 0.21 1.15 -0.57 0.00 0.00 179.45 180.90 3kp0 h THR 71 N 0.48 1.18 0.00 -0.16 2.02 0.66 -3.11 112.91 113.99 3kp0 h THR 71 Ca 0.09 -0.56 -0.22 0.00 0.77 0.00 0.00 66.41 66.49 3kp0 h THR 71 Cb 0.53 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3kp0 h THR 71 CO 0.03 0.22 -1.09 -0.03 0.37 0.00 0.00 175.52 175.03 3kp0 h MET 72 N 0.71 0.00 0.00 6.66 4.05 -0.87 -1.48 114.93 124.00 3kp0 h MET 72 Ca 0.17 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3kp0 h MET 72 Cb 0.13 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 3kp0 h MET 72 CO -0.02 0.94 -0.09 -0.44 0.23 0.00 0.00 176.91 177.53 3kp0 h ASP 73 N 0.00 0.00 -0.29 1.39 3.32 -1.32 -2.54 116.42 116.98 3kp0 h ASP 73 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3kp0 h ASP 73 Cb 1.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.35 3kp0 h ASP 73 CO 0.12 0.09 0.00 0.54 -1.72 0.00 0.00 179.24 178.28 3kp0 n ARG 74 N -3.23 3.08 -4.09 3.56 1.74 -1.20 -4.98 116.66 111.53 3kp0 n ARG 74 Ca 0.00 -2.81 -0.33 0.00 -0.77 0.00 0.00 57.85 53.95 3kp0 n ARG 74 Cb 0.36 -1.83 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 3kp0 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kp0 n GLY 75 N -0.33 -0.42 0.48 -0.13 0.00 -0.96 -4.87 105.19 98.97 3kp0 n GLY 75 Ca 0.21 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.45 3kp0 n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kp0 n LEU 76 N -4.46 1.96 -0.32 0.99 4.32 -0.56 -4.59 117.00 114.33 3kp0 n LEU 76 Ca -0.01 -0.96 0.21 0.00 -0.02 0.00 0.00 56.01 55.23 3kp0 n LEU 76 Cb 0.54 0.00 0.42 0.00 -1.62 0.00 0.00 43.42 42.76 3kp0 n LEU 76 CO 0.81 0.37 1.01 0.24 -1.22 0.00 0.00 177.39 178.60 3kp0 h MET 77 N 2.34 0.17 0.00 3.23 2.86 -1.90 0.48 114.93 122.12 3kp0 h MET 77 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3kp0 h MET 77 Cb 0.52 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3kp0 h MET 77 CO 0.00 0.11 0.05 0.41 1.06 0.00 0.00 176.91 178.54 3kp0 n GLY 78 N -1.34 -0.57 0.08 8.32 0.00 -1.26 -0.23 105.19 110.19 3kp0 n GLY 78 Ca 0.29 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.45 3kp0 n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kp0 n LYS 79 N -1.70 0.63 -0.35 1.61 4.76 0.16 -5.06 118.16 118.20 3kp0 n LYS 79 Ca -0.00 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3kp0 n LYS 79 Cb 0.06 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 3kp0 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kp0 n GLY 80 N 1.28 -0.67 0.30 0.72 0.00 0.67 -4.55 105.19 102.94 3kp0 n GLY 80 Ca -0.05 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.13 3kp0 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp0 h ALA 81 N 0.00 0.70 0.00 4.61 0.00 -1.84 0.81 119.26 123.54 3kp0 h ALA 81 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kp0 h ALA 81 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kp0 h ALA 81 CO 0.00 -0.43 0.00 0.78 0.00 0.00 0.00 179.25 179.60 3kp0 h GLY 82 N 0.03 0.00 0.81 0.00 0.00 -1.90 -1.64 103.07 100.37 3kp0 h GLY 82 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 3kp0 h GLY 82 CO -0.80 0.00 0.02 0.84 0.00 0.00 0.00 176.54 176.60 3kp0 h HIS 83 N 0.00 0.21 -0.16 5.60 6.17 -1.09 -2.61 115.15 123.26 3kp0 h HIS 83 Ca 0.00 -0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.09 3kp0 h HIS 83 Cb 0.65 -0.06 -0.07 0.00 2.52 0.00 0.00 27.41 30.45 3kp0 h HIS 83 CO 0.00 0.38 -0.48 0.82 0.71 0.00 0.00 177.93 179.35 3kp0 h ILE 84 N -0.01 0.07 -0.68 6.26 1.08 -0.79 -0.95 117.51 122.49 3kp0 h ILE 84 Ca 0.04 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.60 3kp0 h ILE 84 Cb 0.28 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.05 3kp0 h ILE 84 CO 0.00 0.00 0.45 0.58 -0.69 0.00 0.00 178.15 178.49 3kp0 h VAL 85 N -0.52 0.93 0.59 1.67 2.07 -1.51 -0.88 116.25 118.60 3kp0 h VAL 85 Ca 0.06 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3kp0 h VAL 85 Cb 0.65 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3kp0 h VAL 85 CO -0.44 0.10 -0.29 0.22 0.02 0.00 0.00 177.57 177.19 3kp0 h TYR 86 N 0.56 -0.74 -0.53 1.57 3.20 -0.81 -2.01 116.97 118.22 3kp0 h TYR 86 Ca 0.31 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.05 3kp0 h TYR 86 Cb 0.48 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3kp0 h TYR 86 CO -0.00 -0.41 -0.12 0.87 -1.64 0.00 0.00 178.16 176.85 3kp0 h LYS 87 N -0.97 1.00 0.00 1.82 1.79 -0.93 -0.70 116.57 118.59 3kp0 h LYS 87 Ca -0.08 -0.38 -0.03 0.00 -2.18 0.00 0.00 60.65 57.98 3kp0 h LYS 87 Cb 0.66 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 3kp0 h LYS 87 CO 0.13 1.06 -0.15 0.82 -1.08 0.00 0.00 179.45 180.24 3kp0 h ILE 88 N 0.89 0.55 0.08 1.86 1.08 -1.25 0.15 117.51 120.86 3kp0 h ILE 88 Ca 0.14 -0.68 -0.25 0.00 -0.39 0.00 0.00 64.86 63.67 3kp0 h ILE 88 Cb 0.69 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 3kp0 h ILE 88 CO 0.05 0.14 -1.19 0.00 -0.69 0.00 0.00 178.15 176.47 3kp0 h ALA 89 N 1.85 0.22 0.00 1.87 0.00 -0.65 -3.15 119.26 119.40 3kp0 h ALA 89 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3kp0 h ALA 89 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kp0 h ALA 89 CO 0.02 1.10 -0.37 1.63 0.00 0.00 0.00 179.25 181.63 3kp0 n LYS 90 N -3.45 0.18 0.00 0.00 5.02 -0.34 -2.25 118.16 117.32 3kp0 n LYS 90 Ca -0.06 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.43 3kp0 n LYS 90 Cb 1.00 -1.64 0.25 0.00 -0.02 0.00 0.00 35.03 34.62 3kp0 n LYS 90 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kp0 n GLU 91 N -1.91 0.18 0.00 1.97 -0.58 0.44 -4.26 120.64 116.47 3kp0 n GLU 91 Ca 0.05 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3kp0 n GLU 91 Cb 0.40 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.77 3kp0 n GLU 91 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kp0 n LYS 92 N -1.32 3.10 -3.66 3.49 4.76 -1.19 -5.00 118.16 118.33 3kp0 n LYS 92 Ca 0.07 -0.25 -0.27 0.00 -2.87 0.00 0.00 58.31 54.99 3kp0 n LYS 92 Cb 0.34 -0.75 0.02 0.00 -1.84 0.00 0.00 35.03 32.80 3kp0 n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kp0 n ASN 93 N -0.51 -4.84 -4.91 4.39 5.03 -0.95 -5.01 115.26 108.45 3kp0 n ASN 93 Ca 0.00 -0.62 -0.21 0.00 0.87 0.00 0.00 54.58 54.62 3kp0 n ASN 93 Cb 0.00 -3.89 -0.01 0.00 -1.02 0.00 0.00 39.78 34.85 3kp0 n ASN 93 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3kp0 s ILE 94 N -3.20 2.52 0.27 2.41 -4.36 -1.13 -5.09 121.20 112.63 3kp0 s ILE 94 Ca 0.56 -1.29 -0.21 0.00 -0.26 0.00 0.00 60.65 59.45 3kp0 s ILE 94 Cb -0.28 -2.81 -0.09 0.00 1.25 0.00 0.00 42.46 40.54 3kp0 s ILE 94 CO 0.69 0.00 0.81 -0.94 0.24 0.00 0.00 174.94 175.74 3kp0 s SER 95 N -4.23 7.11 0.14 4.36 1.04 -1.26 -4.65 113.70 116.21 3kp0 s SER 95 Ca 0.48 1.55 -0.02 0.00 0.48 0.00 0.00 55.95 58.45 3kp0 s SER 95 Cb -0.04 -2.47 0.28 0.00 0.10 0.00 0.00 66.02 63.89 3kp0 s SER 95 CO 0.29 -0.04 0.73 0.52 0.98 0.00 0.00 173.24 175.72 3kp0 n VAL 96 N 0.50 -0.20 -0.12 5.02 0.31 -1.26 0.56 118.33 123.15 3kp0 n VAL 96 Ca 0.00 1.06 -0.09 0.00 -0.01 0.00 0.00 64.34 65.30 3kp0 n VAL 96 Cb 0.51 -1.50 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 3kp0 n VAL 96 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3kp0 h ARG 97 N 0.00 0.51 -0.08 5.55 9.65 -1.91 -0.40 114.38 127.70 3kp0 h ARG 97 Ca 0.25 -0.07 -0.19 0.00 -1.10 0.00 0.00 59.98 58.87 3kp0 h ARG 97 Cb 0.45 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 3kp0 h ARG 97 CO -0.46 0.44 -0.76 0.93 2.80 0.00 0.00 179.97 182.91 3kp0 h GLU 98 N 0.45 0.45 0.14 0.20 4.39 -0.25 -1.09 114.58 118.87 3kp0 h GLU 98 Ca 0.12 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.46 3kp0 h GLU 98 Cb 0.09 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3kp0 h GLU 98 CO -0.02 1.02 -0.24 0.00 -1.16 0.00 0.00 179.01 178.61 3kp0 h ALA 99 N 0.87 -0.42 0.59 3.43 0.00 0.08 -1.13 119.26 122.67 3kp0 h ALA 99 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3kp0 h ALA 99 Cb 1.35 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 3kp0 h ALA 99 CO 0.13 -0.78 -0.35 0.78 0.00 0.00 0.00 179.25 179.04 3kp0 h GLY 100 N -0.45 -0.94 0.27 0.00 0.00 -1.00 -1.76 103.07 99.18 3kp0 h GLY 100 Ca 0.02 0.39 0.16 0.00 0.00 0.00 0.00 47.33 47.90 3kp0 h GLY 100 CO -0.12 -0.34 0.60 -2.00 0.00 0.00 0.00 176.54 174.69 3kp0 h LEU 101 N -0.88 0.82 -0.33 3.11 5.85 -1.20 0.82 115.31 123.49 3kp0 h LEU 101 Ca -0.07 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3kp0 h LEU 101 Cb 0.71 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3kp0 h LEU 101 CO 0.08 0.35 0.17 0.00 -0.34 0.00 0.00 178.44 178.71 3kp0 h ALA 102 N 1.60 0.41 -0.05 1.25 0.00 -0.82 -2.05 119.26 119.60 3kp0 h ALA 102 Ca 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 3kp0 h ALA 102 Cb 0.72 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kp0 h ALA 102 CO -0.34 -0.20 -0.04 -0.07 0.00 0.00 0.00 179.25 178.61 3kp0 h LEU 103 N 0.36 0.06 -0.51 0.00 3.38 0.00 -1.78 115.31 116.83 3kp0 h LEU 103 Ca 0.14 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 3kp0 h LEU 103 Cb 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kp0 h LEU 103 CO -0.09 0.12 -0.71 0.77 0.09 0.00 0.00 178.44 178.62 3kp0 h SER 104 N 0.07 0.25 -0.18 -0.43 4.64 -0.57 -1.34 113.55 116.00 3kp0 h SER 104 Ca 0.02 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3kp0 h SER 104 Cb 0.12 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3kp0 h SER 104 CO 0.01 0.88 0.00 -0.62 -0.87 0.00 0.00 176.83 176.23 3kp0 n GLU 105 N -3.78 1.46 -2.20 4.77 1.02 -0.97 -4.81 120.64 116.12 3kp0 n GLU 105 Ca -0.03 -0.66 -0.06 0.00 -0.02 0.00 0.00 57.16 56.39 3kp0 n GLU 105 Cb 0.69 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 3kp0 n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kp0 n GLY 106 N 0.75 0.19 3.96 0.62 0.00 -0.50 -5.05 105.19 105.15 3kp0 n GLY 106 Ca 0.06 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 3kp0 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kp0 s LYS 107 N -4.43 2.88 -0.87 1.61 1.02 -0.71 -4.57 119.74 114.67 3kp0 s LYS 107 Ca 0.02 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.80 3kp0 s LYS 107 Cb -0.01 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 3kp0 s LYS 107 CO 0.03 -0.09 0.00 0.66 -0.92 0.00 0.00 175.35 175.03 3kp0 n TYR 108 N -1.66 -0.23 -0.10 3.18 4.01 -1.26 -4.16 117.16 116.94 3kp0 n TYR 108 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 3kp0 n TYR 108 Cb 0.59 -2.14 -0.04 0.00 -0.31 0.00 0.00 39.34 37.44 3kp0 n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3kp0 h TRP 109 N 0.00 0.89 -0.63 -0.72 4.06 -1.94 0.21 115.95 117.81 3kp0 h TRP 109 Ca -0.17 -0.26 0.10 0.00 2.06 0.00 0.00 58.89 60.62 3kp0 h TRP 109 Cb 0.77 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 28.67 3kp0 h TRP 109 CO 0.38 1.01 0.26 -0.44 -3.56 0.00 0.00 178.44 176.09 3kp0 h ASP 110 N 0.51 0.28 -0.50 -3.49 3.45 -1.94 0.03 116.42 114.76 3kp0 h ASP 110 Ca 0.06 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3kp0 h ASP 110 Cb 0.84 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.63 3kp0 h ASP 110 CO 0.07 0.16 0.32 0.44 -1.57 0.00 0.00 179.24 178.67 3kp0 h ASP 111 N 0.45 0.58 -0.27 6.45 3.32 -1.92 -2.11 116.42 122.91 3kp0 h ASP 111 Ca 0.32 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.40 3kp0 h ASP 111 Cb 0.39 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kp0 h ASP 111 CO -0.30 0.42 0.19 0.00 -1.72 0.00 0.00 179.24 177.83 3kp0 h ALA 112 N 1.18 2.06 0.00 3.45 0.00 0.04 -2.39 119.26 123.60 3kp0 h ALA 112 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kp0 h ALA 112 Cb -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kp0 h ALA 112 CO -0.04 -0.12 -0.15 0.82 0.00 0.00 0.00 179.25 179.76 3kp0 h ILE 113 N 0.16 0.63 -0.01 0.00 2.04 -0.31 -3.51 117.51 116.51 3kp0 h ILE 113 Ca 0.12 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3kp0 h ILE 113 Cb 0.29 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3kp0 h ILE 113 CO -0.02 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.28