#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp1 h PHE 7 N 0.00 0.21 -0.90 -0.67 3.57 -2.04 0.67 116.94 117.78 3kp1 h PHE 7 Ca 0.00 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3kp1 h PHE 7 Cb 0.00 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 3kp1 h PHE 7 CO 0.00 -0.08 0.58 1.96 -2.23 0.00 0.00 178.31 178.54 3kp1 h GLN 8 N 0.25 0.87 0.03 1.11 1.08 -2.07 -0.19 115.11 116.18 3kp1 h GLN 8 Ca 0.37 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.47 3kp1 h GLN 8 Cb 0.60 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3kp1 h GLN 8 CO -0.48 0.57 -0.21 1.96 -0.95 0.00 0.00 178.83 179.73 3kp1 h GLN 9 N 0.89 0.09 -0.23 1.46 4.20 -1.80 -3.37 115.11 116.36 3kp1 h GLN 9 Ca 0.42 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 59.03 3kp1 h GLN 9 Cb 0.41 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3kp1 h GLN 9 CO -0.18 1.00 0.16 0.00 -0.67 0.00 0.00 178.83 179.14 3kp1 h ARG 10 N -0.74 0.12 -0.00 1.46 3.08 0.66 -2.83 114.38 116.12 3kp1 h ARG 10 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kp1 h ARG 10 Cb 1.09 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3kp1 h ARG 10 CO 0.04 0.08 -0.01 2.89 -1.07 0.00 0.00 179.97 181.91 3kp1 n ARG 11 N -4.49 0.95 -0.27 0.04 1.85 -0.11 -4.42 116.66 110.21 3kp1 n ARG 11 Ca 0.02 -0.09 0.06 0.00 -1.00 0.00 0.00 57.85 56.84 3kp1 n ARG 11 Cb 0.21 -1.50 0.18 0.00 -1.05 0.00 0.00 32.46 30.31 3kp1 n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kp1 h ALA 12 N 3.92 0.86 0.00 2.89 0.00 -1.70 0.85 119.26 126.08 3kp1 h ALA 12 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kp1 h ALA 12 Cb 0.11 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kp1 h ALA 12 CO 0.00 -0.43 0.00 -2.39 0.00 0.00 0.00 179.25 176.43 3kp1 n HIS 13 N -5.33 0.00 0.08 0.00 1.44 -1.26 -3.11 115.22 107.04 3kp1 n HIS 13 Ca 0.15 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.97 3kp1 n HIS 13 Cb 0.51 -0.49 -0.13 0.00 0.12 0.00 0.00 29.99 30.00 3kp1 n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kp1 n LEU 14 N -1.49 0.22 -0.01 2.39 4.77 0.24 -4.64 117.00 118.48 3kp1 n LEU 14 Ca 0.06 0.03 0.18 0.00 -0.03 0.00 0.00 56.01 56.26 3kp1 n LEU 14 Cb 0.30 -0.01 0.65 0.00 -2.33 0.00 0.00 43.42 42.03 3kp1 n LEU 14 CO 0.24 -0.02 1.18 0.00 -1.33 0.00 0.00 177.39 177.46 3kp1 h ALA 15 N 2.07 2.39 -0.22 -1.18 0.00 -1.34 -2.53 119.26 118.44 3kp1 h ALA 15 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kp1 h ALA 15 Cb 0.96 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3kp1 h ALA 15 CO 0.00 -0.53 0.00 0.09 0.00 0.00 0.00 179.25 178.81 3kp1 n ASN 16 N -4.41 2.76 -4.77 0.00 3.02 -1.26 -4.98 115.26 105.63 3kp1 n ASN 16 Ca 0.09 -2.18 -0.39 0.00 -0.03 0.00 0.00 54.58 52.08 3kp1 n ASN 16 Cb 0.55 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 3kp1 n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kp1 s LEU 17 N -1.31 4.21 0.93 3.41 1.43 -0.95 -5.03 118.68 121.36 3kp1 s LEU 17 Ca 0.20 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 3kp1 s LEU 17 Cb 0.12 -3.98 0.15 0.00 0.03 0.00 0.00 46.19 42.51 3kp1 s LEU 17 CO 0.10 -0.72 1.09 -0.94 0.23 0.00 0.00 176.35 176.11 3kp1 s SER 18 N -1.01 3.09 0.25 2.29 1.04 -1.26 -4.77 113.70 113.33 3kp1 s SER 18 Ca 0.57 1.55 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 3kp1 s SER 18 Cb -0.33 -2.22 0.42 0.00 0.10 0.00 0.00 66.02 63.99 3kp1 s SER 18 CO 0.42 -2.89 1.80 0.44 0.98 0.00 0.00 173.24 173.99 3kp1 h ASP 19 N -1.72 0.66 -0.33 7.02 3.32 -1.99 -0.45 116.42 122.93 3kp1 h ASP 19 Ca -0.50 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 3kp1 h ASP 19 Cb 1.29 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3kp1 h ASP 19 CO 0.53 0.37 0.17 -0.33 -1.72 0.00 0.00 179.24 178.25 3kp1 h GLU 20 N 0.77 0.47 -0.88 3.56 3.07 -1.99 -1.64 114.58 117.94 3kp1 h GLU 20 Ca 0.41 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 3kp1 h GLU 20 Cb 0.40 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 3kp1 h GLU 20 CO -0.26 0.42 0.51 0.93 -1.40 0.00 0.00 179.01 179.20 3kp1 h GLU 21 N 0.40 1.21 -0.64 2.33 5.08 -1.73 -0.61 114.58 120.62 3kp1 h GLU 21 Ca 0.11 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3kp1 h GLU 21 Cb 0.10 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3kp1 h GLU 21 CO -0.02 0.86 0.13 1.25 -1.00 0.00 0.00 179.01 180.23 3kp1 h LEU 22 N 1.22 1.00 -0.59 1.33 5.85 -0.88 -0.24 115.31 123.00 3kp1 h LEU 22 Ca 0.31 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3kp1 h LEU 22 Cb -0.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3kp1 h LEU 22 CO -0.06 0.99 0.16 -0.61 -0.34 0.00 0.00 178.44 178.58 3kp1 h GLN 23 N 0.96 0.94 0.01 1.25 4.15 -1.01 -0.39 115.11 121.02 3kp1 h GLN 23 Ca 0.20 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.41 3kp1 h GLN 23 Cb 0.40 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3kp1 h GLN 23 CO 0.01 0.86 -0.05 1.15 -1.93 0.00 0.00 178.83 178.87 3kp1 h THR 24 N 0.85 0.88 -0.50 2.39 2.02 -0.83 -2.17 112.91 115.55 3kp1 h THR 24 Ca 0.19 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.39 3kp1 h THR 24 Cb 0.33 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3kp1 h THR 24 CO -0.00 0.00 0.30 -0.09 0.37 0.00 0.00 175.52 176.10 3kp1 h ARG 25 N -0.09 0.58 -0.41 6.66 2.43 -0.86 0.21 114.38 122.91 3kp1 h ARG 25 Ca 0.02 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3kp1 h ARG 25 Cb 0.11 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.43 3kp1 h ARG 25 CO -0.04 0.39 -0.42 0.35 -1.51 0.00 0.00 179.97 178.74 3kp1 h PHE 26 N 0.60 -1.21 -0.06 2.20 3.57 -0.88 -0.42 116.94 120.75 3kp1 h PHE 26 Ca 0.20 0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.61 3kp1 h PHE 26 Cb 0.01 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3kp1 h PHE 26 CO -0.06 -0.43 -0.64 -1.49 -2.23 0.00 0.00 178.31 173.45 3kp1 h TRP 27 N -0.32 0.29 -0.38 0.41 4.06 -1.06 -1.71 115.95 117.25 3kp1 h TRP 27 Ca 0.14 -0.12 0.07 0.00 2.06 0.00 0.00 58.89 61.04 3kp1 h TRP 27 Cb 0.58 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 28.63 3kp1 h TRP 27 CO -0.61 0.80 0.01 1.49 -3.56 0.00 0.00 178.44 176.56 3kp1 h GLU 28 N 0.16 0.11 -0.30 0.49 4.57 -0.46 -1.19 114.58 117.97 3kp1 h GLU 28 Ca -0.01 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 3kp1 h GLU 28 Cb 1.16 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 3kp1 h GLU 28 CO 0.10 0.07 -0.22 0.52 -1.18 0.00 0.00 179.01 178.30 3kp1 h MET 29 N 0.12 0.68 -0.51 1.92 2.86 -0.86 -2.03 114.93 117.11 3kp1 h MET 29 Ca 0.19 -0.33 0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3kp1 h MET 29 Cb 0.25 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.84 3kp1 h MET 29 CO -0.30 0.94 0.11 0.00 1.06 0.00 0.00 176.91 178.71 3kp1 h ALA 30 N 0.73 0.57 -0.59 6.32 0.00 -1.08 -1.31 119.26 123.91 3kp1 h ALA 30 Ca 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kp1 h ALA 30 Cb 0.78 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3kp1 h ALA 30 CO 0.06 -0.30 0.30 1.49 0.00 0.00 0.00 179.25 180.80 3kp1 h GLU 31 N 0.25 0.83 -0.92 0.00 4.81 -1.09 -2.13 114.58 116.34 3kp1 h GLU 31 Ca 0.25 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 3kp1 h GLU 31 Cb 0.34 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3kp1 h GLU 31 CO -0.33 0.66 0.58 0.87 -0.73 0.00 0.00 179.01 180.07 3kp1 h LYS 32 N 0.80 1.05 -0.46 1.92 1.57 -0.78 -1.58 116.57 119.09 3kp1 h LYS 32 Ca 0.20 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 3kp1 h LYS 32 Cb 0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3kp1 h LYS 32 CO -0.03 0.69 -0.24 0.82 -0.57 0.00 0.00 179.45 180.12 3kp1 h ILE 33 N 1.08 1.27 0.00 1.86 2.04 -0.82 -3.30 117.51 119.64 3kp1 h ILE 33 Ca 0.39 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3kp1 h ILE 33 Cb 0.13 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3kp1 h ILE 33 CO -0.16 0.48 -0.70 -0.37 0.00 0.00 0.00 178.15 177.40 3kp1 h VAL 34 N 0.81 0.00 -0.36 1.67 -1.51 -1.11 -3.38 116.25 112.37 3kp1 h VAL 34 Ca 0.10 -0.67 0.06 0.00 -1.23 0.00 0.00 66.70 64.96 3kp1 h VAL 34 Cb 0.82 1.25 -0.06 0.00 -2.13 0.00 0.00 31.29 31.17 3kp1 h VAL 34 CO 0.07 0.00 0.01 0.44 -1.23 0.00 0.00 177.57 176.86 3kp1 h ASP 35 N 0.00 -0.13 0.06 4.19 3.32 -1.37 -0.68 116.42 121.81 3kp1 h ASP 35 Ca 0.00 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3kp1 h ASP 35 Cb 0.83 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 3kp1 h ASP 35 CO 0.00 -0.03 -0.05 -0.65 -1.72 0.00 0.00 179.24 176.79 3kp1 h PRO 36 N 0.11 0.00 0.01 3.56 0.11 -1.77 -1.84 132.00 132.17 3kp1 h PRO 36 Ca 0.18 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.04 3kp1 h PRO 36 Cb 0.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.36 3kp1 h PRO 36 CO -0.29 0.05 -1.01 -0.07 -0.21 0.00 0.00 178.00 176.47 3kp1 h LEU 37 N 0.00 0.72 -0.98 2.35 3.38 -1.39 -2.33 115.31 117.06 3kp1 h LEU 37 Ca -0.00 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 3kp1 h LEU 37 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3kp1 h LEU 37 CO 0.01 1.39 0.09 -0.07 0.09 0.00 0.00 178.44 179.95 3kp1 h LEU 38 N 0.31 0.79 -0.91 1.67 3.38 -0.90 -2.66 115.31 116.99 3kp1 h LEU 38 Ca -0.11 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3kp1 h LEU 38 Cb 1.66 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 3kp1 h LEU 38 CO 0.19 0.80 0.14 -0.78 0.09 0.00 0.00 178.44 178.87 3kp1 h ASP 39 N 0.80 0.89 -0.86 -0.43 3.58 -1.23 -2.01 116.42 117.15 3kp1 h ASP 39 Ca 0.17 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 3kp1 h ASP 39 Cb 0.35 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 3kp1 h ASP 39 CO 0.01 0.87 0.53 -0.07 -2.88 0.00 0.00 179.24 177.69 3kp1 h LEU 40 N 0.90 1.02 -1.25 2.28 3.38 -1.21 -2.32 115.31 118.12 3kp1 h LEU 40 Ca 0.19 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kp1 h LEU 40 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kp1 h LEU 40 CO 0.00 0.78 -0.35 1.23 0.09 0.00 0.00 178.44 180.19 3kp1 h GLY 41 N 1.18 0.00 1.64 0.83 0.00 -1.09 -2.26 103.07 103.36 3kp1 h GLY 41 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.45 3kp1 h GLY 41 CO -0.06 0.00 -0.78 0.50 0.00 0.00 0.00 176.54 176.20 3kp1 h LYS 42 N 0.00 0.34 -0.02 4.80 1.57 -1.00 -3.35 116.57 118.91 3kp1 h LYS 42 Ca -0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3kp1 h LYS 42 Cb 0.69 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3kp1 h LYS 42 CO 0.05 0.97 -0.36 1.63 -0.57 0.00 0.00 179.45 181.16 3kp1 n LYS 43 N -3.79 1.48 -4.18 3.15 5.02 -0.91 -5.00 118.16 113.93 3kp1 n LYS 43 Ca -0.04 -1.14 -0.11 0.00 -2.02 0.00 0.00 58.31 55.00 3kp1 n LYS 43 Cb 0.74 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 34.21 3kp1 n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kp1 s ASN 44 N -2.27 0.58 0.29 4.39 0.01 -0.86 -5.08 114.94 112.00 3kp1 s ASN 44 Ca 0.19 -1.21 0.05 0.00 -0.71 0.00 0.00 52.86 51.18 3kp1 s ASN 44 Cb 0.17 0.24 -0.03 0.00 0.41 0.00 0.00 41.25 42.05 3kp1 s ASN 44 CO 0.49 -0.69 0.24 0.28 -1.51 0.00 0.00 177.10 175.91 3kp1 s THR 45 N -3.93 0.00 0.25 1.60 -1.32 -1.26 -4.78 115.64 106.20 3kp1 s THR 45 Ca 0.25 -1.99 -0.04 0.00 -1.21 0.00 0.00 61.69 58.70 3kp1 s THR 45 Cb 0.07 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.54 3kp1 s THR 45 CO 0.03 0.00 0.31 0.42 -2.21 0.00 0.00 174.62 173.17 3kp1 s THR 46 N -3.65 0.00 0.45 5.08 -4.23 -1.26 -5.03 115.64 107.00 3kp1 s THR 46 Ca 0.40 -1.76 0.19 0.00 -1.18 0.00 0.00 61.69 59.35 3kp1 s THR 46 Cb 0.04 -2.44 0.23 0.00 1.34 0.00 0.00 72.50 71.67 3kp1 s THR 46 CO 0.23 0.00 2.04 -0.65 -0.54 0.00 0.00 174.62 175.70 3kp1 h PRO 47 N 2.37 0.00 0.02 3.99 0.11 -1.99 -2.08 132.00 134.42 3kp1 h PRO 47 Ca -0.31 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.53 3kp1 h PRO 47 Cb 1.25 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.38 3kp1 h PRO 47 CO 0.44 0.15 -1.08 0.66 -0.21 0.00 0.00 178.00 177.95 3kp1 h SER 48 N 0.00 0.91 -0.42 -2.05 4.64 -1.99 -1.37 113.55 113.27 3kp1 h SER 48 Ca -0.00 -0.75 -0.01 0.00 -0.47 0.00 0.00 61.79 60.57 3kp1 h SER 48 Cb 0.30 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3kp1 h SER 48 CO 0.02 1.55 0.23 0.40 -0.87 0.00 0.00 176.83 178.16 3kp1 h ILE 49 N 0.38 1.15 -0.52 0.95 2.04 -1.90 -0.99 117.51 118.62 3kp1 h ILE 49 Ca -0.14 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 3kp1 h ILE 49 Cb 1.74 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3kp1 h ILE 49 CO 0.21 0.16 0.08 -0.33 0.00 0.00 0.00 178.15 178.28 3kp1 h GLU 50 N 0.54 0.87 -0.96 2.37 4.39 -1.39 -0.56 114.58 119.84 3kp1 h GLU 50 Ca 0.15 -0.23 0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kp1 h GLU 50 Cb 0.05 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.55 3kp1 h GLU 50 CO -0.02 0.85 0.62 0.00 -1.16 0.00 0.00 179.01 179.30 3kp1 h ARG 51 N 0.75 1.16 -0.21 2.33 3.08 -1.17 -1.78 114.38 118.53 3kp1 h ARG 51 Ca 0.16 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3kp1 h ARG 51 Cb 0.41 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3kp1 h ARG 51 CO 0.01 0.77 -0.29 0.66 -1.07 0.00 0.00 179.97 180.05 3kp1 h SER 52 N 1.19 0.42 -0.46 7.04 4.64 -0.68 0.46 113.55 126.17 3kp1 h SER 52 Ca 0.39 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 3kp1 h SER 52 Cb 0.04 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3kp1 h SER 52 CO -0.13 0.70 0.25 0.58 -0.87 0.00 0.00 176.83 177.35 3kp1 h VAL 53 N 0.37 1.17 -0.56 0.95 2.07 -0.71 -1.93 116.25 117.59 3kp1 h VAL 53 Ca 0.05 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3kp1 h VAL 53 Cb 0.69 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3kp1 h VAL 53 CO 0.05 0.17 -0.03 -0.07 0.02 0.00 0.00 177.57 177.72 3kp1 h LEU 54 N 0.60 1.00 -0.47 2.57 3.38 -0.85 -1.67 115.31 119.87 3kp1 h LEU 54 Ca 0.16 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kp1 h LEU 54 Cb 0.06 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 3kp1 h LEU 54 CO -0.03 1.08 0.07 -0.07 0.09 0.00 0.00 178.44 179.58 3kp1 h LEU 55 N 0.89 -0.04 -1.92 1.67 3.38 -0.83 -1.54 115.31 116.92 3kp1 h LEU 55 Ca 0.16 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3kp1 h LEU 55 Cb 0.58 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kp1 h LEU 55 CO 0.03 0.01 -0.12 0.03 0.09 0.00 0.00 178.44 178.49 3kp1 h ARG 56 N 0.20 0.00 -0.00 1.13 3.08 -0.97 -1.91 114.38 115.92 3kp1 h ARG 56 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3kp1 h ARG 56 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3kp1 h ARG 56 CO -0.32 0.12 -0.12 -1.33 -1.07 0.00 0.00 179.97 177.24 3kp1 n MET 57 N -3.78 0.10 0.00 0.04 2.81 -0.65 -4.90 117.12 110.74 3kp1 n MET 57 Ca -0.02 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3kp1 n MET 57 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 3kp1 n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kp1 n GLY 58 N 1.46 1.92 3.70 3.03 0.00 -0.72 -4.90 105.19 109.69 3kp1 n GLY 58 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3kp1 n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kp1 s PHE 59 N -2.00 2.96 0.81 1.61 0.08 -0.78 -5.02 117.98 115.64 3kp1 s PHE 59 Ca 0.00 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 3kp1 s PHE 59 Cb 0.00 -1.46 0.08 0.00 -0.57 0.00 0.00 43.02 41.07 3kp1 s PHE 59 CO 0.00 0.51 1.13 -1.54 -0.10 0.00 0.00 175.22 175.21 3kp1 s SER 60 N -2.79 4.44 0.27 1.36 1.04 -1.26 -4.17 113.70 112.59 3kp1 s SER 60 Ca 0.28 1.06 -0.04 0.00 0.48 0.00 0.00 55.95 57.73 3kp1 s SER 60 Cb -0.10 -1.71 0.36 0.00 0.10 0.00 0.00 66.02 64.66 3kp1 s SER 60 CO 0.20 -1.97 1.95 0.77 0.98 0.00 0.00 173.24 175.16 3kp1 h SER 61 N -1.10 1.05 -0.35 7.02 4.64 -1.98 0.64 113.55 123.47 3kp1 h SER 61 Ca -0.47 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 3kp1 h SER 61 Cb 1.30 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3kp1 h SER 61 CO 0.62 0.76 -0.03 -0.07 -0.87 0.00 0.00 176.83 177.25 3kp1 h LEU 62 N 1.24 0.63 -0.64 5.97 3.38 -2.00 -2.06 115.31 121.84 3kp1 h LEU 62 Ca 0.34 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3kp1 h LEU 62 Cb -0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3kp1 h LEU 62 CO -0.08 0.81 -0.28 -0.33 0.09 0.00 0.00 178.44 178.65 3kp1 h GLU 63 N 0.44 0.77 -0.69 1.13 5.08 -1.83 -2.17 114.58 117.31 3kp1 h GLU 63 Ca 0.10 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 3kp1 h GLU 63 Cb 0.50 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3kp1 h GLU 63 CO 0.02 0.96 0.14 0.00 -1.00 0.00 0.00 179.01 179.12 3kp1 h ALA 64 N 1.03 0.93 0.01 3.43 0.00 -0.81 -1.20 119.26 122.64 3kp1 h ALA 64 Ca 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kp1 h ALA 64 Cb 0.80 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kp1 h ALA 64 CO 0.07 0.67 -0.00 -0.22 0.00 0.00 0.00 179.25 179.76 3kp1 h LYS 65 N 1.06 -0.01 -0.38 0.00 3.64 -1.13 -1.23 116.57 118.51 3kp1 h LYS 65 Ca 0.21 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3kp1 h LYS 65 Cb 0.41 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3kp1 h LYS 65 CO 0.01 0.11 0.14 0.00 -2.27 0.00 0.00 179.45 177.44 3kp1 h ALA 66 N 0.87 0.45 -0.27 5.00 0.00 -1.21 -1.16 119.26 122.94 3kp1 h ALA 66 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kp1 h ALA 66 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kp1 h ALA 66 CO 0.00 -0.25 0.10 0.82 0.00 0.00 0.00 179.25 179.92 3kp1 h ILE 67 N 0.30 1.18 -0.42 0.00 2.04 -1.11 -2.61 117.51 116.89 3kp1 h ILE 67 Ca 0.17 -0.57 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 3kp1 h ILE 67 Cb 0.15 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3kp1 h ILE 67 CO -0.17 0.19 -0.11 0.58 0.00 0.00 0.00 178.15 178.64 3kp1 h VAL 68 N 0.29 1.25 -0.77 1.67 2.07 -1.10 -0.88 116.25 118.79 3kp1 h VAL 68 Ca 0.09 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 3kp1 h VAL 68 Cb 0.20 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3kp1 h VAL 68 CO -0.01 0.39 0.27 0.44 0.02 0.00 0.00 177.57 178.68 3kp1 h ASP 69 N 0.68 1.09 0.64 0.57 3.32 -1.15 -0.46 116.42 121.11 3kp1 h ASP 69 Ca 0.12 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 3kp1 h ASP 69 Cb 0.58 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3kp1 h ASP 69 CO 0.04 0.99 -0.59 0.11 -1.72 0.00 0.00 179.24 178.07 3kp1 h LYS 70 N 1.13 0.00 0.10 3.56 1.57 -1.30 -1.64 116.57 119.99 3kp1 h LYS 70 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kp1 h LYS 70 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3kp1 h LYS 70 CO -0.01 0.59 -0.05 1.15 -0.57 0.00 0.00 179.45 180.56 3kp1 h THR 71 N 0.00 1.03 -0.41 -0.16 2.02 -0.56 -2.77 112.91 112.05 3kp1 h THR 71 Ca -0.01 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.75 3kp1 h THR 71 Cb 1.07 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 3kp1 h THR 71 CO 0.08 0.12 0.15 0.24 0.37 0.00 0.00 175.52 176.47 3kp1 h MET 72 N -0.35 0.31 -0.05 6.66 2.86 -1.07 -2.13 114.93 121.17 3kp1 h MET 72 Ca -0.01 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3kp1 h MET 72 Cb 0.29 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kp1 h MET 72 CO 0.02 0.21 0.10 -0.44 1.06 0.00 0.00 176.91 177.86 3kp1 h ASP 73 N 0.32 0.00 -0.26 1.22 3.32 -1.23 -2.37 116.42 117.43 3kp1 h ASP 73 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3kp1 h ASP 73 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kp1 h ASP 73 CO -0.19 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.87 3kp1 n ARG 74 N -3.40 2.85 -3.26 3.56 1.74 -0.88 -4.99 116.66 112.28 3kp1 n ARG 74 Ca -0.02 -2.08 -0.23 0.00 -0.77 0.00 0.00 57.85 54.75 3kp1 n ARG 74 Cb 0.18 -1.31 0.05 0.00 -1.02 0.00 0.00 32.46 30.36 3kp1 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kp1 n GLY 75 N 0.11 -0.53 0.80 -0.13 0.00 -0.89 -4.91 105.19 99.63 3kp1 n GLY 75 Ca 0.11 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.39 3kp1 n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kp1 n LEU 76 N -4.37 2.77 0.04 0.99 7.99 -0.86 -4.63 117.00 118.92 3kp1 n LEU 76 Ca -0.06 -1.28 0.16 0.00 -0.01 0.00 0.00 56.01 54.82 3kp1 n LEU 76 Cb 0.59 -0.10 0.65 0.00 -0.11 0.00 0.00 43.42 44.45 3kp1 n LEU 76 CO 0.54 0.56 1.16 0.24 -1.51 0.00 0.00 177.39 178.38 3kp1 h MET 77 N 3.44 0.07 0.00 3.23 2.86 -1.92 -0.89 114.93 121.73 3kp1 h MET 77 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kp1 h MET 77 Cb 0.78 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3kp1 h MET 77 CO 0.00 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.43 3kp1 n GLY 78 N -1.60 -1.18 0.09 8.32 0.00 -1.26 -1.93 105.19 107.62 3kp1 n GLY 78 Ca 0.07 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3kp1 n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kp1 n LYS 79 N -2.15 0.59 -0.08 1.61 4.76 -0.34 -5.07 118.16 117.48 3kp1 n LYS 79 Ca 0.02 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 3kp1 n LYS 79 Cb 0.19 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 3kp1 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kp1 n GLY 80 N 1.21 -0.42 0.31 0.72 0.00 -0.81 -4.48 105.19 101.72 3kp1 n GLY 80 Ca -0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 3kp1 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 h ALA 81 N 0.00 1.17 -0.35 4.61 0.00 -1.83 -1.34 119.26 121.52 3kp1 h ALA 81 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3kp1 h ALA 81 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kp1 h ALA 81 CO 0.00 0.56 -0.16 0.78 0.00 0.00 0.00 179.25 180.43 3kp1 h GLY 82 N 0.99 0.70 0.95 0.00 0.00 -1.91 -2.32 103.07 101.49 3kp1 h GLY 82 Ca 0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3kp1 h GLY 82 CO -0.00 0.49 0.17 0.84 0.00 0.00 0.00 176.54 178.05 3kp1 h HIS 83 N 0.58 0.50 -0.32 5.60 6.17 -1.59 -0.25 115.15 125.84 3kp1 h HIS 83 Ca 0.10 -0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.21 3kp1 h HIS 83 Cb 0.61 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 30.33 3kp1 h HIS 83 CO 0.03 0.42 -0.03 0.82 0.71 0.00 0.00 177.93 179.88 3kp1 h ILE 84 N 0.43 0.73 -0.29 6.26 1.08 -1.09 0.18 117.51 124.81 3kp1 h ILE 84 Ca 0.12 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 3kp1 h ILE 84 Cb 0.11 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 3kp1 h ILE 84 CO -0.02 0.01 0.18 0.58 -0.69 0.00 0.00 178.15 178.22 3kp1 h VAL 85 N 0.05 1.09 -0.38 1.67 2.07 -1.18 -1.30 116.25 118.27 3kp1 h VAL 85 Ca 0.15 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kp1 h VAL 85 Cb 0.22 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kp1 h VAL 85 CO -0.28 0.09 0.25 0.22 0.02 0.00 0.00 177.57 177.86 3kp1 h TYR 86 N 0.38 0.49 0.02 1.57 3.20 -0.61 -1.77 116.97 120.25 3kp1 h TYR 86 Ca 0.10 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3kp1 h TYR 86 Cb -0.02 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3kp1 h TYR 86 CO -0.05 0.32 -0.01 0.87 -1.64 0.00 0.00 178.16 177.65 3kp1 h LYS 87 N 0.51 -0.03 -0.52 1.82 1.79 -0.49 -2.02 116.57 117.63 3kp1 h LYS 87 Ca 0.14 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.63 3kp1 h LYS 87 Cb -0.04 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 3kp1 h LYS 87 CO -0.03 -0.01 0.32 0.82 -1.08 0.00 0.00 179.45 179.47 3kp1 h ILE 88 N -0.04 1.08 -0.38 1.86 1.08 -1.16 -0.45 117.51 119.50 3kp1 h ILE 88 Ca -0.00 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.32 3kp1 h ILE 88 Cb 0.03 0.38 -0.06 0.00 -3.07 0.00 0.00 36.82 34.09 3kp1 h ILE 88 CO 0.01 0.12 -0.02 0.00 -0.69 0.00 0.00 178.15 177.56 3kp1 h ALA 89 N 1.22 0.32 -0.31 1.87 0.00 -1.12 0.15 119.26 121.40 3kp1 h ALA 89 Ca 0.20 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3kp1 h ALA 89 Cb -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kp1 h ALA 89 CO -0.08 -0.41 0.14 0.87 0.00 0.00 0.00 179.25 179.77 3kp1 h LYS 90 N 0.08 0.45 -0.69 0.00 1.57 -1.05 -0.58 116.57 116.34 3kp1 h LYS 90 Ca 0.19 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3kp1 h LYS 90 Cb 0.27 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3kp1 h LYS 90 CO -0.33 0.44 0.22 0.93 -0.57 0.00 0.00 179.45 180.14 3kp1 h GLU 91 N 0.36 1.06 -0.17 3.15 4.39 -0.57 -2.76 114.58 120.04 3kp1 h GLU 91 Ca 0.10 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3kp1 h GLU 91 Cb 0.15 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3kp1 h GLU 91 CO -0.01 0.90 0.00 1.63 -1.16 0.00 0.00 179.01 180.37 3kp1 n LYS 92 N -4.26 2.07 -3.88 2.33 4.76 0.47 -4.95 118.16 114.69 3kp1 n LYS 92 Ca 0.06 -1.59 -0.28 0.00 -2.87 0.00 0.00 58.31 53.63 3kp1 n LYS 92 Cb 0.22 -1.46 0.02 0.00 -1.84 0.00 0.00 35.03 31.97 3kp1 n LYS 92 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kp1 n ASN 93 N 0.85 -3.80 -4.60 4.39 2.85 -0.53 -5.01 115.26 109.42 3kp1 n ASN 93 Ca 0.17 -0.81 -0.28 0.00 -0.11 0.00 0.00 54.58 53.56 3kp1 n ASN 93 Cb 0.47 -3.85 -0.10 0.00 1.24 0.00 0.00 39.78 37.54 3kp1 n ASN 93 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3kp1 s ILE 94 N -3.41 1.69 0.79 -1.44 -4.36 -0.34 -5.04 121.20 109.09 3kp1 s ILE 94 Ca 0.50 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.77 3kp1 s ILE 94 Cb -0.25 -2.82 0.06 0.00 1.25 0.00 0.00 42.46 40.71 3kp1 s ILE 94 CO 0.83 0.00 1.11 -0.94 0.24 0.00 0.00 174.94 176.18 3kp1 s SER 95 N -3.69 4.64 0.14 4.36 1.04 -1.26 -4.45 113.70 114.48 3kp1 s SER 95 Ca 0.30 1.16 -0.17 0.00 0.48 0.00 0.00 55.95 57.72 3kp1 s SER 95 Cb 0.08 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.33 3kp1 s SER 95 CO 0.15 -1.86 1.80 0.58 0.98 0.00 0.00 173.24 174.89 3kp1 h VAL 96 N -1.01 1.08 -0.22 5.02 2.07 -1.93 -0.87 116.25 120.39 3kp1 h VAL 96 Ca -0.47 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3kp1 h VAL 96 Cb 1.28 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3kp1 h VAL 96 CO 0.62 0.08 0.14 -0.09 0.02 0.00 0.00 177.57 178.34 3kp1 h ARG 97 N 0.45 0.29 -0.62 1.57 2.43 -1.92 -1.10 114.38 115.48 3kp1 h ARG 97 Ca 0.13 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3kp1 h ARG 97 Cb -0.05 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 3kp1 h ARG 97 CO -0.03 0.19 0.30 0.93 -1.51 0.00 0.00 179.97 179.85 3kp1 h GLU 98 N 0.29 0.53 -0.54 0.20 4.39 -1.88 -0.87 114.58 116.70 3kp1 h GLU 98 Ca 0.08 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3kp1 h GLU 98 Cb -0.03 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3kp1 h GLU 98 CO -0.02 0.35 0.23 0.00 -1.16 0.00 0.00 179.01 178.41 3kp1 h ALA 99 N 1.37 0.70 -0.31 3.43 0.00 -0.71 -1.96 119.26 121.77 3kp1 h ALA 99 Ca 0.29 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3kp1 h ALA 99 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kp1 h ALA 99 CO -0.23 0.30 -0.27 0.78 0.00 0.00 0.00 179.25 179.83 3kp1 h GLY 100 N 0.73 0.80 0.74 0.00 0.00 -0.80 -0.39 103.07 104.15 3kp1 h GLY 100 Ca 0.18 -0.80 0.04 0.00 0.00 0.00 0.00 47.33 46.75 3kp1 h GLY 100 CO -0.02 0.72 0.23 1.41 0.00 0.00 0.00 176.54 178.89 3kp1 h LEU 101 N 0.50 0.33 -0.06 3.11 3.38 -1.12 0.28 115.31 121.73 3kp1 h LEU 101 Ca 0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kp1 h LEU 101 Cb 0.84 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3kp1 h LEU 101 CO 0.07 0.23 0.04 0.00 0.09 0.00 0.00 178.44 178.87 3kp1 h ALA 102 N 1.26 0.08 -0.63 1.53 0.00 -1.14 -1.78 119.26 118.57 3kp1 h ALA 102 Ca 0.21 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3kp1 h ALA 102 Cb 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3kp1 h ALA 102 CO -0.15 -0.42 0.42 -0.07 0.00 0.00 0.00 179.25 179.03 3kp1 h LEU 103 N 0.06 0.67 -1.35 0.00 3.38 -0.72 -0.73 115.31 116.61 3kp1 h LEU 103 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kp1 h LEU 103 Cb 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kp1 h LEU 103 CO -0.00 0.47 0.00 0.77 0.09 0.00 0.00 178.44 179.76 3kp1 h SER 104 N 0.78 0.00 -0.10 -0.43 4.64 0.35 -2.24 113.55 116.56 3kp1 h SER 104 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3kp1 h SER 104 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3kp1 h SER 104 CO -0.06 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.28 3kp1 n GLU 105 N -2.92 1.89 0.00 4.77 1.02 -0.37 -4.74 120.64 120.29 3kp1 n GLU 105 Ca 0.01 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 3kp1 n GLU 105 Cb 0.29 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3kp1 n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kp1 n GLY 106 N 1.15 1.06 3.90 0.62 0.00 -0.84 -5.08 105.19 106.00 3kp1 n GLY 106 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3kp1 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kp1 s LYS 107 N -0.55 3.37 0.00 1.61 1.02 -0.69 -4.58 119.74 119.93 3kp1 s LYS 107 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3kp1 s LYS 107 Cb 0.00 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 3kp1 s LYS 107 CO 0.00 0.60 0.00 0.66 -0.92 0.00 0.00 175.35 175.69 3kp1 n TYR 108 N 0.31 0.00 -0.03 3.18 4.01 -1.26 -3.65 117.16 119.72 3kp1 n TYR 108 Ca -0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.63 3kp1 n TYR 108 Cb 0.51 -0.27 0.13 0.00 -0.31 0.00 0.00 39.34 39.40 3kp1 n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3kp1 h TRP 109 N 0.00 0.70 -0.57 -0.72 4.06 -1.95 -0.64 115.95 116.84 3kp1 h TRP 109 Ca 0.00 -0.17 -0.10 0.00 2.06 0.00 0.00 58.89 60.68 3kp1 h TRP 109 Cb 0.10 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 3kp1 h TRP 109 CO 0.06 0.83 -0.04 -0.44 -3.56 0.00 0.00 178.44 175.29 3kp1 h ASP 110 N 0.53 1.00 -0.32 -3.49 3.32 -1.93 0.16 116.42 115.69 3kp1 h ASP 110 Ca 0.07 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3kp1 h ASP 110 Cb 0.76 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3kp1 h ASP 110 CO 0.06 1.07 0.21 0.44 -1.72 0.00 0.00 179.24 179.30 3kp1 h ASP 111 N 0.92 0.37 -0.07 6.45 3.32 -1.91 -0.76 116.42 124.73 3kp1 h ASP 111 Ca 0.16 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.22 3kp1 h ASP 111 Cb 0.58 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3kp1 h ASP 111 CO 0.04 0.27 -0.10 0.00 -1.72 0.00 0.00 179.24 177.73 3kp1 h ALA 112 N 1.11 -0.04 -0.58 3.45 0.00 -0.66 -2.64 119.26 119.90 3kp1 h ALA 112 Ca 0.12 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3kp1 h ALA 112 Cb -0.04 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3kp1 h ALA 112 CO -0.02 -0.56 0.29 0.82 0.00 0.00 0.00 179.25 179.77 3kp1 h ILE 113 N -0.13 0.93 0.00 0.00 2.04 -0.52 -3.51 117.51 116.32 3kp1 h ILE 113 Ca 0.06 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kp1 h ILE 113 Cb 0.22 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3kp1 h ILE 113 CO -0.15 0.10 0.00 1.67 0.00 0.00 0.00 178.15 179.77