#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 0.35 -1.01 -0.67 3.57 -2.04 0.25 116.94 117.40 3kp1 h PHE 7 Ca 0.00 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.54 3kp1 h PHE 7 Cb 0.00 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.57 3kp1 h PHE 7 CO 0.00 0.43 0.65 1.96 -2.23 0.00 0.00 178.31 179.12 3kp1 h GLN 8 N 0.17 1.09 0.29 1.11 1.08 -2.05 0.30 115.11 117.10 3kp1 h GLN 8 Ca 0.07 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3kp1 h GLN 8 Cb 0.25 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3kp1 h GLN 8 CO -0.00 0.72 -0.14 0.37 -0.95 0.00 0.00 178.83 178.83 3kp1 h GLN 9 N 1.13 -0.37 0.00 1.46 4.15 -1.98 -3.11 115.11 116.39 3kp1 h GLN 9 Ca 0.45 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.86 3kp1 h GLN 9 Cb 0.26 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3kp1 h GLN 9 CO -0.20 -0.06 -0.18 0.00 -1.93 0.00 0.00 178.83 176.47 3kp1 h ARG 10 N -0.72 0.00 -0.00 1.69 3.08 -0.42 -2.58 114.38 115.42 3kp1 h ARG 10 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kp1 h ARG 10 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3kp1 h ARG 10 CO 0.07 0.18 -0.21 2.89 -1.07 0.00 0.00 179.97 181.83 3kp1 n ARG 11 N -4.08 0.15 -0.31 0.04 1.85 0.10 -4.35 116.66 110.06 3kp1 n ARG 11 Ca -0.02 -0.05 0.12 0.00 -1.00 0.00 0.00 57.85 56.90 3kp1 n ARG 11 Cb 0.26 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.43 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 3.13 1.14 0.00 2.89 0.00 -1.38 -0.54 119.26 124.50 3kp1 h ALA 12 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kp1 h ALA 12 Cb 0.47 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3kp1 h ALA 12 CO 0.00 -0.52 0.00 -2.39 0.00 0.00 0.00 179.25 176.34 3kp1 n HIS 13 N -5.37 0.00 1.03 0.00 1.44 -1.26 -2.59 115.22 108.47 3kp1 n HIS 13 Ca 0.21 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.03 3kp1 n HIS 13 Cb 0.69 -0.43 0.08 0.00 0.12 0.00 0.00 29.99 30.44 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 -1.43 0.96 -0.25 2.39 4.77 -0.21 -4.61 117.00 118.61 3kp1 n LEU 14 Ca 0.07 -0.33 0.05 0.00 -0.03 0.00 0.00 56.01 55.78 3kp1 n LEU 14 Cb 0.25 -0.10 0.29 0.00 -2.33 0.00 0.00 43.42 41.53 3kp1 n LEU 14 CO 0.21 0.22 1.23 0.00 -1.33 0.00 0.00 177.39 177.71 3kp1 h ALA 15 N 3.19 1.61 -0.02 -1.18 0.00 -1.53 -2.15 119.26 119.18 3kp1 h ALA 15 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kp1 h ALA 15 Cb 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kp1 h ALA 15 CO 0.00 0.27 -0.21 0.09 0.00 0.00 0.00 179.25 179.40 3kp1 n ASN 16 N -4.49 1.94 -4.76 0.00 3.02 -1.26 -4.89 115.26 104.82 3kp1 n ASN 16 Ca 0.12 -1.49 -0.41 0.00 -0.03 0.00 0.00 54.58 52.77 3kp1 n ASN 16 Cb 0.22 0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.27 4.42 0.99 3.41 1.43 -0.81 -5.02 118.68 120.84 3kp1 s LEU 17 Ca 0.26 2.65 -0.13 0.00 -1.03 0.00 0.00 54.13 55.88 3kp1 s LEU 17 Cb 0.19 -3.64 0.18 0.00 0.03 0.00 0.00 46.19 42.96 3kp1 s LEU 17 CO 0.44 -0.55 1.12 -0.94 0.23 0.00 0.00 176.35 176.65 3kp1 s SER 18 N -0.28 2.73 0.23 2.29 1.04 -1.26 -4.79 113.70 113.65 3kp1 s SER 18 Ca 0.51 1.00 -0.08 0.00 0.48 0.00 0.00 55.95 57.87 3kp1 s SER 18 Cb -0.40 -1.57 0.20 0.00 0.10 0.00 0.00 66.02 64.35 3kp1 s SER 18 CO 0.50 -3.05 1.87 0.44 0.98 0.00 0.00 173.24 173.98 3kp1 h ASP 19 N -1.84 1.04 -0.65 7.02 3.32 -1.98 -0.59 116.42 122.74 3kp1 h ASP 19 Ca -0.52 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.44 3kp1 h ASP 19 Cb 1.33 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3kp1 h ASP 19 CO 0.56 0.80 0.32 -0.33 -1.72 0.00 0.00 179.24 178.88 3kp1 h GLU 20 N 1.19 0.92 -0.21 3.56 3.07 -2.00 -1.50 114.58 119.63 3kp1 h GLU 20 Ca 0.31 -0.13 -0.15 0.00 -0.50 0.00 0.00 59.36 58.90 3kp1 h GLU 20 Cb -0.05 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 3kp1 h GLU 20 CO -0.06 0.73 -0.48 0.93 -1.40 0.00 0.00 179.01 178.72 3kp1 h GLU 21 N 0.89 0.55 -0.50 2.33 5.08 -1.84 -1.98 114.58 119.12 3kp1 h GLU 21 Ca 0.22 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3kp1 h GLU 21 Cb 0.10 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kp1 h GLU 21 CO -0.03 0.91 0.18 1.25 -1.00 0.00 0.00 179.01 180.33 3kp1 h LEU 22 N 0.44 0.70 -0.39 1.33 5.85 -0.78 -1.61 115.31 120.84 3kp1 h LEU 22 Ca 0.02 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 3kp1 h LEU 22 Cb 1.01 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3kp1 h LEU 22 CO 0.09 0.69 -0.33 1.56 -0.34 0.00 0.00 178.44 180.11 3kp1 h GLN 23 N 0.66 0.91 -0.29 1.25 4.20 -1.16 -1.53 115.11 119.15 3kp1 h GLN 23 Ca 0.16 -0.46 0.04 0.00 0.06 0.00 0.00 58.65 58.45 3kp1 h GLN 23 Cb 0.22 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 3kp1 h GLN 23 CO -0.01 1.11 0.05 1.15 -0.67 0.00 0.00 178.83 180.47 3kp1 h THR 24 N 0.73 0.86 -0.06 -0.54 2.02 -1.29 -1.43 112.91 113.19 3kp1 h THR 24 Ca 0.07 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.23 3kp1 h THR 24 Cb 0.92 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3kp1 h THR 24 CO 0.08 0.03 -0.15 -0.09 0.37 0.00 0.00 175.52 175.76 3kp1 h ARG 25 N 0.16 -0.21 -0.63 6.66 2.43 -1.14 0.20 114.38 121.83 3kp1 h ARG 25 Ca 0.14 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.44 3kp1 h ARG 25 Cb 0.15 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 29.62 3kp1 h ARG 25 CO -0.18 -0.14 -0.22 0.35 -1.51 0.00 0.00 179.97 178.27 3kp1 h PHE 26 N -0.22 -0.53 0.01 2.20 3.57 -0.93 -0.76 116.94 120.27 3kp1 h PHE 26 Ca 0.07 0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.44 3kp1 h PHE 26 Cb 0.32 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3kp1 h PHE 26 CO -0.24 -0.32 -0.88 -1.49 -2.23 0.00 0.00 178.31 173.16 3kp1 h TRP 27 N -0.06 0.24 -0.23 0.41 4.06 -0.71 -1.71 115.95 117.95 3kp1 h TRP 27 Ca 0.29 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 61.10 3kp1 h TRP 27 Cb 0.51 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3kp1 h TRP 27 CO -0.57 0.95 0.12 0.93 -3.56 0.00 0.00 178.44 176.32 3kp1 h GLU 28 N 0.09 0.32 -0.62 0.49 5.08 -0.04 -1.89 114.58 118.01 3kp1 h GLU 28 Ca -0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3kp1 h GLU 28 Cb 1.51 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 3kp1 h GLU 28 CO 0.13 0.30 0.26 0.52 -1.00 0.00 0.00 179.01 179.22 3kp1 h MET 29 N 0.26 0.92 -0.53 2.33 2.86 -1.14 -1.77 114.93 117.87 3kp1 h MET 29 Ca 0.08 -0.16 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 3kp1 h MET 29 Cb 0.07 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 3kp1 h MET 29 CO -0.01 0.77 0.17 0.00 1.06 0.00 0.00 176.91 178.91 3kp1 h ALA 30 N 1.10 0.65 -0.53 6.32 0.00 -1.13 -0.76 119.26 124.91 3kp1 h ALA 30 Ca 0.21 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3kp1 h ALA 30 Cb 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kp1 h ALA 30 CO -0.02 -0.23 0.10 1.49 0.00 0.00 0.00 179.25 180.59 3kp1 h GLU 31 N 0.34 0.86 -0.96 0.00 4.81 -1.18 -1.96 114.58 116.50 3kp1 h GLU 31 Ca 0.26 -0.22 0.15 0.00 -0.13 0.00 0.00 59.36 59.41 3kp1 h GLU 31 Cb 0.30 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.49 3kp1 h GLU 31 CO -0.28 0.84 0.58 0.87 -0.73 0.00 0.00 179.01 180.28 3kp1 h LYS 32 N 0.75 0.81 -0.10 1.92 1.57 -0.86 -1.21 116.57 119.45 3kp1 h LYS 32 Ca 0.16 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 3kp1 h LYS 32 Cb 0.38 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kp1 h LYS 32 CO 0.01 0.53 -0.68 0.82 -0.57 0.00 0.00 179.45 179.56 3kp1 h ILE 33 N 0.83 1.36 0.00 1.86 2.04 -0.44 -3.30 117.51 119.86 3kp1 h ILE 33 Ca 0.51 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3kp1 h ILE 33 Cb 0.65 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3kp1 h ILE 33 CO -0.32 0.62 -1.01 1.33 0.00 0.00 0.00 178.15 178.77 3kp1 n VAL 34 N -3.87 0.57 -0.19 1.67 0.24 -0.80 -4.34 118.33 111.60 3kp1 n VAL 34 Ca -0.04 -0.52 -0.02 0.00 -2.04 0.00 0.00 64.34 61.73 3kp1 n VAL 34 Cb 0.68 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.80 3kp1 n VAL 34 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3kp1 h ASP 35 N 0.00 -0.60 0.44 -1.34 3.32 -1.30 0.23 116.42 117.17 3kp1 h ASP 35 Ca 0.00 0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3kp1 h ASP 35 Cb 0.97 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 3kp1 h ASP 35 CO 0.00 -0.21 -0.27 -0.65 -1.72 0.00 0.00 179.24 176.39 3kp1 h PRO 36 N -0.02 0.00 -0.33 3.56 0.11 -1.77 -1.29 132.00 132.26 3kp1 h PRO 36 Ca 0.27 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.23 3kp1 h PRO 36 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3kp1 h PRO 36 CO -0.60 0.27 -0.41 -0.07 -0.21 0.00 0.00 178.00 176.97 3kp1 h LEU 37 N 0.00 0.87 -0.77 2.35 3.38 -1.23 -1.33 115.31 118.58 3kp1 h LEU 37 Ca -0.00 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 3kp1 h LEU 37 Cb 0.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kp1 h LEU 37 CO 0.03 1.16 -0.35 -0.07 0.09 0.00 0.00 178.44 179.30 3kp1 h LEU 38 N 0.66 0.54 -0.87 1.67 3.38 -0.83 -2.72 115.31 117.14 3kp1 h LEU 38 Ca 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3kp1 h LEU 38 Cb 0.98 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3kp1 h LEU 38 CO 0.09 0.85 0.55 -0.78 0.09 0.00 0.00 178.44 179.25 3kp1 h ASP 39 N 0.44 1.01 -0.66 -0.43 3.58 -0.91 -2.00 116.42 117.46 3kp1 h ASP 39 Ca 0.05 -0.04 0.06 0.00 0.42 0.00 0.00 57.03 57.51 3kp1 h ASP 39 Cb 0.83 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 3kp1 h ASP 39 CO 0.07 0.75 0.37 -0.07 -2.88 0.00 0.00 179.24 177.48 3kp1 h LEU 40 N 1.18 0.54 -1.26 2.28 3.38 -1.00 -2.47 115.31 117.96 3kp1 h LEU 40 Ca 0.31 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 3kp1 h LEU 40 Cb -0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kp1 h LEU 40 CO -0.06 0.35 -0.22 1.23 0.09 0.00 0.00 178.44 179.83 3kp1 h GLY 41 N 0.68 0.00 1.47 0.83 0.00 -1.10 -2.69 103.07 102.26 3kp1 h GLY 41 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.40 3kp1 h GLY 41 CO -0.18 0.00 -0.88 0.50 0.00 0.00 0.00 176.54 175.99 3kp1 h LYS 42 N 0.00 0.49 -0.00 4.80 1.57 -0.94 -3.36 116.57 119.13 3kp1 h LYS 42 Ca -0.00 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3kp1 h LYS 42 Cb 0.68 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3kp1 h LYS 42 CO 0.03 1.11 -0.67 1.63 -0.57 0.00 0.00 179.45 180.98 3kp1 n LYS 43 N -3.81 0.38 -4.27 3.15 5.02 -1.03 -4.98 118.16 112.63 3kp1 n LYS 43 Ca -0.07 -0.28 -0.15 0.00 -2.02 0.00 0.00 58.31 55.79 3kp1 n LYS 43 Cb 0.80 -1.49 -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 -2.82 1.46 0.30 4.39 0.01 -1.03 -5.10 114.94 112.15 3kp1 s ASN 44 Ca 0.13 -1.17 0.05 0.00 -0.71 0.00 0.00 52.86 51.16 3kp1 s ASN 44 Cb 0.17 0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 3kp1 s ASN 44 CO 0.72 -0.53 0.23 0.28 -1.51 0.00 0.00 177.10 176.29 3kp1 s THR 45 N -3.55 0.05 0.21 1.60 -1.32 -1.26 -4.82 115.64 106.55 3kp1 s THR 45 Ca 0.24 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.64 3kp1 s THR 45 Cb 0.06 -2.49 -0.02 0.00 -1.51 0.00 0.00 72.50 68.54 3kp1 s THR 45 CO 0.05 0.00 0.32 0.42 -2.21 0.00 0.00 174.62 173.20 3kp1 s THR 46 N -3.63 0.02 0.26 5.08 -4.23 -1.26 -5.04 115.64 106.84 3kp1 s THR 46 Ca 0.39 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3kp1 s THR 46 Cb 0.04 -2.17 0.24 0.00 1.34 0.00 0.00 72.50 71.95 3kp1 s THR 46 CO 0.23 -0.10 1.79 -0.65 -0.54 0.00 0.00 174.62 175.35 3kp1 h PRO 47 N 2.45 0.74 -0.33 3.99 0.11 -1.99 -1.95 132.00 135.01 3kp1 h PRO 47 Ca -0.30 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.62 3kp1 h PRO 47 Cb 1.24 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kp1 h PRO 47 CO 0.44 0.49 -0.35 0.66 -0.21 0.00 0.00 178.00 179.03 3kp1 h SER 48 N 0.76 0.89 -0.26 -2.05 4.64 -1.98 -0.16 113.55 115.39 3kp1 h SER 48 Ca 0.45 -0.47 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3kp1 h SER 48 Cb 0.53 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3kp1 h SER 48 CO -0.30 1.18 0.15 0.40 -0.87 0.00 0.00 176.83 177.39 3kp1 h ILE 49 N 0.61 1.03 -0.58 0.95 2.04 -1.92 -0.54 117.51 119.10 3kp1 h ILE 49 Ca 0.05 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3kp1 h ILE 49 Cb 0.94 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3kp1 h ILE 49 CO 0.09 0.06 0.19 -0.33 0.00 0.00 0.00 178.15 178.16 3kp1 h GLU 50 N 0.31 0.89 -0.96 2.37 4.39 -1.24 -0.76 114.58 119.58 3kp1 h GLU 50 Ca 0.10 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.66 3kp1 h GLU 50 Cb -0.00 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.46 3kp1 h GLU 50 CO -0.05 0.79 0.63 0.00 -1.16 0.00 0.00 179.01 179.22 3kp1 h ARG 51 N 0.81 1.14 -0.16 2.33 3.08 -0.85 -2.04 114.38 118.70 3kp1 h ARG 51 Ca 0.19 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 3kp1 h ARG 51 Cb 0.26 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kp1 h ARG 51 CO -0.01 0.76 -0.42 0.66 -1.07 0.00 0.00 179.97 179.89 3kp1 h SER 52 N 1.18 0.40 -0.03 7.04 4.64 -0.43 0.19 113.55 126.53 3kp1 h SER 52 Ca 0.39 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3kp1 h SER 52 Cb 0.06 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3kp1 h SER 52 CO -0.13 0.77 0.02 0.58 -0.87 0.00 0.00 176.83 177.20 3kp1 h VAL 53 N 0.31 1.06 -0.67 0.95 2.07 -0.75 -2.15 116.25 117.07 3kp1 h VAL 53 Ca 0.03 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.43 3kp1 h VAL 53 Cb 0.87 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3kp1 h VAL 53 CO 0.07 0.05 0.35 -0.07 0.02 0.00 0.00 177.57 178.00 3kp1 h LEU 54 N -0.02 0.50 -0.71 2.57 3.38 -1.06 -1.42 115.31 118.55 3kp1 h LEU 54 Ca 0.01 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.11 3kp1 h LEU 54 Cb 0.07 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3kp1 h LEU 54 CO -0.00 0.31 0.36 -0.07 0.09 0.00 0.00 178.44 179.13 3kp1 h LEU 55 N 0.64 0.48 -0.95 1.67 3.38 -0.78 -1.57 115.31 118.16 3kp1 h LEU 55 Ca 0.31 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3kp1 h LEU 55 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kp1 h LEU 55 CO -0.21 0.27 0.00 0.03 0.09 0.00 0.00 178.44 178.62 3kp1 h ARG 56 N 0.62 0.00 -0.01 1.13 3.08 -0.62 -2.68 114.38 115.90 3kp1 h ARG 56 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3kp1 h ARG 56 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3kp1 h ARG 56 CO -0.26 0.00 -0.20 -1.33 -1.07 0.00 0.00 179.97 177.10 3kp1 n MET 57 N -2.76 1.07 0.00 0.04 2.81 -0.63 -4.93 117.12 112.72 3kp1 n MET 57 Ca 0.02 -0.65 0.00 0.00 -1.81 0.00 0.00 57.70 55.26 3kp1 n MET 57 Cb 0.32 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.31 1.84 3.55 3.03 0.00 -1.01 -4.89 105.19 109.02 3kp1 n GLY 58 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 2.65 0.93 1.61 0.08 -0.99 -5.00 117.98 115.27 3kp1 s PHE 59 Ca 0.00 -0.20 -0.13 0.00 0.12 0.00 0.00 56.93 56.72 3kp1 s PHE 59 Cb 0.00 -1.37 0.15 0.00 -0.57 0.00 0.00 43.02 41.23 3kp1 s PHE 59 CO 0.00 0.44 1.14 -1.54 -0.10 0.00 0.00 175.22 175.16 3kp1 s SER 60 N -2.35 3.32 0.18 1.36 1.04 -1.26 -4.26 113.70 111.72 3kp1 s SER 60 Ca 0.21 0.91 -0.10 0.00 0.48 0.00 0.00 55.95 57.46 3kp1 s SER 60 Cb -0.10 -1.44 0.07 0.00 0.10 0.00 0.00 66.02 64.64 3kp1 s SER 60 CO 0.13 -2.67 1.65 0.77 0.98 0.00 0.00 173.24 174.11 3kp1 h SER 61 N -1.58 1.01 -0.82 7.02 4.64 -1.98 0.28 113.55 122.12 3kp1 h SER 61 Ca -0.50 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 3kp1 h SER 61 Cb 1.33 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 3kp1 h SER 61 CO 0.59 1.04 0.51 -0.07 -0.87 0.00 0.00 176.83 178.04 3kp1 h LEU 62 N 0.94 0.96 -0.40 5.97 3.38 -2.00 -1.13 115.31 123.04 3kp1 h LEU 62 Ca 0.18 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 3kp1 h LEU 62 Cb 0.50 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kp1 h LEU 62 CO 0.02 0.72 -0.69 -0.33 0.09 0.00 0.00 178.44 178.25 3kp1 h GLU 63 N 1.11 0.49 -0.51 1.13 5.08 -1.87 -2.38 114.58 117.64 3kp1 h GLU 63 Ca 0.30 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3kp1 h GLU 63 Cb -0.08 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3kp1 h GLU 63 CO -0.06 1.01 0.19 0.00 -1.00 0.00 0.00 179.01 179.15 3kp1 h ALA 64 N 0.89 0.66 -0.24 3.43 0.00 -0.68 -1.41 119.26 121.91 3kp1 h ALA 64 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kp1 h ALA 64 Cb 1.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kp1 h ALA 64 CO 0.12 0.28 0.14 -0.22 0.00 0.00 0.00 179.25 179.58 3kp1 h LYS 65 N 0.68 0.33 -0.32 0.00 3.64 -1.16 -0.96 116.57 118.78 3kp1 h LYS 65 Ca 0.17 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3kp1 h LYS 65 Cb 0.22 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3kp1 h LYS 65 CO -0.01 0.28 0.16 0.00 -2.27 0.00 0.00 179.45 177.60 3kp1 h ALA 66 N 1.03 0.39 -0.45 5.00 0.00 -1.20 -0.74 119.26 123.30 3kp1 h ALA 66 Ca 0.08 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kp1 h ALA 66 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kp1 h ALA 66 CO -0.01 -0.22 0.01 0.82 0.00 0.00 0.00 179.25 179.85 3kp1 h ILE 67 N 0.33 1.26 -0.41 0.00 2.04 -1.17 -2.78 117.51 116.78 3kp1 h ILE 67 Ca 0.13 -1.02 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 3kp1 h ILE 67 Cb 0.05 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3kp1 h ILE 67 CO -0.09 0.35 -0.13 0.58 0.00 0.00 0.00 178.15 178.86 3kp1 h VAL 68 N 0.63 1.26 -0.77 1.67 2.07 -0.92 -0.96 116.25 119.22 3kp1 h VAL 68 Ca 0.13 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 3kp1 h VAL 68 Cb 0.48 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3kp1 h VAL 68 CO 0.02 0.40 0.29 0.44 0.02 0.00 0.00 177.57 178.74 3kp1 h ASP 69 N 0.66 1.08 0.19 0.57 3.32 -1.08 -1.41 116.42 119.75 3kp1 h ASP 69 Ca 0.11 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 3kp1 h ASP 69 Cb 0.60 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3kp1 h ASP 69 CO 0.04 0.97 -0.70 0.11 -1.72 0.00 0.00 179.24 177.94 3kp1 h LYS 70 N 1.13 0.46 -0.56 3.56 1.57 -1.29 -2.14 116.57 119.29 3kp1 h LYS 70 Ca 0.26 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3kp1 h LYS 70 Cb 0.24 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3kp1 h LYS 70 CO -0.02 0.98 0.34 1.15 -0.57 0.00 0.00 179.45 181.34 3kp1 h THR 71 N 0.32 1.17 -0.49 -0.16 2.02 -1.02 -2.75 112.91 111.99 3kp1 h THR 71 Ca -0.02 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.67 3kp1 h THR 71 Cb 1.27 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3kp1 h THR 71 CO 0.12 0.17 -0.18 0.24 0.37 0.00 0.00 175.52 176.24 3kp1 h MET 72 N 0.76 0.98 0.00 6.66 2.86 -1.13 -1.91 114.93 123.15 3kp1 h MET 72 Ca 0.20 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3kp1 h MET 72 Cb -0.02 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3kp1 h MET 72 CO -0.04 1.07 -0.01 -0.44 1.06 0.00 0.00 176.91 178.56 3kp1 h ASP 73 N 0.86 0.00 -0.34 1.22 3.32 -1.22 -2.49 116.42 117.77 3kp1 h ASP 73 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kp1 h ASP 73 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3kp1 h ASP 73 CO 0.06 0.01 0.00 0.54 -1.72 0.00 0.00 179.24 178.12 3kp1 n ARG 74 N -3.12 2.88 -2.32 3.56 1.74 -1.04 -4.98 116.66 113.38 3kp1 n ARG 74 Ca -0.02 -2.13 -0.20 0.00 -0.77 0.00 0.00 57.85 54.73 3kp1 n ARG 74 Cb 0.16 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.43 -0.27 1.24 -0.13 0.00 -0.94 -4.90 105.19 100.62 3kp1 n GLY 75 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.87 3.79 -0.30 0.99 4.77 -0.75 -4.57 117.00 118.07 3kp1 n LEU 76 Ca -0.24 -2.00 0.08 0.00 -0.03 0.00 0.00 56.01 53.82 3kp1 n LEU 76 Cb 0.68 -0.45 0.29 0.00 -2.33 0.00 0.00 43.42 41.62 3kp1 n LEU 76 CO 0.28 0.95 1.23 0.24 -1.33 0.00 0.00 177.39 178.76 3kp1 h MET 77 N 3.92 0.86 0.00 3.23 2.86 -1.91 -0.33 114.93 123.56 3kp1 h MET 77 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3kp1 h MET 77 Cb 0.95 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3kp1 h MET 77 CO 0.00 0.57 0.00 0.41 1.06 0.00 0.00 176.91 178.95 3kp1 n GLY 78 N -1.40 -0.62 0.06 8.32 0.00 -1.26 -1.39 105.19 108.89 3kp1 n GLY 78 Ca 0.16 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.36 0.65 -0.05 1.61 4.76 -0.14 -5.09 118.16 118.54 3kp1 n LYS 79 Ca 0.03 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3kp1 n LYS 79 Cb 0.07 -1.63 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 1.33 0.48 0.34 0.72 0.00 -0.49 -4.49 105.19 103.08 3kp1 n GLY 80 Ca -0.08 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 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 1.19 -0.37 4.61 0.00 -1.83 -1.57 119.26 121.29 3kp1 h ALA 81 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3kp1 h ALA 81 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3kp1 h ALA 81 CO 0.00 0.61 -0.11 0.78 0.00 0.00 0.00 179.25 180.53 3kp1 h GLY 82 N 1.12 0.71 1.00 0.00 0.00 -1.91 -2.42 103.07 101.57 3kp1 h GLY 82 Ca 0.26 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kp1 h GLY 82 CO -0.03 0.47 0.35 0.84 0.00 0.00 0.00 176.54 178.18 3kp1 h HIS 83 N 0.60 0.78 0.04 5.60 6.17 -1.59 -1.36 115.15 125.39 3kp1 h HIS 83 Ca 0.11 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.18 3kp1 h HIS 83 Cb 0.54 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 30.21 3kp1 h HIS 83 CO 0.02 0.54 -0.04 0.82 0.71 0.00 0.00 177.93 179.98 3kp1 h ILE 84 N 0.80 0.90 -0.46 6.26 1.08 -0.93 0.20 117.51 125.36 3kp1 h ILE 84 Ca 0.21 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.74 3kp1 h ILE 84 Cb -0.01 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 3kp1 h ILE 84 CO -0.04 0.00 0.15 0.58 -0.69 0.00 0.00 178.15 178.15 3kp1 h VAL 85 N -0.10 0.84 -0.09 1.67 2.07 -1.35 -1.60 116.25 117.68 3kp1 h VAL 85 Ca 0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3kp1 h VAL 85 Cb 0.09 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3kp1 h VAL 85 CO -0.01 0.06 0.00 0.22 0.02 0.00 0.00 177.57 177.85 3kp1 h TYR 86 N 0.32 -0.00 -0.30 1.57 3.20 -0.81 -1.40 116.97 119.54 3kp1 h TYR 86 Ca 0.22 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3kp1 h TYR 86 Cb 0.23 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3kp1 h TYR 86 CO -0.17 -0.01 0.04 0.87 -1.64 0.00 0.00 178.16 177.26 3kp1 h LYS 87 N 0.03 0.51 -1.00 1.82 1.79 -0.77 -2.22 116.57 116.73 3kp1 h LYS 87 Ca 0.04 -0.14 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3kp1 h LYS 87 Cb 0.05 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.58 3kp1 h LYS 87 CO -0.07 0.61 0.66 0.82 -1.08 0.00 0.00 179.45 180.39 3kp1 h ILE 88 N 0.32 1.20 0.07 1.86 1.08 -1.29 0.12 117.51 120.87 3kp1 h ILE 88 Ca 0.09 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 3kp1 h ILE 88 Cb 0.36 -0.21 0.00 0.00 -3.07 0.00 0.00 36.82 33.90 3kp1 h ILE 88 CO 0.01 0.24 -0.03 0.00 -0.69 0.00 0.00 178.15 177.67 3kp1 h ALA 89 N 1.40 -0.09 0.70 1.87 0.00 -1.04 -0.76 119.26 121.34 3kp1 h ALA 89 Ca 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3kp1 h ALA 89 Cb -0.04 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kp1 h ALA 89 CO -0.11 -0.54 -0.34 0.87 0.00 0.00 0.00 179.25 179.13 3kp1 h LYS 90 N -0.11 -0.91 -0.89 0.00 1.57 -1.18 0.16 116.57 115.20 3kp1 h LYS 90 Ca -0.01 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.02 3kp1 h LYS 90 Cb 0.09 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 3kp1 h LYS 90 CO 0.02 -0.60 0.59 0.93 -0.57 0.00 0.00 179.45 179.82 3kp1 h GLU 91 N -0.97 0.45 -0.24 3.15 4.39 -0.75 0.40 114.58 121.00 3kp1 h GLU 91 Ca -0.10 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3kp1 h GLU 91 Cb 0.73 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3kp1 h GLU 91 CO 0.16 0.29 0.00 1.63 -1.16 0.00 0.00 179.01 179.93 3kp1 n LYS 92 N -4.53 2.37 -3.86 2.33 4.76 -0.29 -4.97 118.16 113.97 3kp1 n LYS 92 Ca 0.19 -2.11 -0.29 0.00 -2.87 0.00 0.00 58.31 53.23 3kp1 n LYS 92 Cb 0.65 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.40 3kp1 n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kp1 n ASN 93 N 1.39 -5.03 -4.56 4.39 3.02 0.26 -4.98 115.26 109.76 3kp1 n ASN 93 Ca 0.17 -0.74 -0.27 0.00 -0.03 0.00 0.00 54.58 53.70 3kp1 n ASN 93 Cb 0.59 -4.08 -0.10 0.00 -0.61 0.00 0.00 39.78 35.58 3kp1 n ASN 93 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3kp1 s ILE 94 N -3.31 1.47 0.56 2.41 -4.36 0.29 -5.02 121.20 113.25 3kp1 s ILE 94 Ca 0.64 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.86 3kp1 s ILE 94 Cb -0.32 -2.69 -0.05 0.00 1.25 0.00 0.00 42.46 40.66 3kp1 s ILE 94 CO 0.81 0.00 1.07 -0.94 0.24 0.00 0.00 174.94 176.12 3kp1 s SER 95 N -3.69 5.84 0.24 4.36 1.04 -1.26 -4.42 113.70 115.81 3kp1 s SER 95 Ca 0.27 1.93 -0.06 0.00 0.48 0.00 0.00 55.95 58.57 3kp1 s SER 95 Cb 0.07 -2.55 0.44 0.00 0.10 0.00 0.00 66.02 64.07 3kp1 s SER 95 CO 0.13 -1.13 1.68 0.58 0.98 0.00 0.00 173.24 175.49 3kp1 h VAL 96 N 0.82 0.50 -0.05 5.02 2.07 -1.92 0.14 116.25 122.84 3kp1 h VAL 96 Ca -0.48 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3kp1 h VAL 96 Cb 1.23 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3kp1 h VAL 96 CO 0.57 0.04 -0.03 -0.09 0.02 0.00 0.00 177.57 178.08 3kp1 h ARG 97 N 0.24 -0.03 -0.39 1.57 9.65 -1.91 -1.05 114.38 122.45 3kp1 h ARG 97 Ca 0.40 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.21 3kp1 h ARG 97 Cb 0.68 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 3kp1 h ARG 97 CO -0.52 -0.02 -0.04 0.93 2.80 0.00 0.00 179.97 183.12 3kp1 h GLU 98 N -0.04 0.71 0.08 0.20 4.39 -1.73 -1.84 114.58 116.35 3kp1 h GLU 98 Ca 0.03 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.51 3kp1 h GLU 98 Cb 0.09 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3kp1 h GLU 98 CO -0.08 0.83 -0.24 0.00 -1.16 0.00 0.00 179.01 178.36 3kp1 h ALA 99 N 0.86 -0.37 -0.76 3.43 0.00 -0.56 -0.58 119.26 121.29 3kp1 h ALA 99 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kp1 h ALA 99 Cb 0.53 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3kp1 h ALA 99 CO 0.03 -0.76 0.40 0.78 0.00 0.00 0.00 179.25 179.70 3kp1 h GLY 100 N -0.41 1.14 0.99 0.00 0.00 -1.14 0.13 103.07 103.78 3kp1 h GLY 100 Ca 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3kp1 h GLY 100 CO -0.16 0.51 0.31 -2.00 0.00 0.00 0.00 176.54 175.20 3kp1 h LEU 101 N 1.05 0.69 0.08 3.11 5.85 -1.15 0.57 115.31 125.51 3kp1 h LEU 101 Ca 0.26 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3kp1 h LEU 101 Cb 0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3kp1 h LEU 101 CO -0.04 0.58 -0.10 0.00 -0.34 0.00 0.00 178.44 178.54 3kp1 h ALA 102 N 1.14 -0.17 -0.77 1.25 0.00 -0.73 -2.33 119.26 117.65 3kp1 h ALA 102 Ca 0.20 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3kp1 h ALA 102 Cb 0.04 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3kp1 h ALA 102 CO -0.03 -0.62 0.43 -0.07 0.00 0.00 0.00 179.25 178.96 3kp1 h LEU 103 N -0.21 0.60 -1.77 0.00 3.38 -0.42 -0.19 115.31 116.71 3kp1 h LEU 103 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kp1 h LEU 103 Cb 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kp1 h LEU 103 CO -0.04 0.35 0.00 0.77 0.09 0.00 0.00 178.44 179.61 3kp1 h SER 104 N 0.73 0.00 -0.59 -0.43 4.64 0.49 -0.58 113.55 117.81 3kp1 h SER 104 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3kp1 h SER 104 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3kp1 h SER 104 CO -0.24 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.10 3kp1 n GLU 105 N -2.74 2.90 -0.74 4.77 1.02 -0.17 -4.75 120.64 120.94 3kp1 n GLU 105 Ca -0.01 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.63 3kp1 n GLU 105 Cb 0.16 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 1.17 0.61 3.92 0.62 0.00 -0.22 -5.05 105.19 106.23 3kp1 n GLY 106 Ca 0.21 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.54 3.56 0.00 1.61 1.02 -0.70 -4.41 119.74 120.27 3kp1 s LYS 107 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.76 3kp1 s LYS 107 Cb 0.00 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 3kp1 s LYS 107 CO 0.00 0.35 0.00 0.66 -0.92 0.00 0.00 175.35 175.44 3kp1 n TYR 108 N -0.73 0.00 -0.01 3.18 4.01 -1.26 -3.64 117.16 118.70 3kp1 n TYR 108 Ca -0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.69 3kp1 n TYR 108 Cb 0.54 -0.58 0.26 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.58 -0.25 -0.72 4.06 -1.94 0.05 115.95 117.73 3kp1 h TRP 109 Ca 0.00 -0.07 0.03 0.00 2.06 0.00 0.00 58.89 60.91 3kp1 h TRP 109 Cb 0.02 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 3kp1 h TRP 109 CO 0.01 0.60 0.06 -0.44 -3.56 0.00 0.00 178.44 175.11 3kp1 h ASP 110 N 0.52 0.04 -0.66 -3.49 3.45 -1.91 0.66 116.42 115.03 3kp1 h ASP 110 Ca 0.11 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 3kp1 h ASP 110 Cb 0.41 0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.19 3kp1 h ASP 110 CO 0.02 0.05 0.39 0.44 -1.57 0.00 0.00 179.24 178.57 3kp1 h ASP 111 N 0.16 0.80 -0.24 6.45 3.32 -1.85 -1.85 116.42 123.21 3kp1 h ASP 111 Ca 0.11 -0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.15 3kp1 h ASP 111 Cb 0.11 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 3kp1 h ASP 111 CO -0.14 0.63 -0.13 0.00 -1.72 0.00 0.00 179.24 177.88 3kp1 h ALA 112 N 1.20 0.06 -0.82 3.45 0.00 -0.52 -1.84 119.26 120.79 3kp1 h ALA 112 Ca 0.24 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.31 3kp1 h ALA 112 Cb -0.01 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3kp1 h ALA 112 CO -0.04 -0.54 0.49 0.82 0.00 0.00 0.00 179.25 179.97 3kp1 h ILE 113 N -0.11 0.98 0.00 0.00 2.04 -0.50 -3.51 117.51 116.41 3kp1 h ILE 113 Ca 0.13 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3kp1 h ILE 113 Cb 0.31 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3kp1 h ILE 113 CO -0.31 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.00