#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 0.89 0.00 -0.67 3.57 -2.05 0.37 116.94 119.06 3kp1 h PHE 7 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kp1 h PHE 7 Cb 0.00 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 3kp1 h PHE 7 CO 0.00 0.18 -0.01 0.37 -2.23 0.00 0.00 178.31 176.62 3kp1 h GLN 8 N 0.66 0.00 0.05 1.11 5.75 -2.06 -1.81 115.11 118.81 3kp1 h GLN 8 Ca 0.53 0.00 -0.38 0.00 -0.15 0.00 0.00 58.65 58.65 3kp1 h GLN 8 Cb 0.81 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.32 3kp1 h GLN 8 CO -0.39 0.01 -2.23 1.04 -2.65 0.00 0.00 178.83 174.61 3kp1 n GLN 9 N -3.49 0.69 -0.18 1.69 6.02 -0.02 -4.11 117.38 117.98 3kp1 n GLN 9 Ca -0.03 0.22 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 3kp1 n GLN 9 Cb 0.10 -1.61 0.42 0.00 1.02 0.00 0.00 30.24 30.17 3kp1 n GLN 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kp1 h ARG 10 N -0.08 0.58 0.00 -1.09 2.47 -0.77 -2.56 114.38 112.94 3kp1 h ARG 10 Ca -0.51 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 3kp1 h ARG 10 Cb 1.91 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.10 3kp1 h ARG 10 CO -0.04 0.39 -0.44 2.89 0.56 0.00 0.00 179.97 183.32 3kp1 n ARG 11 N -4.50 0.14 -0.32 0.04 1.85 -0.72 -4.39 116.66 108.76 3kp1 n ARG 11 Ca 0.13 0.05 -0.00 0.00 -1.00 0.00 0.00 57.85 57.03 3kp1 n ARG 11 Cb 0.38 -1.60 0.04 0.00 -1.05 0.00 0.00 32.46 30.23 3kp1 n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kp1 n ALA 12 N -1.65 -0.08 0.82 2.89 0.00 -0.96 0.62 120.51 122.15 3kp1 n ALA 12 Ca 0.05 0.84 0.08 0.00 0.00 0.00 0.00 53.44 54.40 3kp1 n ALA 12 Cb 0.38 -0.38 0.41 0.00 0.00 0.00 0.00 19.45 19.87 3kp1 n ALA 12 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3kp1 n HIS 13 N -5.24 0.00 0.07 0.00 1.44 -1.26 -2.23 115.22 108.00 3kp1 n HIS 13 Ca 0.09 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.90 3kp1 n HIS 13 Cb 0.34 -0.17 -0.16 0.00 0.12 0.00 0.00 29.99 30.12 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 -1.17 0.08 -0.09 2.39 4.77 0.20 -4.68 117.00 118.50 3kp1 n LEU 14 Ca 0.09 -0.04 0.24 0.00 -0.03 0.00 0.00 56.01 56.28 3kp1 n LEU 14 Cb 0.09 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 41.89 3kp1 n LEU 14 CO 0.10 0.02 1.22 0.00 -1.33 0.00 0.00 177.39 177.41 3kp1 h ALA 15 N 2.02 2.68 -0.02 -1.18 0.00 -1.34 -0.92 119.26 120.49 3kp1 h ALA 15 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kp1 h ALA 15 Cb 0.93 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kp1 h ALA 15 CO 0.00 -0.88 -0.31 0.09 0.00 0.00 0.00 179.25 178.15 3kp1 n ASN 16 N -4.31 1.83 -4.76 0.00 3.02 -1.26 -4.91 115.26 104.87 3kp1 n ASN 16 Ca 0.14 -1.41 -0.41 0.00 -0.03 0.00 0.00 54.58 52.88 3kp1 n ASN 16 Cb 0.79 0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 40.19 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 -2.37 4.50 0.76 3.41 1.43 -0.35 -5.03 118.68 121.02 3kp1 s LEU 17 Ca 0.23 2.35 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 3kp1 s LEU 17 Cb 0.19 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.83 3kp1 s LEU 17 CO 0.50 -0.29 1.08 -0.94 0.23 0.00 0.00 176.35 176.93 3kp1 s SER 18 N -0.52 4.85 0.35 2.29 1.04 -1.26 -4.77 113.70 115.67 3kp1 s SER 18 Ca 0.48 1.41 0.06 0.00 0.48 0.00 0.00 55.95 58.37 3kp1 s SER 18 Cb -0.34 -2.20 0.73 0.00 0.10 0.00 0.00 66.02 64.32 3kp1 s SER 18 CO 0.42 -1.76 1.93 0.44 0.98 0.00 0.00 173.24 175.25 3kp1 h ASP 19 N -0.94 0.70 -0.40 7.02 3.32 -1.98 0.28 116.42 124.42 3kp1 h ASP 19 Ca -0.46 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3kp1 h ASP 19 Cb 1.25 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3kp1 h ASP 19 CO 0.59 0.42 0.12 -0.33 -1.72 0.00 0.00 179.24 178.32 3kp1 h GLU 20 N 0.78 0.62 -0.35 3.56 3.07 -1.99 0.08 114.58 120.34 3kp1 h GLU 20 Ca 0.36 -0.14 -0.14 0.00 -0.50 0.00 0.00 59.36 58.95 3kp1 h GLU 20 Cb 0.39 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 3kp1 h GLU 20 CO -0.14 0.63 -0.34 0.93 -1.40 0.00 0.00 179.01 178.69 3kp1 h GLU 21 N 0.50 0.80 -0.78 2.33 5.08 -1.59 -2.02 114.58 118.89 3kp1 h GLU 21 Ca 0.13 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3kp1 h GLU 21 Cb 0.27 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 3kp1 h GLU 21 CO -0.00 1.01 0.45 1.25 -1.00 0.00 0.00 179.01 180.72 3kp1 h LEU 22 N 0.66 0.95 -0.34 1.33 5.85 -0.23 -0.95 115.31 122.58 3kp1 h LEU 22 Ca 0.07 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3kp1 h LEU 22 Cb 0.89 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3kp1 h LEU 22 CO 0.08 0.75 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.21 3kp1 h GLN 23 N 1.07 0.67 -0.53 1.25 4.15 -0.86 -1.34 115.11 119.52 3kp1 h GLN 23 Ca 0.28 -0.27 0.03 0.00 0.77 0.00 0.00 58.65 59.46 3kp1 h GLN 23 Cb -0.01 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 3kp1 h GLN 23 CO -0.05 0.85 0.30 1.15 -1.93 0.00 0.00 178.83 179.16 3kp1 h THR 24 N 0.45 1.02 -0.82 2.39 2.02 -1.14 -0.54 112.91 116.29 3kp1 h THR 24 Ca 0.08 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 3kp1 h THR 24 Cb 0.63 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 3kp1 h THR 24 CO 0.04 0.11 0.35 -0.09 0.37 0.00 0.00 175.52 176.30 3kp1 h ARG 25 N 0.59 1.21 -0.11 6.66 2.43 -1.10 0.22 114.38 124.28 3kp1 h ARG 25 Ca 0.22 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3kp1 h ARG 25 Cb 0.06 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3kp1 h ARG 25 CO -0.12 0.96 0.02 0.35 -1.51 0.00 0.00 179.97 179.67 3kp1 h PHE 26 N 1.19 0.03 -0.04 2.20 3.57 -0.52 -2.34 116.94 121.03 3kp1 h PHE 26 Ca 0.28 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.59 3kp1 h PHE 26 Cb 0.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3kp1 h PHE 26 CO 0.02 0.01 -0.79 -1.49 -2.23 0.00 0.00 178.31 173.82 3kp1 h TRP 27 N 0.07 0.46 -0.40 0.41 4.06 -0.74 -2.49 115.95 117.31 3kp1 h TRP 27 Ca 0.05 -0.22 -0.07 0.00 2.06 0.00 0.00 58.89 60.71 3kp1 h TRP 27 Cb 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 3kp1 h TRP 27 CO -0.12 0.99 -0.03 1.05 -3.56 0.00 0.00 178.44 176.78 3kp1 h GLU 28 N 0.21 0.65 -0.08 0.49 4.11 -0.56 -2.05 114.58 117.35 3kp1 h GLU 28 Ca -0.04 -0.17 -0.22 0.00 0.07 0.00 0.00 59.36 59.01 3kp1 h GLU 28 Cb 1.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3kp1 h GLU 28 CO 0.13 0.69 -0.82 0.52 0.07 0.00 0.00 179.01 179.59 3kp1 h MET 29 N 0.61 0.58 -0.97 1.06 2.86 -1.36 -2.69 114.93 115.01 3kp1 h MET 29 Ca 0.12 -0.51 0.02 0.00 -2.06 0.00 0.00 59.70 57.27 3kp1 h MET 29 Cb 0.43 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 3kp1 h MET 29 CO 0.02 1.14 0.64 0.00 1.06 0.00 0.00 176.91 179.76 3kp1 h ALA 30 N 0.71 1.26 -0.61 6.32 0.00 -1.28 -2.01 119.26 123.65 3kp1 h ALA 30 Ca -0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3kp1 h ALA 30 Cb 1.44 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3kp1 h ALA 30 CO 0.15 0.57 0.16 1.49 0.00 0.00 0.00 179.25 181.62 3kp1 h GLU 31 N 1.27 0.94 -0.48 0.00 4.81 -1.28 -2.45 114.58 117.40 3kp1 h GLU 31 Ca 0.37 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3kp1 h GLU 31 Cb -0.07 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3kp1 h GLU 31 CO -0.10 0.84 -0.04 0.87 -0.73 0.00 0.00 179.01 179.85 3kp1 h LYS 32 N 0.91 0.81 -0.16 1.92 1.57 -1.11 -2.01 116.57 118.50 3kp1 h LYS 32 Ca 0.20 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 3kp1 h LYS 32 Cb 0.31 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3kp1 h LYS 32 CO -0.00 0.84 -0.58 0.82 -0.57 0.00 0.00 179.45 179.96 3kp1 h ILE 33 N 0.75 1.33 0.00 1.86 2.04 -1.06 -3.10 117.51 119.33 3kp1 h ILE 33 Ca 0.14 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.14 3kp1 h ILE 33 Cb 0.51 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3kp1 h ILE 33 CO 0.03 0.57 -0.85 -0.37 0.00 0.00 0.00 178.15 177.53 3kp1 h VAL 34 N 0.38 0.00 -0.55 1.67 -1.51 -1.43 -3.39 116.25 111.42 3kp1 h VAL 34 Ca 0.00 -0.81 0.09 0.00 -1.23 0.00 0.00 66.70 64.75 3kp1 h VAL 34 Cb 1.12 1.34 -0.07 0.00 -2.13 0.00 0.00 31.29 31.55 3kp1 h VAL 34 CO 0.11 0.00 0.16 0.44 -1.23 0.00 0.00 177.57 177.05 3kp1 h ASP 35 N 0.00 0.12 0.47 4.19 3.32 -1.28 0.97 116.42 124.21 3kp1 h ASP 35 Ca 0.00 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3kp1 h ASP 35 Cb 0.90 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 3kp1 h ASP 35 CO 0.00 0.08 -0.14 1.55 -1.72 0.00 0.00 179.24 179.01 3kp1 h PRO 36 N 0.32 0.00 -0.19 3.56 0.13 -1.76 -2.49 132.00 131.57 3kp1 h PRO 36 Ca 0.28 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.23 3kp1 h PRO 36 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 3kp1 h PRO 36 CO -0.31 0.14 -0.57 -0.07 -0.23 0.00 0.00 178.00 176.96 3kp1 h LEU 37 N 0.00 0.84 -1.41 1.56 3.38 -1.08 -2.32 115.31 116.28 3kp1 h LEU 37 Ca -0.00 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 3kp1 h LEU 37 Cb 0.41 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kp1 h LEU 37 CO 0.02 1.28 0.27 -0.07 0.09 0.00 0.00 178.44 180.03 3kp1 h LEU 38 N 0.44 0.59 -0.17 1.67 3.38 -1.12 -2.47 115.31 117.64 3kp1 h LEU 38 Ca -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kp1 h LEU 38 Cb 1.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3kp1 h LEU 38 CO 0.12 0.48 0.02 -0.78 0.09 0.00 0.00 178.44 178.37 3kp1 h ASP 39 N 0.68 0.28 -1.00 -0.43 3.58 -1.29 -1.98 116.42 116.26 3kp1 h ASP 39 Ca 0.18 -0.28 0.20 0.00 0.42 0.00 0.00 57.03 57.55 3kp1 h ASP 39 Cb 0.01 -0.08 -0.10 0.00 1.72 0.00 0.00 39.33 40.88 3kp1 h ASP 39 CO -0.03 0.49 0.61 -0.07 -2.88 0.00 0.00 179.24 177.37 3kp1 h LEU 40 N 0.06 0.73 -1.08 2.28 3.38 -1.23 -1.22 115.31 118.23 3kp1 h LEU 40 Ca 0.05 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3kp1 h LEU 40 Cb 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3kp1 h LEU 40 CO 0.01 0.24 -0.41 1.23 0.09 0.00 0.00 178.44 179.60 3kp1 h GLY 41 N 0.70 0.11 1.76 0.83 0.00 -0.95 -2.27 103.07 103.23 3kp1 h GLY 41 Ca 0.58 -0.10 -0.20 0.00 0.00 0.00 0.00 47.33 47.61 3kp1 h GLY 41 CO -0.37 0.09 -0.87 0.50 0.00 0.00 0.00 176.54 175.89 3kp1 h LYS 42 N 0.08 0.22 -0.01 4.80 1.57 -0.52 -3.36 116.57 119.35 3kp1 h LYS 42 Ca 0.01 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3kp1 h LYS 42 Cb 0.76 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3kp1 h LYS 42 CO 0.06 0.96 -0.43 1.63 -0.57 0.00 0.00 179.45 181.09 3kp1 n LYS 43 N -3.68 1.38 -4.28 3.15 5.02 -0.91 -4.99 118.16 113.85 3kp1 n LYS 43 Ca -0.04 -0.92 -0.15 0.00 -2.02 0.00 0.00 58.31 55.18 3kp1 n LYS 43 Cb 0.80 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 34.30 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 1.24 0.32 4.39 0.01 -0.87 -5.08 114.94 112.68 3kp1 s ASN 44 Ca 0.16 -1.28 0.05 0.00 -0.71 0.00 0.00 52.86 51.08 3kp1 s ASN 44 Cb 0.16 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.93 3kp1 s ASN 44 CO 0.51 -0.65 0.29 0.28 -1.51 0.00 0.00 177.10 176.02 3kp1 s THR 45 N -3.69 0.00 0.21 1.60 -1.32 -1.26 -4.83 115.64 106.35 3kp1 s THR 45 Ca 0.31 -1.95 -0.09 0.00 -1.21 0.00 0.00 61.69 58.75 3kp1 s THR 45 Cb 0.07 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.53 3kp1 s THR 45 CO 0.09 0.00 0.35 0.42 -2.21 0.00 0.00 174.62 173.27 3kp1 s THR 46 N -3.47 0.02 0.29 5.08 -4.23 -1.26 -5.04 115.64 107.03 3kp1 s THR 46 Ca 0.39 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3kp1 s THR 46 Cb 0.02 -2.16 0.29 0.00 1.34 0.00 0.00 72.50 71.99 3kp1 s THR 46 CO 0.25 -0.08 1.82 -0.65 -0.54 0.00 0.00 174.62 175.42 3kp1 h PRO 47 N 2.41 0.92 -0.25 3.99 0.11 -1.99 -1.96 132.00 135.23 3kp1 h PRO 47 Ca -0.30 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 3kp1 h PRO 47 Cb 1.24 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3kp1 h PRO 47 CO 0.43 0.61 -0.14 0.66 -0.21 0.00 0.00 178.00 179.34 3kp1 h SER 48 N 0.95 0.56 0.13 -2.05 4.64 -1.98 0.43 113.55 116.24 3kp1 h SER 48 Ca 0.51 -0.42 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3kp1 h SER 48 Cb 0.57 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3kp1 h SER 48 CO -0.29 0.86 -0.18 0.40 -0.87 0.00 0.00 176.83 176.75 3kp1 h ILE 49 N 0.26 0.60 -0.90 0.95 2.04 -1.90 0.43 117.51 118.99 3kp1 h ILE 49 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3kp1 h ILE 49 Cb 0.66 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 3kp1 h ILE 49 CO 0.04 0.00 0.59 -0.33 0.00 0.00 0.00 178.15 178.45 3kp1 h GLU 50 N -0.36 1.14 -0.98 2.37 4.39 -1.35 -0.11 114.58 119.67 3kp1 h GLU 50 Ca 0.02 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.67 3kp1 h GLU 50 Cb 0.37 -0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 3kp1 h GLU 50 CO -0.08 0.75 0.65 0.00 -1.16 0.00 0.00 179.01 179.17 3kp1 h ARG 51 N 1.17 1.25 0.00 2.33 3.08 -0.65 -2.24 114.38 119.33 3kp1 h ARG 51 Ca 0.35 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.20 3kp1 h ARG 51 Cb -0.06 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.69 3kp1 h ARG 51 CO -0.10 0.83 -0.59 0.66 -1.07 0.00 0.00 179.97 179.70 3kp1 h SER 52 N 1.29 0.00 -0.17 7.04 4.64 0.04 -1.27 113.55 125.12 3kp1 h SER 52 Ca 0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 3kp1 h SER 52 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3kp1 h SER 52 CO -0.10 0.59 0.07 0.58 -0.87 0.00 0.00 176.83 177.10 3kp1 h VAL 53 N 0.00 1.16 -0.19 0.95 2.07 -0.81 -2.36 116.25 117.06 3kp1 h VAL 53 Ca -0.01 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3kp1 h VAL 53 Cb 1.29 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3kp1 h VAL 53 CO 0.08 0.15 -0.21 -0.07 0.02 0.00 0.00 177.57 177.54 3kp1 h LEU 54 N 0.12 0.33 0.05 2.57 3.38 -1.15 -1.67 115.31 118.95 3kp1 h LEU 54 Ca 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kp1 h LEU 54 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kp1 h LEU 54 CO -0.00 0.55 -0.07 -0.07 0.09 0.00 0.00 178.44 178.94 3kp1 h LEU 55 N 0.30 -0.18 -2.68 1.67 3.38 -1.16 -1.84 115.31 114.80 3kp1 h LEU 55 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kp1 h LEU 55 Cb 0.55 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kp1 h LEU 55 CO 0.04 -0.11 0.00 0.03 0.09 0.00 0.00 178.44 178.49 3kp1 h ARG 56 N -0.15 0.00 -0.01 1.13 3.08 -0.93 -2.24 114.38 115.27 3kp1 h ARG 56 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kp1 h ARG 56 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3kp1 h ARG 56 CO -0.03 0.00 -0.12 -1.33 -1.07 0.00 0.00 179.97 177.42 3kp1 n MET 57 N -3.53 1.04 0.00 0.04 2.81 -0.67 -4.91 117.12 111.91 3kp1 n MET 57 Ca -0.03 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 3kp1 n MET 57 Cb 0.08 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 1.25 1.32 3.91 3.03 0.00 -0.84 -4.90 105.19 108.96 3kp1 n GLY 58 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 3.44 0.89 1.61 0.08 -0.77 -5.02 117.98 116.21 3kp1 s PHE 59 Ca 0.00 0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.06 3kp1 s PHE 59 Cb 0.00 -1.67 0.12 0.00 -0.57 0.00 0.00 43.02 40.90 3kp1 s PHE 59 CO 0.00 0.54 1.13 -1.54 -0.10 0.00 0.00 175.22 175.25 3kp1 s SER 60 N -2.99 3.71 0.26 1.36 1.04 -1.26 -4.29 113.70 111.52 3kp1 s SER 60 Ca 0.34 1.01 -0.03 0.00 0.48 0.00 0.00 55.95 57.76 3kp1 s SER 60 Cb -0.11 -1.61 0.32 0.00 0.10 0.00 0.00 66.02 64.72 3kp1 s SER 60 CO 0.27 -2.43 1.78 0.77 0.98 0.00 0.00 173.24 174.61 3kp1 h SER 61 N -1.41 0.82 -0.50 7.02 4.64 -1.98 0.90 113.55 123.03 3kp1 h SER 61 Ca -0.50 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 60.59 3kp1 h SER 61 Cb 1.32 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3kp1 h SER 61 CO 0.62 0.84 0.10 -0.07 -0.87 0.00 0.00 176.83 177.45 3kp1 h LEU 62 N 0.82 0.77 -0.24 5.97 3.38 -2.00 -1.97 115.31 122.05 3kp1 h LEU 62 Ca 0.17 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 3kp1 h LEU 62 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kp1 h LEU 62 CO 0.01 0.82 -0.50 -0.33 0.09 0.00 0.00 178.44 178.53 3kp1 h GLU 63 N 0.69 0.76 -0.54 1.13 5.08 -1.88 -2.59 114.58 117.23 3kp1 h GLU 63 Ca 0.15 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3kp1 h GLU 63 Cb 0.36 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3kp1 h GLU 63 CO 0.01 1.13 0.32 0.00 -1.00 0.00 0.00 179.01 179.46 3kp1 h ALA 64 N 0.63 0.70 -0.36 3.43 0.00 -0.80 -1.13 119.26 121.73 3kp1 h ALA 64 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kp1 h ALA 64 Cb 1.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3kp1 h ALA 64 CO 0.11 0.03 0.24 -0.22 0.00 0.00 0.00 179.25 179.41 3kp1 h LYS 65 N 0.63 0.47 -0.60 0.00 3.64 -1.31 -0.62 116.57 118.79 3kp1 h LYS 65 Ca 0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3kp1 h LYS 65 Cb 0.04 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3kp1 h LYS 65 CO -0.11 0.32 0.39 0.00 -2.27 0.00 0.00 179.45 177.78 3kp1 h ALA 66 N 1.13 0.77 -0.31 5.00 0.00 -1.11 -1.54 119.26 123.19 3kp1 h ALA 66 Ca 0.13 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3kp1 h ALA 66 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3kp1 h ALA 66 CO -0.03 0.21 -0.43 0.82 0.00 0.00 0.00 179.25 179.82 3kp1 h ILE 67 N 0.82 1.28 -0.14 0.00 2.04 -0.83 -2.53 117.51 118.15 3kp1 h ILE 67 Ca 0.22 -1.61 -0.16 0.00 1.00 0.00 0.00 64.86 64.31 3kp1 h ILE 67 Cb -0.08 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3kp1 h ILE 67 CO -0.05 0.53 -0.57 0.58 0.00 0.00 0.00 178.15 178.64 3kp1 h VAL 68 N 0.64 1.34 -0.52 1.67 2.07 -0.99 -1.18 116.25 119.28 3kp1 h VAL 68 Ca 0.04 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.65 3kp1 h VAL 68 Cb 1.00 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 3kp1 h VAL 68 CO 0.10 0.57 0.12 0.44 0.02 0.00 0.00 177.57 178.81 3kp1 h ASP 69 N 0.35 0.79 -0.44 0.57 3.32 -1.18 -0.37 116.42 119.46 3kp1 h ASP 69 Ca 0.00 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 3kp1 h ASP 69 Cb 1.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3kp1 h ASP 69 CO 0.10 0.83 -0.25 0.11 -1.72 0.00 0.00 179.24 178.31 3kp1 h LYS 70 N 0.73 0.96 -0.75 3.56 1.57 -1.40 -0.77 116.57 120.47 3kp1 h LYS 70 Ca 0.16 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3kp1 h LYS 70 Cb 0.35 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3kp1 h LYS 70 CO 0.00 1.10 0.49 1.15 -0.57 0.00 0.00 179.45 181.62 3kp1 h THR 71 N 0.82 1.17 -0.60 -0.16 2.02 -1.04 -0.11 112.91 115.01 3kp1 h THR 71 Ca 0.10 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 3kp1 h THR 71 Cb 0.83 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3kp1 h THR 71 CO 0.07 0.18 0.13 0.24 0.37 0.00 0.00 175.52 176.51 3kp1 h MET 72 N 0.99 0.97 -0.98 6.66 2.86 -0.93 -1.05 114.93 123.45 3kp1 h MET 72 Ca 0.28 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 3kp1 h MET 72 Cb -0.08 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.38 3kp1 h MET 72 CO -0.07 0.90 0.62 -0.44 1.06 0.00 0.00 176.91 178.98 3kp1 h ASP 73 N 0.88 0.98 0.17 1.22 3.32 -0.37 -1.90 116.42 120.72 3kp1 h ASP 73 Ca 0.19 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kp1 h ASP 73 Cb 0.37 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3kp1 h ASP 73 CO 0.00 0.61 -0.10 0.54 -1.72 0.00 0.00 179.24 178.57 3kp1 n ARG 74 N -4.55 1.07 -2.62 3.56 5.12 -0.13 -4.93 116.66 114.18 3kp1 n ARG 74 Ca 0.15 -0.50 -0.12 0.00 -1.93 0.00 0.00 57.85 55.45 3kp1 n ARG 74 Cb 0.21 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 30.04 3kp1 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kp1 n GLY 75 N 1.23 -0.01 0.76 -0.13 0.00 -0.71 -4.95 105.19 101.38 3kp1 n GLY 75 Ca 0.16 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.29 3.42 -0.02 0.99 4.77 -0.47 -4.66 117.00 118.75 3kp1 n LEU 76 Ca -0.07 -2.57 0.11 0.00 -0.03 0.00 0.00 56.01 53.45 3kp1 n LEU 76 Cb 0.57 -0.40 0.52 0.00 -2.33 0.00 0.00 43.42 41.79 3kp1 n LEU 76 CO 0.25 0.69 1.17 0.24 -1.33 0.00 0.00 177.39 178.42 3kp1 h MET 77 N 1.84 0.34 0.00 3.23 2.86 -1.92 -1.12 114.93 120.16 3kp1 h MET 77 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kp1 h MET 77 Cb 1.12 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3kp1 h MET 77 CO 0.12 0.22 0.00 0.78 1.06 0.00 0.00 176.91 179.09 3kp1 h GLY 78 N 0.35 0.00 0.94 8.32 0.00 -1.95 -0.87 103.07 109.85 3kp1 h GLY 78 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 3kp1 h GLY 78 CO -0.05 0.00 -1.15 0.28 0.00 0.00 0.00 176.54 175.62 3kp1 n LYS 79 N -2.40 0.61 -0.07 4.80 4.76 -0.42 -5.06 118.16 120.37 3kp1 n LYS 79 Ca -0.00 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 3kp1 n LYS 79 Cb 0.13 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 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 1.23 0.13 0.24 0.72 0.00 -0.33 -4.53 105.19 102.65 3kp1 n GLY 80 Ca -0.02 -1.17 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 1.32 -0.34 4.61 0.00 -1.83 -1.94 119.26 121.08 3kp1 h ALA 81 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3kp1 h ALA 81 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kp1 h ALA 81 CO 0.00 0.46 -0.40 0.78 0.00 0.00 0.00 179.25 180.08 3kp1 h GLY 82 N 0.90 0.90 1.01 0.00 0.00 -1.90 -2.86 103.07 101.11 3kp1 h GLY 82 Ca 0.07 -0.93 0.01 0.00 0.00 0.00 0.00 47.33 46.47 3kp1 h GLY 82 CO 0.03 0.84 0.42 0.84 0.00 0.00 0.00 176.54 178.67 3kp1 h HIS 83 N 0.67 0.81 -0.33 5.60 6.17 -1.72 -1.45 115.15 124.91 3kp1 h HIS 83 Ca 0.05 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.19 3kp1 h HIS 83 Cb 0.98 -0.27 -0.04 0.00 2.52 0.00 0.00 27.41 30.59 3kp1 h HIS 83 CO 0.06 0.51 0.11 0.82 0.71 0.00 0.00 177.93 180.14 3kp1 h ILE 84 N 0.87 0.90 -0.64 6.26 1.08 -1.26 0.44 117.51 125.15 3kp1 h ILE 84 Ca 0.24 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.60 3kp1 h ILE 84 Cb -0.10 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 3kp1 h ILE 84 CO -0.05 0.05 0.30 0.58 -0.69 0.00 0.00 178.15 178.34 3kp1 h VAL 85 N 0.25 1.21 0.42 1.67 2.07 -1.25 -1.32 116.25 119.30 3kp1 h VAL 85 Ca 0.15 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3kp1 h VAL 85 Cb 0.13 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3kp1 h VAL 85 CO -0.16 0.25 -0.20 0.22 0.02 0.00 0.00 177.57 177.70 3kp1 h TYR 86 N 0.91 -0.52 -0.53 1.57 3.20 -0.56 -1.29 116.97 119.75 3kp1 h TYR 86 Ca 0.22 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.17 3kp1 h TYR 86 Cb 0.10 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 3kp1 h TYR 86 CO 0.01 -0.21 0.14 0.87 -1.64 0.00 0.00 178.16 177.34 3kp1 h LYS 87 N -0.85 0.28 -0.28 1.82 1.79 -0.80 -1.10 116.57 117.43 3kp1 h LYS 87 Ca -0.06 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 3kp1 h LYS 87 Cb 0.55 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 3kp1 h LYS 87 CO 0.09 0.19 -0.02 0.82 -1.08 0.00 0.00 179.45 179.45 3kp1 h ILE 88 N 0.29 1.18 -0.01 1.86 1.08 -1.24 0.18 117.51 120.85 3kp1 h ILE 88 Ca 0.27 -0.73 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3kp1 h ILE 88 Cb 0.35 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3kp1 h ILE 88 CO -0.32 0.24 -0.00 0.00 -0.69 0.00 0.00 178.15 177.39 3kp1 h ALA 89 N 1.57 0.02 -0.45 1.87 0.00 -0.06 -2.19 119.26 120.01 3kp1 h ALA 89 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kp1 h ALA 89 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kp1 h ALA 89 CO 0.01 -0.30 0.15 0.87 0.00 0.00 0.00 179.25 179.98 3kp1 h LYS 90 N -0.32 0.69 -0.62 0.00 1.57 -1.04 0.47 116.57 117.31 3kp1 h LYS 90 Ca 0.00 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3kp1 h LYS 90 Cb 0.36 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 3kp1 h LYS 90 CO 0.00 0.65 0.35 0.93 -0.57 0.00 0.00 179.45 180.82 3kp1 h GLU 91 N 0.58 0.65 -0.33 3.15 4.39 -0.65 -2.01 114.58 120.36 3kp1 h GLU 91 Ca 0.15 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3kp1 h GLU 91 Cb 0.24 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3kp1 h GLU 91 CO -0.01 0.43 0.00 1.63 -1.16 0.00 0.00 179.01 179.90 3kp1 n LYS 92 N -4.79 2.29 -4.10 2.33 4.76 -0.83 -4.97 118.16 112.85 3kp1 n LYS 92 Ca 0.07 -1.94 -0.47 0.00 -2.87 0.00 0.00 58.31 53.09 3kp1 n LYS 92 Cb 0.14 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.87 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 1.16 -3.96 -4.44 4.39 5.03 -0.01 -5.00 115.26 112.42 3kp1 n ASN 93 Ca 0.18 -1.32 -0.26 0.00 0.87 0.00 0.00 54.58 54.06 3kp1 n ASN 93 Cb 0.53 -1.59 -0.09 0.00 -1.02 0.00 0.00 39.78 37.60 3kp1 n ASN 93 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3kp1 s ILE 94 N -3.55 1.16 0.75 2.41 -4.36 -0.23 -5.03 121.20 112.35 3kp1 s ILE 94 Ca 0.49 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.77 3kp1 s ILE 94 Cb -0.27 -2.60 0.04 0.00 1.25 0.00 0.00 42.46 40.88 3kp1 s ILE 94 CO 0.98 0.00 1.08 -0.94 0.24 0.00 0.00 174.94 176.30 3kp1 s SER 95 N -3.62 4.89 0.14 4.36 1.04 -1.26 -4.50 113.70 114.76 3kp1 s SER 95 Ca 0.27 1.49 -0.18 0.00 0.48 0.00 0.00 55.95 58.02 3kp1 s SER 95 Cb 0.06 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.92 3kp1 s SER 95 CO 0.13 -1.74 1.73 0.58 0.98 0.00 0.00 173.24 174.92 3kp1 h VAL 96 N -0.92 0.84 -0.37 5.02 2.07 -1.94 -0.60 116.25 120.35 3kp1 h VAL 96 Ca -0.45 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 3kp1 h VAL 96 Cb 1.24 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3kp1 h VAL 96 CO 0.57 0.03 -0.04 0.03 0.02 0.00 0.00 177.57 178.19 3kp1 h ARG 97 N 0.15 0.60 -0.23 1.57 3.08 -1.93 0.38 114.38 118.00 3kp1 h ARG 97 Ca 0.14 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3kp1 h ARG 97 Cb 0.16 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3kp1 h ARG 97 CO -0.19 0.65 -0.14 0.93 -1.07 0.00 0.00 179.97 180.14 3kp1 h GLU 98 N 0.56 0.50 -0.55 0.04 4.39 -1.85 0.34 114.58 118.02 3kp1 h GLU 98 Ca 0.11 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.61 3kp1 h GLU 98 Cb 0.41 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3kp1 h GLU 98 CO 0.02 0.79 0.32 0.00 -1.16 0.00 0.00 179.01 178.98 3kp1 h ALA 99 N 0.70 0.72 -0.18 3.43 0.00 -0.78 -1.40 119.26 121.74 3kp1 h ALA 99 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kp1 h ALA 99 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kp1 h ALA 99 CO 0.04 0.03 -0.01 0.78 0.00 0.00 0.00 179.25 180.09 3kp1 h GLY 100 N 0.64 0.36 0.65 0.00 0.00 -0.08 -1.77 103.07 102.88 3kp1 h GLY 100 Ca 0.23 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.34 3kp1 h GLY 100 CO -0.11 0.25 0.24 1.41 0.00 0.00 0.00 176.54 178.33 3kp1 h LEU 101 N 0.08 0.32 0.05 3.11 3.38 -0.23 -1.34 115.31 120.67 3kp1 h LEU 101 Ca 0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kp1 h LEU 101 Cb 0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3kp1 h LEU 101 CO 0.01 0.22 -0.06 0.00 0.09 0.00 0.00 178.44 178.70 3kp1 h ALA 102 N 1.30 -0.11 -0.78 1.53 0.00 -1.16 -2.57 119.26 117.47 3kp1 h ALA 102 Ca 0.24 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.23 3kp1 h ALA 102 Cb 0.19 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3kp1 h ALA 102 CO -0.19 -0.57 0.43 -0.07 0.00 0.00 0.00 179.25 178.84 3kp1 h LEU 103 N -0.14 0.59 -2.00 0.00 3.38 -1.06 -1.15 115.31 114.95 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 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kp1 h LEU 103 CO -0.03 0.34 -0.01 0.77 0.09 0.00 0.00 178.44 179.60 3kp1 h SER 104 N 0.72 0.00 -0.42 -0.43 4.64 -0.87 -1.04 113.55 116.14 3kp1 h SER 104 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3kp1 h SER 104 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3kp1 h SER 104 CO -0.26 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.09 3kp1 n GLU 105 N -3.10 2.48 -0.23 4.77 1.02 -0.53 -4.77 120.64 120.29 3kp1 n GLU 105 Ca -0.01 -2.29 0.00 0.00 -0.02 0.00 0.00 57.16 54.84 3kp1 n GLU 105 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.43 0.87 3.69 0.62 0.00 -0.39 -5.07 105.19 106.34 3kp1 n GLY 106 Ca 0.19 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.47 2.62 0.00 1.61 1.02 -0.66 -4.61 119.74 119.25 3kp1 s LYS 107 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.20 3kp1 s LYS 107 Cb 0.00 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3kp1 s LYS 107 CO 0.00 0.56 0.00 0.66 -0.92 0.00 0.00 175.35 175.65 3kp1 n TYR 108 N 0.68 0.00 0.13 3.18 4.01 -1.26 -3.46 117.16 120.45 3kp1 n TYR 108 Ca -0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.62 3kp1 n TYR 108 Cb 0.52 -0.16 0.19 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.06 -0.40 -0.72 4.06 -1.94 -1.44 115.95 115.57 3kp1 h TRP 109 Ca 0.00 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 3kp1 h TRP 109 Cb 0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 3kp1 h TRP 109 CO 0.03 0.61 -0.08 -0.44 -3.56 0.00 0.00 178.44 174.99 3kp1 h ASP 110 N 0.04 0.66 -0.32 -3.49 5.19 -1.93 -0.87 116.42 115.71 3kp1 h ASP 110 Ca -0.00 -0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.17 3kp1 h ASP 110 Cb 1.02 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.34 3kp1 h ASP 110 CO 0.08 0.79 -0.01 0.44 -3.12 0.00 0.00 179.24 177.41 3kp1 h ASP 111 N 0.63 0.56 -0.44 6.45 3.32 -1.88 -1.01 116.42 124.05 3kp1 h ASP 111 Ca 0.12 -0.32 0.05 0.00 0.02 0.00 0.00 57.03 56.90 3kp1 h ASP 111 Cb 0.52 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 3kp1 h ASP 111 CO 0.03 0.74 0.17 0.00 -1.72 0.00 0.00 179.24 178.47 3kp1 h ALA 112 N 0.84 0.54 0.00 3.45 0.00 -1.06 -1.13 119.26 121.90 3kp1 h ALA 112 Ca 0.09 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kp1 h ALA 112 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kp1 h ALA 112 CO 0.02 -0.21 -0.18 0.82 0.00 0.00 0.00 179.25 179.70 3kp1 h ILE 113 N 0.35 0.81 0.00 0.00 2.04 -1.04 -3.51 117.51 116.16 3kp1 h ILE 113 Ca 0.20 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3kp1 h ILE 113 Cb 0.18 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3kp1 h ILE 113 CO -0.19 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.13