#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipd n SER 27 N 0.00 0.00 -0.00 1.61 3.41 -1.26 -1.95 113.62 115.43 3ipd n SER 27 Ca 0.00 -1.57 0.07 0.00 -0.26 0.00 0.00 58.87 57.11 3ipd n SER 27 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3ipd n SER 27 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ipd n HIS 28 N -0.65 0.00 1.42 7.33 -0.00 -1.26 -4.20 115.22 117.86 3ipd n HIS 28 Ca 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.90 3ipd n HIS 28 Cb 0.03 -0.01 0.44 0.00 -0.00 0.00 0.00 29.99 30.46 3ipd n HIS 28 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3ipd n MET 29 N -1.36 1.57 -0.06 -0.41 1.56 -0.82 -3.49 117.12 114.11 3ipd n MET 29 Ca 0.03 -0.85 -0.20 0.00 -0.27 0.00 0.00 57.70 56.40 3ipd n MET 29 Cb 0.23 -1.39 -0.13 0.00 2.15 0.00 0.00 33.22 34.08 3ipd n MET 29 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3ipd n ARG 30 N 0.07 0.71 -0.19 2.12 5.12 -1.25 -4.00 116.66 119.23 3ipd n ARG 30 Ca 0.16 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 3ipd n ARG 30 Cb 0.28 -1.62 0.10 0.00 -1.16 0.00 0.00 32.46 30.06 3ipd n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ipd h ARG 31 N 0.02 0.25 -0.64 5.56 3.08 -1.75 -1.86 114.38 119.04 3ipd h ARG 31 Ca -0.50 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.57 3ipd h ARG 31 Cb 1.96 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.91 3ipd h ARG 31 CO 0.00 0.17 0.39 -0.07 -1.07 0.00 0.00 179.97 179.38 3ipd h LEU 32 N 0.26 0.62 0.09 3.04 3.38 -1.75 0.58 115.31 121.53 3ipd h LEU 32 Ca 0.30 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.28 3ipd h LEU 32 Cb 0.44 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ipd h LEU 32 CO -0.38 0.43 -0.11 -0.61 0.09 0.00 0.00 178.44 177.86 3ipd h GLN 33 N 0.75 -0.22 0.08 1.13 4.15 -1.48 -2.58 115.11 116.93 3ipd h GLN 33 Ca 0.26 0.02 -0.31 0.00 0.77 0.00 0.00 58.65 59.39 3ipd h GLN 33 Cb 0.05 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3ipd h GLN 33 CO -0.12 -0.15 -1.64 1.96 -1.93 0.00 0.00 178.83 176.95 3ipd h GLN 34 N -0.23 0.16 0.00 1.69 4.20 -1.32 -3.20 115.11 116.42 3ipd h GLN 34 Ca 0.01 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3ipd h GLN 34 Cb 0.23 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3ipd h GLN 34 CO -0.04 0.94 0.00 1.15 -0.67 0.00 0.00 178.83 180.21 3ipd h THR 35 N 0.04 0.00 0.00 -0.54 2.02 0.11 -2.32 112.91 112.22 3ipd h THR 35 Ca -0.28 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3ipd h THR 35 Cb 2.00 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3ipd h THR 35 CO 0.12 0.00 -0.11 -0.61 0.37 0.00 0.00 175.52 175.30 3ipd h GLN 36 N 0.00 0.00 -0.92 6.66 5.75 -1.54 -3.27 115.11 121.79 3ipd h GLN 36 Ca 0.00 0.00 0.25 0.00 -0.15 0.00 0.00 58.65 58.75 3ipd h GLN 36 Cb 0.28 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 3ipd h GLN 36 CO 0.00 0.21 0.65 0.00 -2.65 0.00 0.00 178.83 177.03 3ipd h ALA 37 N -0.81 2.71 0.54 3.38 0.00 -1.52 0.11 119.26 123.66 3ipd h ALA 37 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ipd h ALA 37 Cb 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ipd h ALA 37 CO -0.01 -0.98 -0.34 1.96 0.00 0.00 0.00 179.25 179.89 3ipd h GLN 38 N 0.10 -0.80 -0.78 0.00 4.20 -1.55 0.97 115.11 117.25 3ipd h GLN 38 Ca 0.45 0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.27 3ipd h GLN 38 Cb 1.63 0.18 -0.06 0.00 0.30 0.00 0.00 27.48 29.53 3ipd h GLN 38 CO -0.06 -0.53 0.47 0.28 -0.67 0.00 0.00 178.83 178.32 3ipd h VAL 39 N -0.83 1.04 -0.26 -0.54 2.07 -0.93 -0.02 116.25 116.78 3ipd h VAL 39 Ca -0.06 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3ipd h VAL 39 Cb 0.68 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3ipd h VAL 39 CO 0.06 0.16 -0.21 0.44 0.02 0.00 0.00 177.57 178.04 3ipd h ASP 40 N 0.88 -0.68 -0.44 0.57 3.32 -0.81 0.34 116.42 119.59 3ipd h ASP 40 Ca 0.33 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.59 3ipd h ASP 40 Cb 0.14 0.33 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 3ipd h ASP 40 CO -0.16 -0.25 0.08 -0.08 -1.72 0.00 0.00 179.24 177.12 3ipd h GLU 41 N -0.20 0.21 0.81 3.56 4.81 0.13 0.97 114.58 124.86 3ipd h GLU 41 Ca 0.14 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3ipd h GLU 41 Cb 0.42 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3ipd h GLU 41 CO -0.38 0.14 -0.49 0.28 -0.73 0.00 0.00 179.01 177.83 3ipd h VAL 42 N 0.22 0.01 -0.51 0.32 2.07 0.13 -0.82 116.25 117.66 3ipd h VAL 42 Ca 0.22 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 3ipd h VAL 42 Cb 0.27 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3ipd h VAL 42 CO -0.29 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.13 3ipd h VAL 43 N -1.22 1.17 -0.58 2.57 2.07 -0.88 0.25 116.25 119.63 3ipd h VAL 43 Ca -0.11 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3ipd h VAL 43 Cb 0.97 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3ipd h VAL 43 CO 0.11 0.20 0.34 0.44 0.02 0.00 0.00 177.57 178.68 3ipd h ASP 44 N 0.71 0.54 0.25 0.57 5.19 -0.60 0.34 116.42 123.42 3ipd h ASP 44 Ca 0.18 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 3ipd h ASP 44 Cb 0.07 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.48 3ipd h ASP 44 CO -0.03 0.37 -0.12 0.40 -3.12 0.00 0.00 179.24 176.75 3ipd h ILE 45 N 0.67 0.81 0.00 0.35 2.04 -0.02 -2.92 117.51 118.43 3ipd h ILE 45 Ca 0.24 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3ipd h ILE 45 Cb 0.06 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3ipd h ILE 45 CO -0.12 0.12 0.14 0.24 0.00 0.00 0.00 178.15 178.54 3ipd h MET 46 N -0.65 0.00 -0.01 2.37 2.86 -0.34 0.34 114.93 119.50 3ipd h MET 46 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3ipd h MET 46 Cb 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3ipd h MET 46 CO 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 178.02 3ipd h ARG 47 N 0.00 0.02 0.00 1.72 3.08 -0.73 -2.53 114.38 115.94 3ipd h ARG 47 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3ipd h ARG 47 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3ipd h ARG 47 CO 0.00 0.48 -0.37 0.28 -1.07 0.00 0.00 179.97 179.29 3ipd h VAL 48 N -0.43 0.89 -0.72 2.04 2.07 -0.99 -2.85 116.25 116.25 3ipd h VAL 48 Ca 0.00 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 3ipd h VAL 48 Cb 0.47 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3ipd h VAL 48 CO 0.00 0.36 0.31 0.78 0.02 0.00 0.00 177.57 179.04 3ipd h ASN 49 N 0.00 0.96 -0.56 0.57 2.35 -1.18 -2.70 115.58 115.03 3ipd h ASN 49 Ca -0.00 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 3ipd h ASN 49 Cb 0.87 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 3ipd h ASN 49 CO 0.05 0.85 0.18 0.58 -1.65 0.00 0.00 177.43 177.44 3ipd h VAL 50 N 1.01 1.23 0.00 2.81 2.07 -1.22 -1.41 116.25 120.74 3ipd h VAL 50 Ca 0.24 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3ipd h VAL 50 Cb 0.17 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3ipd h VAL 50 CO -0.03 0.31 0.00 0.44 0.02 0.00 0.00 177.57 178.31 3ipd h ASP 51 N 0.89 0.00 0.17 0.57 3.32 -1.38 -2.27 116.42 117.71 3ipd h ASP 51 Ca 0.20 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.90 3ipd h ASP 51 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ipd h ASP 51 CO -0.01 0.00 -1.75 0.11 -1.72 0.00 0.00 179.24 175.87 3ipd h LYS 52 N 0.00 0.35 0.00 3.56 1.57 -1.02 -3.18 116.57 117.85 3ipd h LYS 52 Ca 0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3ipd h LYS 52 Cb 0.34 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3ipd h LYS 52 CO 0.00 1.29 0.00 0.28 -0.57 0.00 0.00 179.45 180.45 3ipd h VAL 53 N 0.04 0.00 0.12 0.50 2.07 -0.93 -0.59 116.25 117.46 3ipd h VAL 53 Ca -0.35 -0.11 -0.33 0.00 0.82 0.00 0.00 66.70 66.72 3ipd h VAL 53 Cb 2.04 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3ipd h VAL 53 CO 0.14 0.00 -1.74 -0.07 0.02 0.00 0.00 177.57 175.92 3ipd h LEU 54 N 0.00 0.41 -1.44 2.57 4.07 -1.50 -2.79 115.31 116.63 3ipd h LEU 54 Ca 0.00 -0.69 -0.06 0.00 0.08 0.00 0.00 57.88 57.21 3ipd h LEU 54 Cb 0.15 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 3ipd h LEU 54 CO 0.00 1.60 -0.24 -0.33 -1.08 0.00 0.00 178.44 178.39 3ipd h GLU 55 N 0.07 0.07 -0.31 1.13 5.08 -1.37 -2.24 114.58 117.00 3ipd h GLU 55 Ca -0.33 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3ipd h GLU 55 Cb 2.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 3ipd h GLU 55 CO 0.14 0.30 0.19 -0.09 -1.00 0.00 0.00 179.01 178.54 3ipd h ARG 56 N 0.06 0.43 0.19 2.33 2.43 -1.17 -0.52 114.38 118.13 3ipd h ARG 56 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ipd h ARG 56 Cb 0.46 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3ipd h ARG 56 CO 0.03 0.34 -0.46 0.22 -1.51 0.00 0.00 179.97 178.59 3ipd h ASP 57 N 0.40 -1.36 -0.54 -3.80 3.58 -1.13 0.75 116.42 114.33 3ipd h ASP 57 Ca 0.11 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 3ipd h ASP 57 Cb 0.02 0.49 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 3ipd h ASP 57 CO -0.02 -0.52 0.30 1.56 -2.88 0.00 0.00 179.24 177.68 3ipd h GLN 58 N -0.72 0.77 0.00 0.28 4.20 -1.35 0.26 115.11 118.55 3ipd h GLN 58 Ca -0.02 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 3ipd h GLN 58 Cb 0.70 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3ipd h GLN 58 CO -0.20 0.58 -0.64 0.87 -0.67 0.00 0.00 178.83 178.77 3ipd h LYS 59 N 0.78 0.00 0.00 1.46 1.79 -0.96 -3.12 116.57 116.52 3ipd h LYS 59 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3ipd h LYS 59 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3ipd h LYS 59 CO -0.03 0.64 -0.25 1.25 -1.08 0.00 0.00 179.45 179.97 3ipd h LEU 60 N 0.00 0.00 -1.97 2.94 5.85 0.27 -2.81 115.31 119.58 3ipd h LEU 60 Ca -0.01 0.00 0.30 0.00 0.84 0.00 0.00 57.88 59.02 3ipd h LEU 60 Cb 1.24 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3ipd h LEU 60 CO 0.08 0.59 0.78 -1.28 -0.34 0.00 0.00 178.44 178.27 3ipd h SER 61 N -0.93 0.00 0.20 1.25 0.87 -0.71 0.19 113.55 114.41 3ipd h SER 61 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 3ipd h SER 61 Cb 0.25 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3ipd h SER 61 CO 0.00 0.00 -1.30 -0.08 -0.53 0.00 0.00 176.83 174.92 3ipd h GLU 62 N 0.00 0.53 -0.28 2.24 4.81 -1.67 -3.09 114.58 117.12 3ipd h GLU 62 Ca 0.49 -0.84 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3ipd h GLU 62 Cb 2.04 0.30 -0.01 0.00 0.63 0.00 0.00 28.75 31.71 3ipd h GLU 62 CO -0.01 1.39 0.13 1.25 -0.73 0.00 0.00 179.01 181.05 3ipd h LEU 63 N 0.10 0.34 -1.60 1.64 5.85 -0.47 -1.66 115.31 119.52 3ipd h LEU 63 Ca -0.22 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3ipd h LEU 63 Cb 2.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.95 3ipd h LEU 63 CO 0.25 0.30 -0.21 -0.78 -0.34 0.00 0.00 178.44 177.66 3ipd h ASP 64 N 0.39 0.00 1.35 1.25 3.58 -0.87 0.36 116.42 122.48 3ipd h ASP 64 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3ipd h ASP 64 Cb 0.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 3ipd h ASP 64 CO -0.01 0.21 -0.04 0.44 -2.88 0.00 0.00 179.24 176.95 3ipd h ASP 65 N 0.00 0.00 0.26 2.28 5.19 -1.22 -2.74 116.42 120.19 3ipd h ASP 65 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ipd h ASP 65 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 3ipd h ASP 65 CO 0.03 0.04 -1.41 0.54 -3.12 0.00 0.00 179.24 175.32 3ipd n ARG 66 N -3.13 0.43 -0.11 3.56 1.74 -0.52 -2.78 116.66 115.85 3ipd n ARG 66 Ca 0.02 -0.07 -0.06 0.00 -0.77 0.00 0.00 57.85 56.97 3ipd n ARG 66 Cb 0.41 -1.58 0.11 0.00 -1.02 0.00 0.00 32.46 30.39 3ipd n ARG 66 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ipd h ALA 67 N 2.33 0.97 0.18 7.54 0.00 -0.68 -1.48 119.26 128.13 3ipd h ALA 67 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3ipd h ALA 67 Cb 0.84 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ipd h ALA 67 CO 0.00 0.61 -0.09 -0.44 0.00 0.00 0.00 179.25 179.33 3ipd h ASP 68 N 0.73 -0.21 0.00 0.00 3.32 -1.68 -2.71 116.42 115.88 3ipd h ASP 68 Ca 0.12 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3ipd h ASP 68 Cb 0.60 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3ipd h ASP 68 CO 0.04 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 3ipd n ALA 69 N -2.67 1.65 0.00 3.45 0.00 -1.12 0.21 120.51 122.03 3ipd n ALA 69 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ipd n ALA 69 Cb 0.20 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3ipd n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ipd n LEU 70 N -0.62 0.00 0.09 0.00 7.94 -0.56 -3.78 117.00 120.07 3ipd n LEU 70 Ca 0.01 -0.20 0.13 0.00 -1.11 0.00 0.00 56.01 54.83 3ipd n LEU 70 Cb 0.00 0.00 0.32 0.00 0.53 0.00 0.00 43.42 44.27 3ipd n LEU 70 CO 0.01 0.00 0.69 1.67 -1.11 0.00 0.00 177.39 178.64 3ipd n GLN 71 N -0.67 0.27 -0.11 1.96 7.27 0.13 -2.64 117.38 123.59 3ipd n GLN 71 Ca 0.00 0.16 -0.12 0.00 0.07 0.00 0.00 57.00 57.11 3ipd n GLN 71 Cb 0.00 -1.76 -0.15 0.00 2.41 0.00 0.00 30.24 30.75 3ipd n GLN 71 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ipd n ALA 72 N -1.80 1.48 0.22 1.69 0.00 0.24 -2.67 120.51 119.67 3ipd n ALA 72 Ca 0.05 -1.26 0.09 0.00 0.00 0.00 0.00 53.44 52.32 3ipd n ALA 72 Cb 0.43 -0.17 0.46 0.00 0.00 0.00 0.00 19.45 20.17 3ipd n ALA 72 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ipd h GLY 73 N 3.38 0.00 0.36 0.00 0.00 -1.68 -2.39 103.07 102.74 3ipd h GLY 73 Ca -0.55 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.55 3ipd h GLY 73 CO -0.00 0.00 -1.18 0.00 0.00 0.00 0.00 176.54 175.35 3ipd h ALA 74 N 1.76 0.17 0.00 3.60 0.00 -1.66 -3.10 119.26 120.02 3ipd h ALA 74 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3ipd h ALA 74 Cb 0.74 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ipd h ALA 74 CO 0.03 0.69 0.00 0.45 0.00 0.00 0.00 179.25 180.42 3ipd n SER 75 N -4.12 0.00 -0.03 0.00 2.88 -1.09 -0.21 113.62 111.05 3ipd n SER 75 Ca -0.24 -0.01 -0.04 0.00 -1.33 0.00 0.00 58.87 57.25 3ipd n SER 75 Cb 0.80 -0.32 -0.13 0.00 -0.75 0.00 0.00 64.21 63.81 3ipd n SER 75 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3ipd n GLN 76 N -1.32 0.65 0.12 -1.46 7.27 -0.90 -3.47 117.38 118.28 3ipd n GLN 76 Ca 0.12 0.13 0.12 0.00 0.07 0.00 0.00 57.00 57.44 3ipd n GLN 76 Cb 0.22 -1.69 0.24 0.00 2.41 0.00 0.00 30.24 31.42 3ipd n GLN 76 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3ipd h PHE 77 N 0.00 0.00 0.00 3.69 3.57 -1.36 -2.77 116.94 120.07 3ipd h PHE 77 Ca -0.30 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.11 3ipd h PHE 77 Cb 1.85 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 3ipd h PHE 77 CO 0.00 0.00 -0.42 1.49 -2.23 0.00 0.00 178.31 177.15 3ipd h GLU 78 N 0.00 0.00 0.05 1.11 4.22 -0.70 -1.17 114.58 118.08 3ipd h GLU 78 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3ipd h GLU 78 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3ipd h GLU 78 CO 0.00 0.42 -0.02 1.15 -2.18 0.00 0.00 179.01 178.38 3ipd h THR 79 N 0.00 1.25 -0.96 0.32 2.02 -1.57 0.13 112.91 114.09 3ipd h THR 79 Ca -0.00 -1.62 0.15 0.00 0.77 0.00 0.00 66.41 65.71 3ipd h THR 79 Cb 1.08 2.22 -0.08 0.00 -1.74 0.00 0.00 68.15 69.63 3ipd h THR 79 CO 0.06 0.37 0.61 0.28 0.37 0.00 0.00 175.52 177.20 3ipd h SER 80 N -0.86 0.76 0.00 4.18 0.02 -1.54 -1.38 113.55 114.73 3ipd h SER 80 Ca -0.01 0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 60.80 3ipd h SER 80 Cb 0.66 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.12 3ipd h SER 80 CO 0.01 0.36 -0.79 0.00 -1.14 0.00 0.00 176.83 175.28 3ipd h ALA 81 N 1.59 0.09 -0.44 3.77 0.00 -1.26 -1.05 119.26 121.97 3ipd h ALA 81 Ca 0.50 -0.62 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ipd h ALA 81 Cb 0.72 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3ipd h ALA 81 CO -0.27 0.49 0.11 0.00 0.00 0.00 0.00 179.25 179.58 3ipd h ALA 82 N 0.35 0.49 -0.38 0.00 0.00 -0.54 -2.39 119.26 116.80 3ipd h ALA 82 Ca -0.10 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3ipd h ALA 82 Cb 1.48 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3ipd h ALA 82 CO 0.15 -0.29 -0.30 0.87 0.00 0.00 0.00 179.25 179.69 3ipd h LYS 83 N 0.25 0.86 0.00 0.00 1.57 -1.32 -2.82 116.57 115.12 3ipd h LYS 83 Ca 0.21 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3ipd h LYS 83 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3ipd h LYS 83 CO -0.26 1.07 0.01 1.28 -0.57 0.00 0.00 179.45 180.98 3ipd n LEU 84 N -4.16 0.22 -0.07 2.94 4.77 -0.40 -1.54 117.00 118.76 3ipd n LEU 84 Ca -0.02 0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 56.48 3ipd n LEU 84 Cb 0.49 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 3ipd n LEU 84 CO 0.47 -0.67 -0.27 0.50 -1.33 0.00 0.00 177.39 176.09 3ipd h LYS 85 N 0.00 0.00 0.00 3.23 3.64 -1.19 -3.31 116.57 118.94 3ipd h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ipd h LYS 85 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3ipd h LYS 85 CO 0.00 0.23 0.00 0.54 -2.27 0.00 0.00 179.45 177.95 3ipd n ARG 86 N -4.62 0.00 -0.35 1.90 1.74 -0.70 0.08 116.66 114.72 3ipd n ARG 86 Ca -0.10 0.66 0.05 0.00 -0.77 0.00 0.00 57.85 57.69 3ipd n ARG 86 Cb 0.30 -1.31 0.13 0.00 -1.02 0.00 0.00 32.46 30.56 3ipd n ARG 86 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3ipd h LYS 87 N 0.00 -0.00 -0.23 5.56 1.57 -1.52 1.53 116.57 123.48 3ipd h LYS 87 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3ipd h LYS 87 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3ipd h LYS 87 CO 0.00 -0.00 -0.24 -0.92 -0.57 0.00 0.00 179.45 177.72 3ipd h TYR 88 N -0.00 -0.64 -0.44 -1.35 5.03 -1.58 -3.22 116.97 114.77 3ipd h TYR 88 Ca 0.47 0.04 0.09 0.00 2.58 0.00 0.00 58.73 61.90 3ipd h TYR 88 Cb 0.71 0.32 -0.08 0.00 1.55 0.00 0.00 36.73 39.23 3ipd h TYR 88 CO -0.76 -0.32 -0.11 2.35 -1.32 0.00 0.00 178.16 178.01 3ipd h TRP 89 N -0.26 -0.23 -0.61 -3.82 7.01 0.62 -2.66 115.95 116.01 3ipd h TRP 89 Ca 0.13 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 3ipd h TRP 89 Cb 0.46 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.66 3ipd h TRP 89 CO -0.39 -0.19 0.24 -1.49 -2.79 0.00 0.00 178.44 173.83 3ipd h TRP 90 N 0.00 0.90 0.00 2.65 4.06 -1.44 -1.12 115.95 121.00 3ipd h TRP 90 Ca 0.21 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.11 3ipd h TRP 90 Cb 0.32 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 3ipd h TRP 90 CO -0.38 0.69 0.00 1.63 -3.56 0.00 0.00 178.44 176.82 3ipd n LYS 91 N -4.32 0.02 -0.02 0.49 5.02 -1.00 0.01 118.16 118.37 3ipd n LYS 91 Ca 0.05 0.37 -0.13 0.00 -2.02 0.00 0.00 58.31 56.59 3ipd n LYS 91 Cb 0.17 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 3ipd n LYS 91 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ipd n ASN 92 N -1.41 1.26 0.01 4.39 2.85 -0.43 -3.27 115.26 118.66 3ipd n ASN 92 Ca 0.01 0.34 -0.13 0.00 -0.11 0.00 0.00 54.58 54.69 3ipd n ASN 92 Cb 0.03 -0.29 -0.09 0.00 1.24 0.00 0.00 39.78 40.66 3ipd n ASN 92 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3ipd h LEU 93 N 0.02 -0.05 -0.51 1.20 5.85 -0.40 -2.97 115.31 118.46 3ipd h LEU 93 Ca -0.34 -0.38 0.09 0.00 0.84 0.00 0.00 57.88 58.08 3ipd h LEU 93 Cb 2.03 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.97 3ipd h LEU 93 CO 0.08 0.37 -0.39 0.11 -0.34 0.00 0.00 178.44 178.26 3ipd h LYS 94 N -0.47 -0.24 -0.42 1.25 1.57 -0.74 0.16 116.57 117.68 3ipd h LYS 94 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3ipd h LYS 94 Cb 0.43 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3ipd h LYS 94 CO 0.01 -0.16 0.00 -1.33 -0.57 0.00 0.00 179.45 177.40 3ipd n MET 95 N -5.42 0.82 0.00 3.15 2.81 -1.20 1.00 117.12 118.28 3ipd n MET 95 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 3ipd n MET 95 Cb 0.35 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 3ipd n MET 95 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 3ipd n MET 96 N -0.20 1.92 -0.04 0.03 0.00 0.31 -4.11 117.12 115.03 3ipd n MET 96 Ca 0.00 -0.19 -0.21 0.00 -0.00 0.00 0.00 57.70 57.30 3ipd n MET 96 Cb 0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 33.22 32.57 3ipd n MET 96 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 3ipd n ILE 97 N -0.33 1.69 1.40 1.12 5.41 0.26 -3.38 119.36 125.53 3ipd n ILE 97 Ca 0.00 -0.56 0.14 0.00 1.00 0.00 0.00 62.75 63.34 3ipd n ILE 97 Cb 0.04 -1.71 0.74 0.00 -0.71 0.00 0.00 39.64 38.00 3ipd n ILE 97 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3ipd n ILE 98 N -3.58 0.04 0.73 1.39 5.41 0.28 -1.04 119.36 122.59 3ipd n ILE 98 Ca -0.36 0.01 0.09 0.00 1.00 0.00 0.00 62.75 63.50 3ipd n ILE 98 Cb 0.99 -0.53 -0.12 0.00 -0.71 0.00 0.00 39.64 39.27 3ipd n ILE 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3ipd n LEU 99 N -1.27 0.74 -0.03 1.39 7.94 -1.26 -3.56 117.00 120.95 3ipd n LEU 99 Ca 0.14 -0.40 -0.18 0.00 -1.11 0.00 0.00 56.01 54.46 3ipd n LEU 99 Cb 0.23 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.04 3ipd n LEU 99 CO 0.22 0.18 -0.03 1.23 -1.11 0.00 0.00 177.39 177.89 3ipd h GLY 100 N 4.45 0.15 1.04 -3.96 0.00 -1.23 -2.44 103.07 101.08 3ipd h GLY 100 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3ipd h GLY 100 CO 0.00 0.34 0.08 -0.39 0.00 0.00 0.00 176.54 176.57 3ipd h VAL 101 N -0.69 1.26 0.00 4.60 -1.51 -1.30 -1.82 116.25 116.80 3ipd h VAL 101 Ca -0.16 -1.01 -0.07 0.00 -1.23 0.00 0.00 66.70 64.22 3ipd h VAL 101 Cb 1.38 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 3ipd h VAL 101 CO 0.02 0.37 -0.34 0.40 -1.23 0.00 0.00 177.57 176.79 3ipd h ILE 102 N 0.90 0.90 -0.00 7.19 2.04 -1.71 0.75 117.51 127.58 3ipd h ILE 102 Ca 0.18 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3ipd h ILE 102 Cb 0.44 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3ipd h ILE 102 CO 0.01 0.33 -0.12 0.00 0.00 0.00 0.00 178.15 178.37 3ipd n ALA 104 N -1.38 1.59 -0.20 0.00 0.00 -0.64 -3.84 120.51 116.04 3ipd n ALA 104 Ca 0.09 -0.99 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 3ipd n ALA 104 Cb 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 19.74 3ipd n ALA 104 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ipd h ILE 105 N 0.00 1.26 0.00 0.00 2.04 0.39 -0.52 117.51 120.68 3ipd h ILE 105 Ca -0.44 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.28 3ipd h ILE 105 Cb 1.88 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3ipd h ILE 105 CO -0.01 0.40 -0.12 0.40 0.00 0.00 0.00 178.15 178.83 3ipd h ILE 106 N 0.90 0.42 -0.14 -0.67 2.04 -1.75 0.20 117.51 118.51 3ipd h ILE 106 Ca 0.17 -0.63 -0.19 0.00 1.00 0.00 0.00 64.86 65.20 3ipd h ILE 106 Cb 0.53 1.45 0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3ipd h ILE 106 CO 0.03 0.11 -0.66 0.25 0.00 0.00 0.00 178.15 177.89 3ipd h LEU 107 N 0.00 0.83 0.21 1.44 7.12 -1.40 -2.64 115.31 120.87 3ipd h LEU 107 Ca -0.00 -0.63 -0.34 0.00 0.13 0.00 0.00 57.88 57.04 3ipd h LEU 107 Cb 0.44 -0.24 0.02 0.00 -0.53 0.00 0.00 40.66 40.35 3ipd h LEU 107 CO 0.02 1.32 -1.60 0.40 -0.13 0.00 0.00 178.44 178.44 3ipd h ILE 108 N 0.39 1.10 0.00 4.05 2.04 -0.96 -1.42 117.51 122.72 3ipd h ILE 108 Ca -0.04 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.23 3ipd h ILE 108 Cb 1.29 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.27 3ipd h ILE 108 CO 0.14 0.83 0.01 -0.38 0.00 0.00 0.00 178.15 178.75 3ipd n ILE 109 N -3.68 1.70 -0.11 -0.67 5.41 0.69 -1.32 119.36 121.37 3ipd n ILE 109 Ca -0.21 0.44 -0.14 0.00 1.00 0.00 0.00 62.75 63.83 3ipd n ILE 109 Cb 1.07 -1.44 -0.13 0.00 -0.71 0.00 0.00 39.64 38.44 3ipd n ILE 109 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3ipd n ILE 110 N -1.42 1.39 0.29 1.39 5.41 -0.99 -4.04 119.36 121.38 3ipd n ILE 110 Ca 0.00 -0.64 0.08 0.00 1.00 0.00 0.00 62.75 63.19 3ipd n ILE 110 Cb 0.01 -1.06 0.36 0.00 -0.71 0.00 0.00 39.64 38.25 3ipd n ILE 110 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3ipd n ILE 111 N -3.05 1.16 0.85 1.39 5.41 -0.43 -1.53 119.36 123.17 3ipd n ILE 111 Ca -0.40 0.41 0.11 0.00 1.00 0.00 0.00 62.75 63.87 3ipd n ILE 111 Cb 1.03 -1.32 -0.05 0.00 -0.71 0.00 0.00 39.64 38.59 3ipd n ILE 111 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 3ipd n VAL 112 N -1.90 0.02 0.33 1.39 3.14 -0.87 -2.78 118.33 117.67 3ipd n VAL 112 Ca 0.01 -0.08 0.04 0.00 -2.96 0.00 0.00 64.34 61.35 3ipd n VAL 112 Cb 0.12 0.68 0.00 0.00 -1.06 0.00 0.00 33.84 33.59 3ipd n VAL 112 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3ipd n TYR 113 N -1.63 0.00 0.05 1.45 4.01 -0.97 -3.26 117.16 116.81 3ipd n TYR 113 Ca 0.03 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.79 3ipd n TYR 113 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 3ipd n TYR 113 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3ipd h PHE 114 N 0.95 0.00 0.00 -0.72 0.04 -1.42 -3.42 116.94 112.37 3ipd h PHE 114 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3ipd h PHE 114 Cb 0.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 3ipd h PHE 114 CO 0.00 0.49 -0.80 -1.13 -0.60 0.00 0.00 178.31 176.27 3ipd n SER 115 N -2.90 1.87 0.00 2.17 3.41 -1.12 -5.08 113.62 111.97 3ipd n SER 115 Ca -0.07 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3ipd n SER 115 Cb 0.79 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3ipd n SER 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29