#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocp n GLU 2 N 0.00 0.48 -3.61 2.12 -0.58 -1.26 -5.09 120.64 112.71 1ocp n GLU 2 Ca 0.00 0.19 -0.10 0.00 -0.42 0.00 0.00 57.16 56.83 1ocp n GLU 2 Cb 0.00 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 1ocp n GLU 2 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1ocp s THR 3 N -2.79 0.03 0.19 2.62 -1.32 -1.26 -5.18 115.64 107.92 1ocp s THR 3 Ca -0.27 -0.47 -0.07 0.00 -1.21 0.00 0.00 61.69 59.67 1ocp s THR 3 Cb 0.04 -1.29 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 1ocp s THR 3 CO 0.39 -0.13 0.27 -1.48 -2.21 0.00 0.00 174.62 171.46 1ocp s LEU 4 N -2.82 0.95 -0.43 9.08 0.05 -1.26 -5.13 118.68 119.13 1ocp s LEU 4 Ca 0.05 -1.05 0.08 0.00 0.05 0.00 0.00 54.13 53.26 1ocp s LEU 4 Cb -0.00 1.03 0.18 0.00 -2.05 0.00 0.00 46.19 45.34 1ocp s LEU 4 CO -0.08 -0.92 0.63 0.54 -0.55 0.00 0.00 176.35 175.97 1ocp s VAL 5 N -4.03 -0.96 0.33 1.48 0.11 -1.26 -5.15 120.40 110.91 1ocp s VAL 5 Ca 0.24 -0.24 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 1ocp s VAL 5 Cb 0.04 -0.04 -0.06 0.00 -1.53 0.00 0.00 36.38 34.78 1ocp s VAL 5 CO 0.05 -0.04 -0.07 0.00 -3.33 0.00 0.00 175.10 171.72 1ocp s GLN 6 N 1.65 1.74 -0.55 1.54 -2.07 -1.26 -5.06 119.66 115.65 1ocp s GLN 6 Ca 0.18 -1.90 -0.27 0.00 -1.82 0.00 0.00 55.36 51.55 1ocp s GLN 6 Cb -0.04 -1.49 -0.02 0.00 -1.09 0.00 0.00 33.01 30.38 1ocp s GLN 6 CO -0.07 0.08 1.79 0.00 -1.32 0.00 0.00 175.29 175.77 1ocp s ALA 7 N -2.78 2.38 0.43 2.60 0.00 -1.26 -4.42 121.76 118.72 1ocp s ALA 7 Ca 0.32 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1ocp s ALA 7 Cb 0.04 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1ocp s ALA 7 CO 0.15 -3.54 0.00 -2.13 0.00 0.00 0.00 175.76 170.24 1ocp n ARG 8 N 8.98 0.00 -3.69 0.00 0.63 -1.26 -5.02 116.66 116.30 1ocp n ARG 8 Ca 0.20 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.78 1ocp n ARG 8 Cb 0.51 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.34 1ocp n ARG 8 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1ocp s LYS 9 N -2.00 3.09 -0.51 -0.14 2.20 -1.26 -4.92 119.74 116.20 1ocp s LYS 9 Ca 0.00 -3.26 0.07 0.00 -0.36 0.00 0.00 55.97 52.42 1ocp s LYS 9 Cb 0.00 -3.85 0.24 0.00 -1.51 0.00 0.00 37.83 32.71 1ocp s LYS 9 CO 0.00 -1.26 0.58 -2.13 -0.36 0.00 0.00 175.35 172.18 1ocp n ARG 10 N 2.32 1.40 -1.00 4.03 0.00 -1.26 -5.08 116.66 117.08 1ocp n ARG 10 Ca 0.20 -3.83 0.00 0.00 -0.00 0.00 0.00 57.85 54.22 1ocp n ARG 10 Cb 0.37 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.11 1ocp n ARG 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ocp n LYS 11 N 1.38 0.00 -1.45 -0.14 5.02 -1.26 -5.03 118.16 116.68 1ocp n LYS 11 Ca 0.25 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.25 1ocp n LYS 11 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1ocp n LYS 11 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1ocp n ARG 12 N 0.00 2.40 0.10 1.97 1.85 -1.26 -4.45 116.66 117.27 1ocp n ARG 12 Ca 0.00 -2.59 -0.16 0.00 -1.00 0.00 0.00 57.85 54.10 1ocp n ARG 12 Cb 0.00 -2.09 -0.12 0.00 -1.05 0.00 0.00 32.46 29.20 1ocp n ARG 12 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1ocp h THR 13 N 1.67 1.47 0.00 8.89 2.02 -1.98 -3.39 112.91 121.61 1ocp h THR 13 Ca 0.44 -2.93 -0.09 0.00 0.77 0.00 0.00 66.41 64.60 1ocp h THR 13 Cb 0.61 2.85 -0.18 0.00 -1.74 0.00 0.00 68.15 69.68 1ocp h THR 13 CO 1.08 0.86 -0.69 -1.20 0.37 0.00 0.00 175.52 175.94 1ocp n SER 14 N -3.58 0.37 -2.94 4.18 7.64 -1.26 -4.94 113.62 113.09 1ocp n SER 14 Ca -0.08 -1.93 -0.14 0.00 1.01 0.00 0.00 58.87 57.73 1ocp n SER 14 Cb 0.99 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.99 1ocp n SER 14 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ocp n ILE 15 N 0.22 -0.32 -1.31 0.44 2.08 -1.26 -4.43 119.36 114.79 1ocp n ILE 15 Ca 0.01 -2.27 -0.32 0.00 0.56 0.00 0.00 62.75 60.72 1ocp n ILE 15 Cb 0.89 0.15 0.10 0.00 -0.75 0.00 0.00 39.64 40.03 1ocp n ILE 15 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1ocp s GLU 16 N 0.17 2.08 0.53 0.38 2.02 -1.26 -4.58 118.70 118.04 1ocp s GLU 16 Ca 0.33 1.48 0.23 0.00 0.02 0.00 0.00 54.97 57.02 1ocp s GLU 16 Cb 0.15 -1.85 1.45 0.00 0.10 0.00 0.00 34.13 33.97 1ocp s GLU 16 CO -0.17 -1.82 2.13 -0.91 0.02 0.00 0.00 175.26 174.51 1ocp h ASN 17 N -0.77 0.00 1.37 -0.19 2.35 -1.99 -0.68 115.58 115.66 1ocp h ASN 17 Ca -0.45 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.17 1ocp h ASN 17 Cb 1.26 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 1ocp h ASN 17 CO 0.49 0.07 -0.64 0.03 -1.65 0.00 0.00 177.43 175.74 1ocp h ARG 18 N 0.00 0.00 -0.17 0.81 3.08 -1.98 -3.05 114.38 113.07 1ocp h ARG 18 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1ocp h ARG 18 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ocp h ARG 18 CO 0.01 0.59 -0.15 -0.24 -1.07 0.00 0.00 179.97 179.11 1ocp h VAL 19 N 0.00 1.34 -0.03 2.04 3.04 -1.47 0.19 116.25 121.36 1ocp h VAL 19 Ca -0.01 -1.30 -0.00 0.00 -1.01 0.00 0.00 66.70 64.38 1ocp h VAL 19 Cb 1.47 1.81 -0.00 0.00 -2.01 0.00 0.00 31.29 32.56 1ocp h VAL 19 CO 0.08 0.39 0.01 -0.09 -1.01 0.00 0.00 177.57 176.95 1ocp h ARG 20 N 0.05 0.05 0.00 4.17 2.43 -1.55 -1.28 114.38 118.25 1ocp h ARG 20 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ocp h ARG 20 Cb 0.68 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1ocp h ARG 20 CO 0.04 0.18 0.00 0.91 -1.51 0.00 0.00 179.97 179.59 1ocp n TRP 21 N -4.99 0.17 -0.03 2.20 5.03 -1.15 -1.51 117.44 117.15 1ocp n TRP 21 Ca -0.07 0.06 -0.15 0.00 3.03 0.00 0.00 57.50 60.37 1ocp n TRP 21 Cb 0.10 -0.59 -0.04 0.00 -1.03 0.00 0.00 31.31 29.75 1ocp n TRP 21 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 1ocp h SER 22 N 0.00 0.88 -0.70 -0.99 0.87 0.37 -2.41 113.55 111.56 1ocp h SER 22 Ca 0.00 -0.54 0.10 0.00 -1.23 0.00 0.00 61.79 60.12 1ocp h SER 22 Cb 0.38 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.01 1ocp h SER 22 CO 0.00 1.33 0.34 -0.07 -0.53 0.00 0.00 176.83 177.89 1ocp h LEU 23 N 0.54 0.42 0.11 2.23 3.38 -0.19 -1.87 115.31 119.94 1ocp h LEU 23 Ca -0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ocp h LEU 23 Cb 1.30 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1ocp h LEU 23 CO 0.14 0.23 -0.29 -0.08 0.09 0.00 0.00 178.44 178.53 1ocp h GLU 24 N 0.57 -0.49 -0.09 1.13 4.81 -1.24 -0.78 114.58 118.49 1ocp h GLU 24 Ca 0.35 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1ocp h GLU 24 Cb 0.40 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ocp h GLU 24 CO -0.29 -0.33 0.14 1.79 -0.73 0.00 0.00 179.01 179.60 1ocp h THR 25 N -0.51 0.33 0.00 0.32 1.35 -0.89 -0.92 112.91 112.60 1ocp h THR 25 Ca 0.03 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.72 1ocp h THR 25 Cb 0.54 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 67.81 1ocp h THR 25 CO -0.18 0.00 -1.19 0.24 -0.25 0.00 0.00 175.52 174.14 1ocp h MET 26 N 0.00 0.00 0.00 4.72 2.86 -0.58 -3.35 114.93 118.58 1ocp h MET 26 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1ocp h MET 26 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1ocp h MET 26 CO -0.00 0.43 -0.79 1.19 1.06 0.00 0.00 176.91 178.81 1ocp n PHE 27 N -3.03 0.26 0.04 -0.22 3.72 -0.44 -4.08 117.46 113.71 1ocp n PHE 27 Ca -0.07 0.08 0.04 0.00 -0.05 0.00 0.00 57.45 57.45 1ocp n PHE 27 Cb 0.85 -0.42 0.22 0.00 -0.94 0.00 0.00 39.48 39.19 1ocp n PHE 27 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1ocp n LEU 28 N -1.86 3.45 -0.10 4.37 4.77 -0.61 -4.02 117.00 123.00 1ocp n LEU 28 Ca 0.03 -1.75 -0.15 0.00 -0.03 0.00 0.00 56.01 54.12 1ocp n LEU 28 Cb 0.41 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.85 1ocp n LEU 28 CO 0.38 0.47 -1.14 2.29 -1.33 0.00 0.00 177.39 178.06 1ocp n LYS 29 N 0.39 0.48 -3.76 3.23 2.85 -1.26 -4.98 118.16 115.12 1ocp n LYS 29 Ca 0.15 0.12 -0.15 0.00 -1.05 0.00 0.00 58.31 57.38 1ocp n LYS 29 Cb 0.72 -1.37 -0.16 0.00 -0.65 0.00 0.00 35.03 33.58 1ocp n LYS 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ocp n PRO 31 N 4.28 1.90 -2.30 0.00 -0.04 -1.26 -4.34 135.00 133.23 1ocp n PRO 31 Ca -0.26 -1.10 -0.26 0.00 -0.04 0.00 0.00 63.50 61.84 1ocp n PRO 31 Cb 0.50 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1ocp n PRO 31 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ocp n LYS 32 N 0.06 3.48 -2.59 0.54 2.85 -1.26 -5.06 118.16 116.18 1ocp n LYS 32 Ca 0.16 -4.37 -0.40 0.00 -1.05 0.00 0.00 58.31 52.65 1ocp n LYS 32 Cb 0.76 -2.26 -0.05 0.00 -0.65 0.00 0.00 35.03 32.83 1ocp n LYS 32 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ocp s PRO 33 N -3.57 4.67 0.36 -1.58 0.04 -1.26 -5.04 135.00 128.61 1ocp s PRO 33 Ca 0.49 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 1ocp s PRO 33 Cb 0.40 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 1ocp s PRO 33 CO -0.11 0.29 0.63 -1.12 0.04 0.00 0.00 177.00 176.73 1ocp s SER 34 N -1.09 6.38 0.61 6.66 0.01 -1.26 -4.94 113.70 120.07 1ocp s SER 34 Ca 0.45 0.76 0.34 0.00 1.31 0.00 0.00 55.95 58.80 1ocp s SER 34 Cb -0.28 -2.17 1.96 0.00 0.21 0.00 0.00 66.02 65.75 1ocp s SER 34 CO 0.36 -0.33 2.28 -0.07 0.41 0.00 0.00 173.24 175.89 1ocp h LEU 35 N 1.10 0.00 -0.34 2.44 4.07 -1.99 0.23 115.31 120.82 1ocp h LEU 35 Ca -0.48 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.34 1ocp h LEU 35 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1ocp h LEU 35 CO 0.64 0.01 -0.32 1.56 -1.08 0.00 0.00 178.44 179.24 1ocp h GLN 36 N 0.00 0.82 0.00 1.13 4.20 -2.00 -2.25 115.11 117.01 1ocp h GLN 36 Ca -0.00 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.25 1ocp h GLN 36 Cb 0.03 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1ocp h GLN 36 CO 0.00 1.06 -0.15 0.37 -0.67 0.00 0.00 178.83 179.45 1ocp h GLN 37 N 0.60 0.00 -0.17 1.46 4.15 -0.94 -0.72 115.11 119.49 1ocp h GLN 37 Ca 0.06 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 1ocp h GLN 37 Cb 0.91 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1ocp h GLN 37 CO 0.08 0.15 -0.38 0.82 -1.93 0.00 0.00 178.83 177.57 1ocp h ILE 38 N 0.00 1.30 0.17 2.39 1.08 -0.74 0.04 117.51 121.75 1ocp h ILE 38 Ca -0.00 -1.49 -0.01 0.00 -0.39 0.00 0.00 64.86 62.97 1ocp h ILE 38 Cb 0.27 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 1ocp h ILE 38 CO 0.02 0.46 -0.08 0.74 -0.69 0.00 0.00 178.15 178.59 1ocp h THR 39 N 0.32 0.91 0.00 -0.27 2.02 -0.68 -1.45 112.91 113.76 1ocp h THR 39 Ca 0.03 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1ocp h THR 39 Cb 0.82 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1ocp h THR 39 CO 0.07 0.10 -0.01 -0.74 0.37 0.00 0.00 175.52 175.30 1ocp h HIS 40 N -0.44 0.00 -0.32 3.16 -0.00 -1.28 -0.51 115.15 115.76 1ocp h HIS 40 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.26 1ocp h HIS 40 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 1ocp h HIS 40 CO -0.00 0.01 -0.14 0.82 -0.00 0.00 0.00 177.93 178.61 1ocp h ILE 41 N 0.00 1.29 0.47 6.26 5.03 0.02 0.43 117.51 131.01 1ocp h ILE 41 Ca -0.00 -1.24 -0.02 0.00 -0.12 0.00 0.00 64.86 63.48 1ocp h ILE 41 Cb 0.14 1.42 0.00 0.00 -3.03 0.00 0.00 36.82 35.35 1ocp h ILE 41 CO 0.00 0.40 -0.25 0.00 -0.68 0.00 0.00 178.15 177.62 1ocp h ALA 42 N 0.77 -0.66 0.00 1.87 0.00 -0.29 0.97 119.26 121.92 1ocp h ALA 42 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ocp h ALA 42 Cb 0.67 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ocp h ALA 42 CO 0.04 -0.88 -0.00 -0.91 0.00 0.00 0.00 179.25 177.50 1ocp h ASN 43 N -0.66 0.00 0.38 0.00 2.35 -1.48 0.39 115.58 116.56 1ocp h ASN 43 Ca -0.06 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 1ocp h ASN 43 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1ocp h ASN 43 CO 0.08 0.00 -0.71 1.56 -1.65 0.00 0.00 177.43 176.71 1ocp h GLN 44 N 0.00 0.28 0.00 0.81 1.08 0.14 -3.33 115.11 114.09 1ocp h GLN 44 Ca -0.00 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1ocp h GLN 44 Cb 0.08 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1ocp h GLN 44 CO 0.00 0.88 -0.31 1.47 -0.95 0.00 0.00 178.83 179.92 1ocp n LEU 45 N -3.81 1.49 -2.64 1.46 -0.00 -0.53 -5.00 117.00 107.97 1ocp n LEU 45 Ca -0.03 -2.39 -0.08 0.00 -0.00 0.00 0.00 56.01 53.50 1ocp n LEU 45 Cb 0.69 -0.26 -0.01 0.00 -0.00 0.00 0.00 43.42 43.84 1ocp n LEU 45 CO 0.46 0.62 -0.07 0.61 -0.00 0.00 0.00 177.39 179.02 1ocp n GLY 46 N -0.76 -0.49 4.03 1.47 0.00 0.13 -4.66 105.19 104.91 1ocp n GLY 46 Ca 0.10 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1ocp n GLY 46 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ocp s LEU 47 N -5.44 3.10 0.12 0.99 2.34 -1.20 -4.89 118.68 113.70 1ocp s LEU 47 Ca 0.07 -0.86 -0.14 0.00 0.06 0.00 0.00 54.13 53.26 1ocp s LEU 47 Cb -0.04 -1.64 -0.07 0.00 -0.56 0.00 0.00 46.19 43.89 1ocp s LEU 47 CO 0.08 -1.31 0.53 -0.70 -1.06 0.00 0.00 176.35 173.89 1ocp s GLU 48 N -4.64 3.98 0.66 1.48 2.12 -1.26 -4.82 118.70 116.23 1ocp s GLU 48 Ca 0.60 0.48 0.36 0.00 0.36 0.00 0.00 54.97 56.78 1ocp s GLU 48 Cb -0.06 -2.99 1.98 0.00 0.26 0.00 0.00 34.13 33.32 1ocp s GLU 48 CO 0.38 0.52 2.13 -0.22 -0.54 0.00 0.00 175.26 177.53 1ocp h LYS 49 N 3.77 0.00 -0.12 4.30 3.11 -1.97 -1.15 116.57 124.51 1ocp h LYS 49 Ca -0.49 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.16 1ocp h LYS 49 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1ocp h LYS 49 CO 0.65 0.00 -0.72 0.22 -2.81 0.00 0.00 179.45 176.79 1ocp h ASP 50 N 0.00 0.65 1.39 4.20 1.82 -2.00 -2.14 116.42 120.35 1ocp h ASP 50 Ca 0.01 -0.42 -0.11 0.00 -0.39 0.00 0.00 57.03 56.12 1ocp h ASP 50 Cb 0.37 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1ocp h ASP 50 CO -0.00 1.18 -0.62 1.62 -1.61 0.00 0.00 179.24 179.80 1ocp h VAL 51 N 0.38 0.80 0.00 2.25 3.04 -1.61 -2.71 116.25 118.40 1ocp h VAL 51 Ca -0.03 -2.16 -0.16 0.00 -1.01 0.00 0.00 66.70 63.34 1ocp h VAL 51 Cb 1.31 2.36 -0.02 0.00 -2.01 0.00 0.00 31.29 32.93 1ocp h VAL 51 CO 0.13 0.45 -0.75 1.62 -1.01 0.00 0.00 177.57 178.02 1ocp h VAL 52 N 0.00 1.53 0.24 1.51 3.04 -1.43 -2.74 116.25 118.40 1ocp h VAL 52 Ca -0.02 -2.57 -0.34 0.00 -1.01 0.00 0.00 66.70 62.76 1ocp h VAL 52 Cb 1.40 2.39 0.03 0.00 -2.01 0.00 0.00 31.29 33.11 1ocp h VAL 52 CO 0.06 0.73 -1.50 -0.09 -1.01 0.00 0.00 177.57 175.76 1ocp h ARG 53 N 0.00 0.52 -0.48 4.17 1.12 -1.39 -2.52 114.38 115.80 1ocp h ARG 53 Ca -0.01 -0.88 -0.02 0.00 -1.11 0.00 0.00 59.98 57.96 1ocp h ARG 53 Cb 1.33 0.33 -0.02 0.00 -0.01 0.00 0.00 29.97 31.60 1ocp h ARG 53 CO 0.10 1.42 0.24 0.28 -3.11 0.00 0.00 179.97 178.90 1ocp h VAL 54 N 0.12 1.19 -0.38 0.20 2.07 -1.52 0.55 116.25 118.47 1ocp h VAL 54 Ca -0.27 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1ocp h VAL 54 Cb 2.15 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1ocp h VAL 54 CO 0.26 0.20 -0.19 -0.25 0.02 0.00 0.00 177.57 177.62 1ocp h TRP 55 N 0.64 0.81 -0.03 1.57 7.01 -1.59 -2.23 115.95 122.13 1ocp h TRP 55 Ca 0.17 -0.17 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1ocp h TRP 55 Cb 0.10 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 1ocp h TRP 55 CO -0.01 0.86 0.00 0.34 -2.79 0.00 0.00 178.44 176.84 1ocp n PHE 56 N -4.13 0.03 0.09 2.65 7.35 -0.81 -1.96 117.46 120.68 1ocp n PHE 56 Ca 0.00 -0.01 -0.22 0.00 -0.76 0.00 0.00 57.45 56.46 1ocp n PHE 56 Cb 0.40 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.10 1ocp n PHE 56 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ocp h ASN 58 N 0.22 0.39 0.53 0.00 -0.73 -1.57 -2.91 115.58 111.50 1ocp h ASN 58 Ca -0.19 -0.47 -0.04 0.00 1.87 0.00 0.00 56.30 57.46 1ocp h ASN 58 Cb 1.92 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 40.37 1ocp h ASN 58 CO 0.24 1.38 -0.21 0.03 -0.37 0.00 0.00 177.43 178.50 1ocp h ARG 59 N 0.07 0.00 0.02 6.67 2.47 -1.45 -2.25 114.38 119.91 1ocp h ARG 59 Ca -0.19 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1ocp h ARG 59 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.31 1ocp h ARG 59 CO 0.18 0.21 -0.01 0.00 0.56 0.00 0.00 179.97 180.91 1ocp h ARG 60 N 0.00 -0.02 -2.19 0.04 3.08 -1.15 -3.30 114.38 110.84 1ocp h ARG 60 Ca -0.00 0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.29 1ocp h ARG 60 Cb 0.53 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.34 1ocp h ARG 60 CO 0.03 0.69 1.16 0.94 -1.07 0.00 0.00 179.97 181.72 1ocp n GLN 61 N -4.75 4.15 0.10 0.04 -0.06 -1.10 -4.56 117.38 111.20 1ocp n GLN 61 Ca -0.09 -3.91 0.01 0.00 -2.00 0.00 0.00 57.00 51.02 1ocp n GLN 61 Cb 0.35 -2.39 -0.02 0.00 -4.06 0.00 0.00 30.24 24.12 1ocp n GLN 61 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 1ocp h LYS 62 N 3.74 0.00 0.00 3.69 5.09 -1.49 -3.47 116.57 124.12 1ocp h LYS 62 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.30 1ocp h LYS 62 Cb 0.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.59 1ocp h LYS 62 CO 1.27 0.44 0.00 0.41 -2.09 0.00 0.00 179.45 179.48 1ocp n GLY 63 N 1.29 -0.09 2.24 0.07 0.00 -1.26 -5.04 105.19 102.39 1ocp n GLY 63 Ca -0.02 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1ocp n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ocp n LYS 64 N 0.00 2.57 -2.83 1.61 5.02 -1.26 -4.66 118.16 118.60 1ocp n LYS 64 Ca 0.00 -3.25 -0.07 0.00 -2.02 0.00 0.00 58.31 52.97 1ocp n LYS 64 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 1ocp n LYS 64 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1ocp n ARG 65 N -0.99 0.53 -3.98 1.97 1.85 -1.26 -5.14 116.66 109.64 1ocp n ARG 65 Ca 0.60 -2.15 -0.09 0.00 -1.00 0.00 0.00 57.85 55.22 1ocp n ARG 65 Cb 1.00 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.81 1ocp n ARG 65 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1ocp s SER 66 N 0.46 0.25 0.00 2.89 0.15 -1.26 -5.23 113.70 110.95 1ocp s SER 66 Ca 0.31 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.49 1ocp s SER 66 Cb 0.03 0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1ocp s SER 66 CO -0.09 -0.32 0.68 -1.54 1.20 0.00 0.00 173.24 173.16