#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 0.19 -2.51 0.03 1.02 -1.26 -4.79 120.64 113.32 1ocp n GLU 2 Ca 0.00 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 1ocp n GLU 2 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1ocp n GLU 2 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ocp n THR 3 N -3.19 4.06 0.12 2.62 -2.24 -1.26 -4.38 114.28 110.01 1ocp n THR 3 Ca -0.16 -4.21 0.00 0.00 -2.27 0.00 0.00 64.05 57.41 1ocp n THR 3 Cb 0.63 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 1ocp n THR 3 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ocp n LEU 4 N 6.07 0.07 -2.11 3.22 7.94 -1.26 -4.86 117.00 126.07 1ocp n LEU 4 Ca 0.43 0.40 -0.23 0.00 -1.11 0.00 0.00 56.01 55.50 1ocp n LEU 4 Cb 0.42 0.25 0.15 0.00 0.53 0.00 0.00 43.42 44.76 1ocp n LEU 4 CO 0.75 -0.77 1.23 1.33 -1.11 0.00 0.00 177.39 178.83 1ocp n VAL 5 N -3.41 3.03 -3.12 1.96 0.24 -1.26 -4.89 118.33 110.89 1ocp n VAL 5 Ca 0.00 -1.84 -0.43 0.00 -2.04 0.00 0.00 64.34 60.02 1ocp n VAL 5 Cb 0.00 -0.63 -0.06 0.00 -1.47 0.00 0.00 33.84 31.68 1ocp n VAL 5 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ocp s GLN 6 N -2.99 3.18 0.00 7.34 -0.21 -1.26 -5.05 119.66 120.67 1ocp s GLN 6 Ca 0.52 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1ocp s GLN 6 Cb 0.43 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 30.39 1ocp s GLN 6 CO 0.08 -1.19 0.00 0.00 -2.12 0.00 0.00 175.29 172.06 1ocp n ALA 7 N 6.32 0.00 0.00 6.09 0.00 -1.26 -5.03 120.51 126.62 1ocp n ALA 7 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ocp n ALA 7 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1ocp n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ocp n ARG 8 N -0.75 0.00 -2.91 0.00 1.74 -1.26 -4.98 116.66 108.49 1ocp n ARG 8 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1ocp n ARG 8 Cb 0.00 -0.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.99 1ocp n ARG 8 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ocp n LYS 9 N -2.10 0.84 -0.93 5.56 5.02 -1.26 -4.93 118.16 120.35 1ocp n LYS 9 Ca 0.00 -2.35 -0.03 0.00 -2.02 0.00 0.00 58.31 53.91 1ocp n LYS 9 Cb 0.15 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1ocp n LYS 9 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ocp n ARG 10 N 1.15 0.00 -0.04 1.97 3.00 -1.26 -5.13 116.66 116.35 1ocp n ARG 10 Ca 0.13 -0.93 0.00 0.00 -0.00 0.00 0.00 57.85 57.06 1ocp n ARG 10 Cb 0.62 0.24 0.00 0.00 0.00 0.00 0.00 32.46 33.32 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 0.08 0.43 -2.09 -0.14 4.01 -1.26 -4.91 118.16 114.29 1ocp n LYS 11 Ca -0.14 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.24 1ocp n LYS 11 Cb 0.73 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 35.24 1ocp n LYS 11 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ocp n ARG 12 N -0.65 3.71 0.13 1.97 1.74 -1.26 -4.62 116.66 117.69 1ocp n ARG 12 Ca 0.00 -3.26 -0.23 0.00 -0.77 0.00 0.00 57.85 53.59 1ocp n ARG 12 Cb 0.00 -2.91 -0.15 0.00 -1.02 0.00 0.00 32.46 28.38 1ocp n ARG 12 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1ocp h THR 13 N 3.48 1.32 0.00 0.55 2.02 -2.01 -3.41 112.91 114.86 1ocp h THR 13 Ca 0.52 -2.71 -0.07 0.00 0.77 0.00 0.00 66.41 64.92 1ocp h THR 13 Cb 0.53 2.95 -0.11 0.00 -1.74 0.00 0.00 68.15 69.79 1ocp h THR 13 CO 1.65 0.81 -0.33 -0.24 0.37 0.00 0.00 175.52 177.78 1ocp n SER 14 N -3.70 -0.22 -2.91 4.18 2.88 -1.26 -4.98 113.62 107.61 1ocp n SER 14 Ca -0.15 -1.66 -0.13 0.00 -1.33 0.00 0.00 58.87 55.60 1ocp n SER 14 Cb 1.07 0.04 0.01 0.00 -0.75 0.00 0.00 64.21 64.57 1ocp n SER 14 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1ocp n ILE 15 N 0.08 -0.25 -1.27 2.46 2.08 -1.26 -4.28 119.36 116.91 1ocp n ILE 15 Ca -0.09 -2.34 -0.31 0.00 0.56 0.00 0.00 62.75 60.57 1ocp n ILE 15 Cb 0.70 0.30 0.09 0.00 -0.75 0.00 0.00 39.64 39.98 1ocp n ILE 15 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1ocp s GLU 16 N 0.08 2.23 0.58 0.38 2.12 -1.26 -4.74 118.70 118.09 1ocp s GLU 16 Ca 0.33 1.20 0.33 0.00 0.36 0.00 0.00 54.97 57.19 1ocp s GLU 16 Cb 0.20 -1.89 1.81 0.00 0.26 0.00 0.00 34.13 34.51 1ocp s GLU 16 CO -0.20 -1.67 2.20 -0.91 -0.54 0.00 0.00 175.26 174.15 1ocp h ASN 17 N -1.09 0.00 1.13 -1.70 2.35 -1.99 -0.60 115.58 113.68 1ocp h ASN 17 Ca -0.44 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.13 1ocp h ASN 17 Cb 1.23 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 1ocp h ASN 17 CO 0.51 0.04 -0.88 -0.09 -1.65 0.00 0.00 177.43 175.37 1ocp h ARG 18 N 0.00 0.00 -0.29 0.81 2.43 -1.98 -3.19 114.38 112.16 1ocp h ARG 18 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1ocp h ARG 18 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1ocp h ARG 18 CO 0.01 0.82 0.06 -0.24 -1.51 0.00 0.00 179.97 179.10 1ocp h VAL 19 N 0.00 1.22 -0.01 0.20 3.04 -1.44 0.29 116.25 119.55 1ocp h VAL 19 Ca -0.02 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 1ocp h VAL 19 Cb 1.66 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 32.10 1ocp h VAL 19 CO 0.11 0.25 0.00 0.03 -1.01 0.00 0.00 177.57 176.95 1ocp h ARG 20 N 0.31 0.01 0.00 4.17 3.08 -1.59 -0.73 114.38 119.63 1ocp h ARG 20 Ca 0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ocp h ARG 20 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ocp h ARG 20 CO 0.00 0.01 0.00 0.91 -1.07 0.00 0.00 179.97 179.82 1ocp n TRP 21 N -5.08 0.00 0.09 3.04 5.03 -1.18 -1.54 117.44 117.80 1ocp n TRP 21 Ca -0.07 0.00 -0.17 0.00 3.03 0.00 0.00 57.50 60.30 1ocp n TRP 21 Cb 0.03 -0.25 -0.11 0.00 -1.03 0.00 0.00 31.31 29.95 1ocp n TRP 21 CO 0.00 0.00 0.00 0.77 -0.03 0.00 0.00 177.69 178.43 1ocp h SER 22 N 0.00 0.56 -0.48 -0.99 0.02 0.89 -2.64 113.55 110.91 1ocp h SER 22 Ca 0.00 -0.53 0.05 0.00 -0.84 0.00 0.00 61.79 60.47 1ocp h SER 22 Cb 0.22 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1ocp h SER 22 CO 0.00 1.37 0.22 -0.07 -1.14 0.00 0.00 176.83 177.21 1ocp h LEU 23 N 0.16 0.30 -1.00 5.07 3.38 -0.12 -0.95 115.31 122.16 1ocp h LEU 23 Ca -0.13 0.03 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1ocp h LEU 23 Cb 1.84 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.49 1ocp h LEU 23 CO 0.20 0.21 0.63 -0.33 0.09 0.00 0.00 178.44 179.24 1ocp h GLU 24 N 0.44 0.99 -0.66 1.13 4.39 -1.35 -0.25 114.58 119.28 1ocp h GLU 24 Ca 0.21 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1ocp h GLU 24 Cb 0.15 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1ocp h GLU 24 CO -0.17 0.65 0.32 1.15 -1.16 0.00 0.00 179.01 179.81 1ocp h THR 25 N 1.02 1.21 0.00 1.13 2.02 -0.82 -0.57 112.91 116.90 1ocp h THR 25 Ca 0.48 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1ocp h THR 25 Cb 0.43 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1ocp h THR 25 CO -0.25 0.25 -0.36 -0.03 0.37 0.00 0.00 175.52 175.50 1ocp h MET 26 N 0.93 0.00 0.00 6.66 1.85 -0.73 -3.22 114.93 120.41 1ocp h MET 26 Ca 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.32 1ocp h MET 26 Cb 0.09 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.12 1ocp h MET 26 CO -0.03 0.36 -0.73 1.19 -0.40 0.00 0.00 176.91 177.29 1ocp n PHE 27 N -3.26 0.25 -1.76 1.39 3.72 -0.40 -4.39 117.46 113.01 1ocp n PHE 27 Ca 0.02 0.07 -0.33 0.00 -0.05 0.00 0.00 57.45 57.15 1ocp n PHE 27 Cb 0.62 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.83 7.23 0.07 4.37 4.77 -0.29 -4.15 117.00 127.17 1ocp n LEU 28 Ca 0.04 -4.49 0.00 0.00 -0.03 0.00 0.00 56.01 51.53 1ocp n LEU 28 Cb 0.40 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1ocp n LEU 28 CO 0.37 1.89 0.00 1.17 -1.33 0.00 0.00 177.39 179.50 1ocp n LYS 29 N 1.22 0.00 -4.06 3.23 3.00 -1.26 -5.03 118.16 115.25 1ocp n LYS 29 Ca 0.55 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.78 1ocp n LYS 29 Cb 0.40 -0.41 -0.09 0.00 0.00 0.00 0.00 35.03 34.93 1ocp n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ocp n PRO 31 N -0.01 1.19 -3.64 0.00 -0.04 -1.26 -4.38 135.00 126.87 1ocp n PRO 31 Ca -0.11 -0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 62.77 1ocp n PRO 31 Cb 0.62 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.56 2.35 -1.72 0.54 2.85 -1.26 -5.08 118.16 115.27 1ocp n LYS 32 Ca 0.18 -4.57 -0.31 0.00 -1.05 0.00 0.00 58.31 52.56 1ocp n LYS 32 Cb 0.15 -2.31 0.03 0.00 -0.65 0.00 0.00 35.03 32.26 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 -1.93 3.18 0.05 -1.58 0.04 -1.26 -5.03 135.00 128.47 1ocp s PRO 33 Ca 0.31 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 1ocp s PRO 33 Cb 0.03 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1ocp s PRO 33 CO -0.09 -0.91 0.54 -1.12 0.04 0.00 0.00 177.00 175.46 1ocp s SER 34 N -3.76 7.01 0.51 6.66 0.01 -1.26 -4.94 113.70 117.94 1ocp s SER 34 Ca 0.58 1.20 0.22 0.00 1.31 0.00 0.00 55.95 59.25 1ocp s SER 34 Cb -0.13 -2.34 1.37 0.00 0.21 0.00 0.00 66.02 65.12 1ocp s SER 34 CO 0.52 0.27 2.10 -0.07 0.41 0.00 0.00 173.24 176.47 1ocp h LEU 35 N 4.69 0.00 -0.55 2.44 3.38 -1.99 0.25 115.31 123.53 1ocp h LEU 35 Ca -0.49 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.34 1ocp h LEU 35 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1ocp h LEU 35 CO 0.64 0.09 -0.28 1.56 0.09 0.00 0.00 178.44 180.54 1ocp h GLN 36 N 0.00 0.87 0.00 1.13 4.20 -2.00 -1.43 115.11 117.88 1ocp h GLN 36 Ca -0.00 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1ocp h GLN 36 Cb 0.19 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1ocp h GLN 36 CO 0.01 1.04 -0.06 0.37 -0.67 0.00 0.00 178.83 179.51 1ocp h GLN 37 N 0.74 0.00 0.01 1.46 4.15 -0.98 -1.86 115.11 118.62 1ocp h GLN 37 Ca 0.09 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.32 1ocp h GLN 37 Cb 0.83 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1ocp h GLN 37 CO 0.07 0.06 -0.87 0.82 -1.93 0.00 0.00 178.83 176.99 1ocp h ILE 38 N 0.00 1.53 -0.51 2.39 1.08 0.01 0.58 117.51 122.59 1ocp h ILE 38 Ca -0.00 -2.71 -0.13 0.00 -0.39 0.00 0.00 64.86 61.63 1ocp h ILE 38 Cb 0.49 2.50 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 1ocp h ILE 38 CO 0.01 0.78 -0.19 0.74 -0.69 0.00 0.00 178.15 178.81 1ocp h THR 39 N 0.07 1.27 0.00 -0.27 2.02 -0.78 -1.81 112.91 113.41 1ocp h THR 39 Ca -0.03 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 1ocp h THR 39 Cb 1.51 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1ocp h THR 39 CO 0.13 0.47 -0.12 0.45 0.37 0.00 0.00 175.52 176.82 1ocp h HIS 40 N 0.89 0.00 -0.36 3.16 3.86 -1.30 -2.74 115.15 118.65 1ocp h HIS 40 Ca 0.12 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 1ocp h HIS 40 Cb 0.77 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1ocp h HIS 40 CO 0.05 0.12 -0.17 0.82 0.86 0.00 0.00 177.93 179.62 1ocp h ILE 41 N 0.00 1.28 0.26 2.45 5.03 -0.14 0.92 117.51 127.31 1ocp h ILE 41 Ca -0.00 -1.28 -0.01 0.00 -0.12 0.00 0.00 64.86 63.44 1ocp h ILE 41 Cb 0.80 1.35 0.00 0.00 -3.03 0.00 0.00 36.82 35.94 1ocp h ILE 41 CO 0.02 0.42 -0.13 0.00 -0.68 0.00 0.00 178.15 177.78 1ocp h ALA 42 N 0.79 -0.35 0.00 1.87 0.00 -1.09 0.33 119.26 120.81 1ocp h ALA 42 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ocp h ALA 42 Cb 0.71 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ocp h ALA 42 CO 0.05 -0.66 0.00 -0.97 0.00 0.00 0.00 179.25 177.67 1ocp h ASN 43 N -0.43 0.00 -0.14 0.00 -0.73 -1.44 0.63 115.58 113.47 1ocp h ASN 43 Ca -0.04 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.00 1ocp h ASN 43 Cb 0.32 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 1ocp h ASN 43 CO 0.06 0.00 -0.39 -0.61 -0.37 0.00 0.00 177.43 176.12 1ocp h GLN 44 N 0.00 0.67 0.00 6.67 -0.00 0.13 -3.30 115.11 119.27 1ocp h GLN 44 Ca 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 58.65 58.30 1ocp h GLN 44 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.57 1ocp h GLN 44 CO 0.00 0.94 -0.30 1.47 0.00 0.00 0.00 178.83 180.94 1ocp n LEU 45 N -4.04 1.71 -2.27 -2.39 -0.00 -0.50 -4.99 117.00 104.51 1ocp n LEU 45 Ca -0.02 -2.61 -0.08 0.00 -0.00 0.00 0.00 56.01 53.30 1ocp n LEU 45 Cb 0.52 -0.30 -0.01 0.00 -0.00 0.00 0.00 43.42 43.63 1ocp n LEU 45 CO 0.46 0.69 -0.10 0.61 -0.00 0.00 0.00 177.39 179.05 1ocp n GLY 46 N -0.86 -0.29 3.99 1.47 0.00 0.21 -4.49 105.19 105.22 1ocp n GLY 46 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -5.06 2.90 0.00 0.99 2.34 -1.11 -5.00 118.68 113.73 1ocp s LEU 47 Ca 0.00 -1.04 -0.01 0.00 0.06 0.00 0.00 54.13 53.15 1ocp s LEU 47 Cb 0.00 -1.39 0.06 0.00 -0.56 0.00 0.00 46.19 44.29 1ocp s LEU 47 CO 0.00 -1.29 0.38 -1.84 -1.06 0.00 0.00 176.35 172.54 1ocp n GLU 48 N -2.09 0.26 0.04 1.48 0.28 -1.26 -4.72 120.64 114.64 1ocp n GLU 48 Ca 0.09 -0.97 0.12 0.00 -0.16 0.00 0.00 57.16 56.24 1ocp n GLU 48 Cb 0.63 -0.27 0.21 0.00 1.43 0.00 0.00 31.44 33.43 1ocp n GLU 48 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ocp n LYS 49 N -1.72 0.21 0.09 3.44 5.02 -1.26 -3.12 118.16 120.83 1ocp n LYS 49 Ca 0.06 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.19 1ocp n LYS 49 Cb 0.22 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.44 1ocp n LYS 49 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1ocp h ASP 50 N 0.00 0.66 1.71 4.39 3.58 -1.99 -2.32 116.42 122.45 1ocp h ASP 50 Ca 0.00 -0.92 -0.06 0.00 0.42 0.00 0.00 57.03 56.47 1ocp h ASP 50 Cb 0.68 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1ocp h ASP 50 CO 0.00 1.53 -0.29 1.62 -2.88 0.00 0.00 179.24 179.22 1ocp h VAL 51 N -0.10 0.46 0.01 2.25 3.04 -1.97 -2.65 116.25 117.28 1ocp h VAL 51 Ca -0.19 -1.65 -0.20 0.00 -1.01 0.00 0.00 66.70 63.65 1ocp h VAL 51 Cb 1.86 2.22 -0.01 0.00 -2.01 0.00 0.00 31.29 33.35 1ocp h VAL 51 CO 0.21 0.26 -0.90 1.62 -1.01 0.00 0.00 177.57 177.75 1ocp h VAL 52 N 0.00 1.51 0.20 1.51 3.04 -1.60 -2.38 116.25 118.52 1ocp h VAL 52 Ca -0.00 -2.69 -0.29 0.00 -1.01 0.00 0.00 66.70 62.70 1ocp h VAL 52 Cb 1.21 2.51 0.03 0.00 -2.01 0.00 0.00 31.29 33.03 1ocp h VAL 52 CO 0.03 0.78 -1.28 -0.09 -1.01 0.00 0.00 177.57 176.01 1ocp h ARG 53 N 0.10 0.51 -0.53 4.17 1.12 -1.41 -2.34 114.38 116.00 1ocp h ARG 53 Ca -0.05 -0.82 -0.07 0.00 -1.11 0.00 0.00 59.98 57.93 1ocp h ARG 53 Cb 1.54 0.30 -0.02 0.00 -0.01 0.00 0.00 29.97 31.77 1ocp h ARG 53 CO 0.14 1.38 0.04 0.28 -3.11 0.00 0.00 179.97 178.70 1ocp h VAL 54 N 0.06 1.26 -0.46 0.20 2.07 -1.55 0.50 116.25 118.34 1ocp h VAL 54 Ca -0.22 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1ocp h VAL 54 Cb 1.99 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1ocp h VAL 54 CO 0.24 0.37 0.11 -0.25 0.02 0.00 0.00 177.57 178.06 1ocp h TRP 55 N 0.79 0.77 -0.00 1.57 7.01 -1.51 -1.91 115.95 122.66 1ocp h TRP 55 Ca 0.16 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1ocp h TRP 55 Cb 0.47 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1ocp h TRP 55 CO 0.04 0.71 -0.03 0.34 -2.79 0.00 0.00 178.44 176.70 1ocp n PHE 56 N -4.50 0.00 -0.03 2.65 7.35 -0.88 -3.07 117.46 118.98 1ocp n PHE 56 Ca 0.01 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.54 1ocp n PHE 56 Cb 0.22 -0.10 -0.08 0.00 0.35 0.00 0.00 39.48 39.86 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 0.13 0.93 0.01 0.00 4.21 -1.58 -2.44 115.58 116.84 1ocp h ASN 58 Ca -0.03 -0.65 -0.00 0.00 1.21 0.00 0.00 56.30 56.83 1ocp h ASN 58 Cb 1.13 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 38.05 1ocp h ASN 58 CO 0.10 1.44 -0.01 0.03 -1.29 0.00 0.00 177.43 177.70 1ocp h ARG 59 N 0.49 0.00 0.09 0.81 -0.00 -1.53 -2.42 114.38 111.83 1ocp h ARG 59 Ca -0.07 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.26 1ocp h ARG 59 Cb 1.46 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.44 1ocp h ARG 59 CO 0.17 0.01 -0.70 0.00 0.00 0.00 0.00 179.97 179.44 1ocp h ARG 60 N 0.00 0.19 -2.09 0.04 3.08 -1.02 -3.36 114.38 111.23 1ocp h ARG 60 Ca -0.00 -0.32 -0.78 0.00 0.07 0.00 0.00 59.98 58.96 1ocp h ARG 60 Cb 0.01 0.12 -0.28 0.00 0.08 0.00 0.00 29.97 29.90 1ocp h ARG 60 CO 0.00 1.15 0.96 0.00 -1.07 0.00 0.00 179.97 181.01 1ocp n GLN 61 N -4.25 3.82 0.18 0.04 10.64 -0.93 -4.60 117.38 122.27 1ocp n GLN 61 Ca -0.16 -4.02 0.07 0.00 -1.83 0.00 0.00 57.00 51.06 1ocp n GLN 61 Cb 0.73 -2.34 0.17 0.00 -0.86 0.00 0.00 30.24 27.93 1ocp n GLN 61 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1ocp h LYS 62 N 3.45 0.00 -0.93 2.61 1.57 -1.60 -3.38 116.57 118.29 1ocp h LYS 62 Ca 0.54 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.95 1ocp h LYS 62 Cb 0.18 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.23 1ocp h LYS 62 CO 1.31 0.30 -0.78 0.41 -0.57 0.00 0.00 179.45 180.12 1ocp n GLY 63 N 0.94 1.56 0.01 3.86 0.00 -1.26 -4.98 105.19 105.33 1ocp n GLY 63 Ca 0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.34 1ocp n GLY 63 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ocp h LYS 64 N 3.66 0.00 -1.02 1.61 3.64 -1.90 -3.39 116.57 119.17 1ocp h LYS 64 Ca -0.03 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.87 1ocp h LYS 64 Cb 0.99 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.54 1ocp h LYS 64 CO 0.36 0.00 0.60 0.54 -2.27 0.00 0.00 179.45 178.68 1ocp n ARG 65 N -2.72 2.14 -2.91 1.90 1.74 -1.26 -4.92 116.66 110.62 1ocp n ARG 65 Ca -0.01 -2.64 -0.08 0.00 -0.77 0.00 0.00 57.85 54.36 1ocp n ARG 65 Cb 0.03 -2.03 -0.01 0.00 -1.02 0.00 0.00 32.46 29.43 1ocp n ARG 65 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ocp n SER 66 N -0.87 -1.02 0.00 0.55 7.64 -1.26 -5.27 113.62 113.39 1ocp n SER 66 Ca 0.52 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 58.31 1ocp n SER 66 Cb 1.37 1.81 0.00 0.00 -1.01 0.00 0.00 64.21 66.39 1ocp n SER 66 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79