#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpx h ILE 7 N 0.00 0.73 0.00 -0.61 2.04 -2.05 -0.40 117.51 117.23 1jpx h ILE 7 Ca 0.00 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1jpx h ILE 7 Cb 0.00 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1jpx h ILE 7 CO 0.00 0.06 -0.41 0.58 0.00 0.00 0.00 178.15 178.37 1jpx h VAL 8 N 0.00 0.89 0.21 1.67 2.07 -1.98 0.73 116.25 119.84 1jpx h VAL 8 Ca -0.00 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 1jpx h VAL 8 Cb 0.12 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1jpx h VAL 8 CO 0.01 0.41 -0.10 -0.61 0.02 0.00 0.00 177.57 177.29 1jpx h GLN 9 N 0.00 -0.28 -0.79 1.57 5.75 -1.53 -2.76 115.11 117.08 1jpx h GLN 9 Ca -0.00 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.61 1jpx h GLN 9 Cb 1.02 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.58 1jpx h GLN 9 CO 0.05 0.10 0.51 0.37 -2.65 0.00 0.00 178.83 177.22 1jpx h GLN 10 N -0.88 0.71 -0.44 1.69 5.75 -1.44 -1.30 115.11 119.19 1jpx h GLN 10 Ca -0.03 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1jpx h GLN 10 Cb 0.51 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 1jpx h GLN 10 CO 0.05 0.47 0.08 0.37 -2.65 0.00 0.00 178.83 177.14 1jpx h GLN 11 N 0.73 0.20 0.00 1.69 5.75 -0.79 -0.34 115.11 122.34 1jpx h GLN 11 Ca 0.36 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.74 1jpx h GLN 11 Cb 0.44 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1jpx h GLN 11 CO -0.14 0.13 -0.52 0.37 -2.65 0.00 0.00 178.83 176.03 1jpx h GLN 12 N 0.21 0.00 -0.20 1.69 5.75 -0.95 -2.44 115.11 119.16 1jpx h GLN 12 Ca 0.21 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.64 1jpx h GLN 12 Cb 0.28 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 1jpx h GLN 12 CO -0.29 0.52 -0.15 1.96 -2.65 0.00 0.00 178.83 178.22 1jpx h GLN 13 N 0.00 0.45 -0.58 1.69 4.20 -0.77 -1.98 115.11 118.12 1jpx h GLN 13 Ca -0.01 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 1jpx h GLN 13 Cb 1.03 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1jpx h GLN 13 CO 0.07 0.78 0.17 -0.07 -0.67 0.00 0.00 178.83 179.10 1jpx h LEU 14 N 0.13 0.81 -1.47 1.46 3.38 -1.09 -1.65 115.31 116.88 1jpx h LEU 14 Ca 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1jpx h LEU 14 Cb 0.67 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jpx h LEU 14 CO 0.04 0.78 0.00 0.25 0.09 0.00 0.00 178.44 179.59 1jpx h LEU 15 N 0.85 0.00 0.04 1.67 5.85 -1.25 -2.21 115.31 120.25 1jpx h LEU 15 Ca 0.19 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.57 1jpx h LEU 15 Cb 0.27 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1jpx h LEU 15 CO -0.01 0.00 -1.97 0.47 -0.34 0.00 0.00 178.44 176.59 1jpx n ASP 16 N -3.04 1.19 -0.18 1.25 10.43 -0.76 -2.38 116.55 123.05 1jpx n ASP 16 Ca 0.01 0.24 -0.08 0.00 2.57 0.00 0.00 54.79 57.52 1jpx n ASP 16 Cb 0.29 -0.15 0.01 0.00 1.84 0.00 0.00 41.12 43.12 1jpx n ASP 16 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1jpx h VAL 17 N 0.02 1.21 0.00 2.53 2.07 -1.21 -0.26 116.25 120.61 1jpx h VAL 17 Ca -0.40 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1jpx h VAL 17 Cb 2.05 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1jpx h VAL 17 CO 0.06 0.24 -0.30 0.58 0.02 0.00 0.00 177.57 178.16 1jpx h VAL 18 N 0.68 0.71 -0.04 2.57 2.07 -1.54 -1.09 116.25 119.61 1jpx h VAL 18 Ca 0.17 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1jpx h VAL 18 Cb 0.16 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1jpx h VAL 18 CO -0.02 0.30 -0.24 0.50 0.02 0.00 0.00 177.57 178.13 1jpx h LYS 19 N 0.00 0.23 -0.33 1.57 1.63 -1.08 -3.03 116.57 115.56 1jpx h LYS 19 Ca -0.00 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.55 1jpx h LYS 19 Cb 0.86 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1jpx h LYS 19 CO 0.04 0.86 -0.01 0.00 -3.45 0.00 0.00 179.45 176.89 1jpx h ARG 20 N -0.33 0.60 0.00 1.90 2.47 -0.95 -2.83 114.38 115.23 1jpx h ARG 20 Ca -0.02 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.50 1jpx h ARG 20 Cb 0.91 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1jpx h ARG 20 CO 0.05 0.73 -0.06 1.96 0.56 0.00 0.00 179.97 183.21 1jpx h GLN 21 N 0.40 0.00 -0.48 0.04 4.20 -1.30 -0.67 115.11 117.29 1jpx h GLN 21 Ca 0.09 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1jpx h GLN 21 Cb 0.46 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1jpx h GLN 21 CO 0.02 0.06 -0.07 0.37 -0.67 0.00 0.00 178.83 178.53 1jpx h GLN 22 N 0.00 0.86 -0.14 1.46 5.75 -1.37 0.74 115.11 122.41 1jpx h GLN 22 Ca -0.00 -0.27 -0.14 0.00 -0.15 0.00 0.00 58.65 58.08 1jpx h GLN 22 Cb 0.11 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1jpx h GLN 22 CO 0.01 0.90 -0.52 0.93 -2.65 0.00 0.00 178.83 177.50 1jpx h GLU 23 N 0.78 0.39 -0.09 1.69 5.08 -1.05 -2.23 114.58 119.14 1jpx h GLU 23 Ca 0.14 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 1jpx h GLU 23 Cb 0.57 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1jpx h GLU 23 CO 0.03 0.82 -0.54 1.25 -1.00 0.00 0.00 179.01 179.57 1jpx h LEU 24 N 0.31 0.28 -0.04 1.33 5.85 -0.89 -2.63 115.31 119.52 1jpx h LEU 24 Ca 0.01 -0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.38 1jpx h LEU 24 Cb 1.02 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.98 1jpx h LEU 24 CO 0.09 0.77 -0.76 -0.07 -0.34 0.00 0.00 178.44 178.12 1jpx h LEU 25 N 0.20 0.73 -2.50 2.25 3.38 -0.76 -2.06 115.31 116.54 1jpx h LEU 25 Ca 0.00 -0.72 0.02 0.00 0.09 0.00 0.00 57.88 57.27 1jpx h LEU 25 Cb 1.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1jpx h LEU 25 CO 0.08 1.35 0.09 0.03 0.09 0.00 0.00 178.44 180.08 1jpx h ARG 26 N 0.19 0.00 0.14 1.13 3.08 -1.31 0.10 114.38 117.71 1jpx h ARG 26 Ca -0.09 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.77 1jpx h ARG 26 Cb 1.43 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.50 1jpx h ARG 26 CO 0.15 0.00 -0.88 -0.07 -1.07 0.00 0.00 179.97 178.10 1jpx h LEU 27 N 0.00 0.46 -0.34 3.04 3.38 -1.25 -1.77 115.31 118.83 1jpx h LEU 27 Ca 0.03 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1jpx h LEU 27 Cb 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jpx h LEU 27 CO -0.00 1.42 0.00 0.71 0.09 0.00 0.00 178.44 180.66 1jpx h THR 28 N -0.37 0.00 0.04 0.22 1.35 -0.59 0.20 112.91 113.76 1jpx h THR 28 Ca -0.16 -0.49 -0.27 0.00 -0.55 0.00 0.00 66.41 64.94 1jpx h THR 28 Cb 1.66 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 69.46 1jpx h THR 28 CO 0.14 0.00 -1.43 0.58 -0.25 0.00 0.00 175.52 174.56 1jpx h VAL 29 N 0.00 1.22 -0.40 6.82 2.07 -0.91 -0.63 116.25 124.41 1jpx h VAL 29 Ca 0.00 -2.96 -0.11 0.00 0.82 0.00 0.00 66.70 64.45 1jpx h VAL 29 Cb 0.65 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1jpx h VAL 29 CO 0.00 0.75 -0.18 -0.25 0.02 0.00 0.00 177.57 177.92 1jpx h TRP 30 N 0.02 0.95 -0.08 1.57 7.01 -0.47 -0.23 115.95 124.72 1jpx h TRP 30 Ca -0.19 -0.23 -0.05 0.00 2.11 0.00 0.00 58.89 60.53 1jpx h TRP 30 Cb 1.93 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.77 1jpx h TRP 30 CO 0.02 0.99 -0.14 0.78 -2.79 0.00 0.00 178.44 177.30 1jpx h GLY 31 N 0.64 0.26 0.56 2.65 0.00 -0.68 -3.28 103.07 103.23 1jpx h GLY 31 Ca 0.09 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.15 1jpx h GLY 31 CO 0.06 0.27 -0.13 -0.84 0.00 0.00 0.00 176.54 175.90 1jpx h THR 32 N -0.22 0.65 -4.03 4.70 2.02 -1.07 -3.51 112.91 111.45 1jpx h THR 32 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.64 1jpx h THR 32 Cb 0.72 0.65 0.12 0.00 -1.74 0.00 0.00 68.15 67.90 1jpx h THR 32 CO 0.03 0.00 0.60 -0.54 0.37 0.00 0.00 175.52 175.98 1jpx s LYS 33 N -6.15 3.31 -0.20 6.66 1.02 -0.10 -5.07 119.74 119.20 1jpx s LYS 33 Ca -0.14 2.18 -0.08 0.00 0.02 0.00 0.00 55.97 57.94 1jpx s LYS 33 Cb 0.10 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1jpx s LYS 33 CO 0.67 -1.04 -0.24 0.94 -0.92 0.00 0.00 175.35 174.76 1jpx n GLN 48 N -0.84 0.44 0.11 1.68 -0.06 -1.26 -4.88 117.38 112.57 1jpx n GLN 48 Ca 0.09 0.17 0.09 0.00 -2.00 0.00 0.00 57.00 55.36 1jpx n GLN 48 Cb 0.45 -1.25 0.01 0.00 -4.06 0.00 0.00 30.24 25.39 1jpx n GLN 48 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1jpx h GLU 49 N -0.58 0.00 0.52 3.69 4.81 -2.06 -3.35 114.58 117.61 1jpx h GLU 49 Ca -0.50 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 1jpx h GLU 49 Cb 1.49 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.88 1jpx h GLU 49 CO -0.26 0.07 -0.25 2.35 -0.73 0.00 0.00 179.01 180.19 1jpx h TRP 50 N 0.00 -0.65 0.00 0.92 7.01 -2.04 -1.94 115.95 119.25 1jpx h TRP 50 Ca -0.03 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.96 1jpx h TRP 50 Cb 1.11 0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.39 1jpx h TRP 50 CO 0.00 -0.38 0.00 -1.91 -2.79 0.00 0.00 178.44 173.36 1jpx n GLU 51 N -5.37 0.57 -0.06 2.65 2.13 -1.26 -0.46 120.64 118.84 1jpx n GLU 51 Ca -0.12 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.63 1jpx n GLU 51 Cb 0.30 -1.06 -0.08 0.00 0.27 0.00 0.00 31.44 30.87 1jpx n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1jpx n ARG 52 N -0.36 1.45 -0.08 5.31 0.63 -0.84 -4.02 116.66 118.76 1jpx n ARG 52 Ca 0.00 0.03 -0.12 0.00 -0.92 0.00 0.00 57.85 56.84 1jpx n ARG 52 Cb 0.03 -1.30 -0.08 0.00 0.45 0.00 0.00 32.46 31.56 1jpx n ARG 52 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1jpx h LYS 53 N 0.00 0.00 -0.18 -0.14 1.57 -0.50 -3.27 116.57 114.05 1jpx h LYS 53 Ca -0.32 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1jpx h LYS 53 Cb 1.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 1jpx h LYS 53 CO -0.01 0.60 0.32 0.28 -0.57 0.00 0.00 179.45 180.07 1jpx h VAL 54 N -1.00 0.23 0.06 0.50 2.07 -1.03 -2.20 116.25 114.88 1jpx h VAL 54 Ca -0.10 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1jpx h VAL 54 Cb 0.79 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1jpx h VAL 54 CO -0.06 0.00 -0.62 0.44 0.02 0.00 0.00 177.57 177.35 1jpx h ASP 55 N 0.00 0.44 0.01 0.57 3.45 -1.70 -3.01 116.42 116.17 1jpx h ASP 55 Ca 0.09 -0.86 -0.06 0.00 0.43 0.00 0.00 57.03 56.62 1jpx h ASP 55 Cb 0.73 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 1jpx h ASP 55 CO -0.00 1.25 -0.16 -0.26 -1.57 0.00 0.00 179.24 178.50 1jpx h PHE 56 N -0.32 0.33 -0.20 4.55 -1.00 -1.46 -2.36 116.94 116.48 1jpx h PHE 56 Ca -0.09 -0.05 -0.11 0.00 2.81 0.00 0.00 57.97 60.53 1jpx h PHE 56 Cb 1.40 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.86 1jpx h PHE 56 CO 0.18 0.46 -0.36 -0.07 -1.61 0.00 0.00 178.31 176.91 1jpx h LEU 57 N 0.28 0.45 -1.50 1.54 3.38 -1.56 -1.27 115.31 116.64 1jpx h LEU 57 Ca 0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jpx h LEU 57 Cb 0.46 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jpx h LEU 57 CO 0.03 0.78 -0.00 -0.33 0.09 0.00 0.00 178.44 179.00 1jpx h GLU 58 N 0.37 0.00 0.07 1.13 5.08 -1.29 -2.34 114.58 117.60 1jpx h GLU 58 Ca 0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.09 1jpx h GLU 58 Cb 0.81 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1jpx h GLU 58 CO 0.07 0.00 -1.67 0.93 -1.00 0.00 0.00 179.01 177.34 1jpx h GLU 59 N 0.00 0.15 -0.79 2.33 5.08 -1.18 -3.26 114.58 116.91 1jpx h GLU 59 Ca -0.00 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1jpx h GLU 59 Cb 0.50 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1jpx h GLU 59 CO 0.00 1.13 0.52 -0.91 -1.00 0.00 0.00 179.01 178.75 1jpx h ASN 60 N -0.40 0.91 0.64 1.42 4.21 -1.24 -1.85 115.58 119.27 1jpx h ASN 60 Ca -0.39 -0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.03 1jpx h ASN 60 Cb 1.72 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.68 1jpx h ASN 60 CO -0.04 0.66 -0.29 0.40 -1.29 0.00 0.00 177.43 176.87 1jpx h ILE 61 N 1.07 0.84 -0.02 2.81 2.04 -1.60 0.77 117.51 123.43 1jpx h ILE 61 Ca 0.29 -1.18 -0.25 0.00 1.00 0.00 0.00 64.86 64.72 1jpx h ILE 61 Cb -0.12 1.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1jpx h ILE 61 CO -0.06 0.29 -0.98 0.74 0.00 0.00 0.00 178.15 178.14 1jpx h THR 62 N 0.00 1.32 0.01 -0.27 2.02 -1.49 -0.67 112.91 113.82 1jpx h THR 62 Ca -0.00 -2.28 -0.00 0.00 0.77 0.00 0.00 66.41 64.90 1jpx h THR 62 Cb 0.70 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1jpx h THR 62 CO 0.04 0.70 -0.00 0.00 0.37 0.00 0.00 175.52 176.62 1jpx h ALA 63 N 0.54 -0.01 -0.29 6.16 0.00 -1.09 -2.36 119.26 122.20 1jpx h ALA 63 Ca -0.10 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1jpx h ALA 63 Cb 1.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1jpx h ALA 63 CO 0.19 -0.32 0.20 -0.07 0.00 0.00 0.00 179.25 179.25 1jpx h LEU 64 N -0.38 0.18 -0.71 0.00 3.38 -0.85 0.04 115.31 116.97 1jpx h LEU 64 Ca -0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1jpx h LEU 64 Cb 0.37 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1jpx h LEU 64 CO 0.00 0.12 -0.60 -0.07 0.09 0.00 0.00 178.44 177.99 1jpx h LEU 65 N 0.21 0.18 0.23 1.67 3.38 -0.90 -1.98 115.31 118.10 1jpx h LEU 65 Ca 0.13 -0.10 -0.33 0.00 0.09 0.00 0.00 57.88 57.66 1jpx h LEU 65 Cb 0.25 -0.05 0.04 0.00 0.09 0.00 0.00 40.66 40.98 1jpx h LEU 65 CO -0.02 0.74 -1.44 -0.08 0.09 0.00 0.00 178.44 177.73 1jpx h GLU 66 N 0.12 0.57 -0.83 1.13 4.22 -0.59 -1.70 114.58 117.50 1jpx h GLU 66 Ca -0.01 -0.92 -0.01 0.00 0.08 0.00 0.00 59.36 58.51 1jpx h GLU 66 Cb 1.08 0.33 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 1jpx h GLU 66 CO 0.09 1.44 0.48 0.93 -2.18 0.00 0.00 179.01 179.76 1jpx h GLU 67 N 0.17 1.13 0.00 1.92 5.08 -1.07 0.18 114.58 121.99 1jpx h GLU 67 Ca -0.24 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1jpx h GLU 67 Cb 2.12 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 1jpx h GLU 67 CO 0.27 0.81 -0.22 0.00 -1.00 0.00 0.00 179.01 178.87 1jpx h ALA 68 N 1.26 1.47 0.04 3.43 0.00 -1.36 -1.12 119.26 122.98 1jpx h ALA 68 Ca 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jpx h ALA 68 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jpx h ALA 68 CO -0.05 0.28 -0.02 0.37 0.00 0.00 0.00 179.25 179.83 1jpx h GLN 69 N 0.00 -0.05 -1.01 0.00 5.75 -0.22 -2.75 115.11 116.83 1jpx h GLN 69 Ca -0.00 0.00 0.24 0.00 -0.15 0.00 0.00 58.65 58.75 1jpx h GLN 69 Cb 0.44 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 28.90 1jpx h GLN 69 CO 0.03 0.42 0.64 0.82 -2.65 0.00 0.00 178.83 178.09 1jpx h ILE 70 N -0.98 0.57 -0.49 2.39 2.04 -0.61 0.29 117.51 120.72 1jpx h ILE 70 Ca -0.01 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 1jpx h ILE 70 Cb 0.50 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1jpx h ILE 70 CO 0.01 0.09 -0.15 -0.61 0.00 0.00 0.00 178.15 177.48 1jpx h GLN 71 N 0.48 0.96 -0.69 2.37 5.75 -1.26 -2.71 115.11 120.01 1jpx h GLN 71 Ca 0.59 -0.37 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1jpx h GLN 71 Cb 1.33 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.79 1jpx h GLN 71 CO -0.33 1.03 0.45 1.96 -2.65 0.00 0.00 178.83 179.30 1jpx h GLN 72 N 0.84 0.88 0.00 1.69 1.08 -0.14 -0.98 115.11 118.48 1jpx h GLN 72 Ca 0.12 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1jpx h GLN 72 Cb 0.71 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1jpx h GLN 72 CO 0.05 0.58 -0.24 0.93 -0.95 0.00 0.00 178.83 179.21 1jpx h GLU 73 N 0.90 0.00 0.00 1.46 4.39 -1.09 -1.83 114.58 118.42 1jpx h GLU 73 Ca 0.26 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 1jpx h GLU 73 Cb -0.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1jpx h GLU 73 CO -0.06 0.24 -0.11 1.57 -1.16 0.00 0.00 179.01 179.48 1jpx h LYS 74 N 0.00 0.00 -0.07 2.33 5.09 -1.01 -3.23 116.57 119.68 1jpx h LYS 74 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.76 1jpx h LYS 74 Cb 0.56 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.89 1jpx h LYS 74 CO 0.03 0.68 0.05 -0.91 -2.09 0.00 0.00 179.45 177.22 1jpx h ASN 75 N -1.00 0.00 0.59 7.07 -0.26 -1.27 -1.64 115.58 119.07 1jpx h ASN 75 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1jpx h ASN 75 Cb 0.72 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 1jpx h ASN 75 CO -0.02 0.00 0.00 0.23 -1.06 0.00 0.00 177.43 176.58 1jpx n MET 76 N -4.48 0.33 0.05 0.81 2.00 -0.69 -3.01 117.12 112.12 1jpx n MET 76 Ca -0.01 0.03 -0.07 0.00 0.00 0.00 0.00 57.70 57.64 1jpx n MET 76 Cb 0.16 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.75 1jpx n MET 76 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 1jpx h TYR 77 N 0.00 0.01 0.00 2.03 3.20 -1.31 -3.50 116.97 117.40 1jpx h TYR 77 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1jpx h TYR 77 Cb 0.30 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1jpx h TYR 77 CO 0.00 1.01 0.00 -1.91 -1.64 0.00 0.00 178.16 175.62