#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6j h ARG 3 N 0.00 0.36 -4.56 1.61 2.47 -2.12 -3.41 114.38 108.73 1n6j h ARG 3 Ca 0.00 -0.02 -0.29 0.00 -1.26 0.00 0.00 59.98 58.41 1n6j h ARG 3 Cb 0.00 -0.08 -0.22 0.00 -1.65 0.00 0.00 29.97 28.02 1n6j h ARG 3 CO 0.00 0.24 -0.74 0.21 0.56 0.00 0.00 179.97 180.24 1n6j s LYS 4 N -5.39 0.53 0.03 0.04 2.20 -1.26 -5.13 119.74 110.76 1n6j s LYS 4 Ca -0.08 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 1n6j s LYS 4 Cb 0.22 -0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1n6j s LYS 4 CO 0.78 0.06 1.06 0.21 -0.36 0.00 0.00 175.35 177.10 1n6j s LYS 5 N -1.39 4.52 -0.05 4.03 2.20 -1.26 -5.04 119.74 122.75 1n6j s LYS 5 Ca -0.08 1.55 -0.01 0.00 -0.36 0.00 0.00 55.97 57.07 1n6j s LYS 5 Cb -0.09 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1n6j s LYS 5 CO 0.00 -0.12 0.03 0.96 -0.36 0.00 0.00 175.35 175.86 1n6j s ILE 6 N 0.99 4.43 0.59 5.43 -4.36 -1.26 -5.10 121.20 121.92 1n6j s ILE 6 Ca 0.54 -0.34 -0.15 0.00 -0.26 0.00 0.00 60.65 60.44 1n6j s ILE 6 Cb -0.24 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.50 1n6j s ILE 6 CO 0.29 0.50 1.05 -1.10 0.24 0.00 0.00 174.94 175.91 1n6j s GLN 7 N -1.23 3.39 -0.92 0.37 -1.52 -1.26 -4.96 119.66 113.53 1n6j s GLN 7 Ca 0.17 1.13 -0.18 0.00 -1.95 0.00 0.00 55.36 54.53 1n6j s GLN 7 Cb -0.12 -2.05 0.14 0.00 -0.22 0.00 0.00 33.01 30.77 1n6j s GLN 7 CO 0.07 -0.74 1.09 0.42 -0.25 0.00 0.00 175.29 175.87 1n6j s ILE 8 N -2.54 4.85 0.09 1.08 -1.09 -1.26 -4.92 121.20 117.41 1n6j s ILE 8 Ca 0.62 -1.72 -0.21 0.00 -2.23 0.00 0.00 60.65 57.11 1n6j s ILE 8 Cb -0.15 -4.74 0.05 0.00 -1.58 0.00 0.00 42.46 36.04 1n6j s ILE 8 CO 0.38 -1.45 0.51 -0.94 -1.23 0.00 0.00 174.94 172.21 1n6j s SER 9 N 3.42 -0.42 0.04 3.58 1.04 -1.26 -5.12 113.70 114.98 1n6j s SER 9 Ca 0.31 0.01 -0.38 0.00 0.48 0.00 0.00 55.95 56.37 1n6j s SER 9 Cb -0.05 0.51 -0.18 0.00 0.10 0.00 0.00 66.02 66.40 1n6j s SER 9 CO -0.09 -0.81 1.23 -1.14 0.98 0.00 0.00 173.24 173.40 1n6j n ARG 10 N 0.07 0.64 -2.48 4.02 0.63 -1.26 -4.86 116.66 113.41 1n6j n ARG 10 Ca -0.17 0.23 -0.43 0.00 -0.92 0.00 0.00 57.85 56.56 1n6j n ARG 10 Cb 0.62 -1.81 -0.02 0.00 0.45 0.00 0.00 32.46 31.70 1n6j n ARG 10 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1n6j s ILE 11 N 0.32 4.34 0.05 5.15 1.01 -1.26 -4.94 121.20 125.87 1n6j s ILE 11 Ca 0.88 1.64 -0.20 0.00 0.00 0.00 0.00 60.65 62.97 1n6j s ILE 11 Cb -1.10 -4.06 -0.13 0.00 0.01 0.00 0.00 42.46 37.19 1n6j s ILE 11 CO 0.52 -0.07 1.39 -0.07 0.00 0.00 0.00 174.94 176.71 1n6j h LEU 12 N 8.91 0.41 -9.16 2.97 3.38 -2.00 -3.44 115.31 116.37 1n6j h LEU 12 Ca -0.29 -0.43 -0.56 0.00 0.09 0.00 0.00 57.88 56.68 1n6j h LEU 12 Cb 1.13 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1n6j h LEU 12 CO 0.92 0.75 1.01 -0.62 0.09 0.00 0.00 178.44 180.59 1n6j s ASP 13 N -6.09 6.75 0.27 -0.43 2.15 -1.26 -4.92 116.67 113.13 1n6j s ASP 13 Ca -0.14 1.84 -0.01 0.00 0.43 0.00 0.00 52.55 54.68 1n6j s ASP 13 Cb 0.06 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.65 1n6j s ASP 13 CO 0.75 -0.91 1.80 -0.61 -0.17 0.00 0.00 175.17 176.03 1n6j h GLN 14 N 9.12 0.78 -0.22 4.34 4.15 -1.99 0.30 115.11 131.59 1n6j h GLN 14 Ca -0.32 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.02 1n6j h GLN 14 Cb 1.14 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 1n6j h GLN 14 CO 0.97 0.52 0.02 0.00 -1.93 0.00 0.00 178.83 178.41 1n6j h ARG 15 N 0.80 0.38 -0.14 1.69 3.08 -1.98 -2.20 114.38 116.02 1n6j h ARG 15 Ca 0.46 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.28 1n6j h ARG 15 Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1n6j h ARG 15 CO -0.30 0.55 -0.42 -0.91 -1.07 0.00 0.00 179.97 177.83 1n6j h ASN 16 N 0.17 0.34 -0.46 7.04 2.35 -1.88 -2.12 115.58 121.01 1n6j h ASN 16 Ca 0.07 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 1n6j h ASN 16 Cb 0.37 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1n6j h ASN 16 CO 0.01 0.72 0.07 -0.09 -1.65 0.00 0.00 177.43 176.49 1n6j h ARG 17 N 0.27 0.77 -0.10 0.81 2.43 -0.86 -0.33 114.38 117.37 1n6j h ARG 17 Ca 0.02 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1n6j h ARG 17 Cb 0.85 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1n6j h ARG 17 CO 0.07 0.79 -0.44 0.37 -1.51 0.00 0.00 179.97 179.25 1n6j h GLN 18 N 0.64 0.22 -0.05 0.20 5.75 -1.27 -0.89 115.11 119.71 1n6j h GLN 18 Ca 0.14 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.43 1n6j h GLN 18 Cb 0.39 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.95 1n6j h GLN 18 CO 0.01 0.62 -0.35 0.28 -2.65 0.00 0.00 178.83 176.74 1n6j h VAL 19 N 0.18 1.44 -0.61 2.39 2.07 -1.19 -2.54 116.25 118.00 1n6j h VAL 19 Ca 0.01 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 1n6j h VAL 19 Cb 0.85 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 1n6j h VAL 19 CO 0.07 0.52 0.30 0.74 0.02 0.00 0.00 177.57 179.22 1n6j h THR 20 N -0.20 1.20 0.25 2.57 2.02 -1.02 -2.37 112.91 115.37 1n6j h THR 20 Ca -0.03 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1n6j h THR 20 Cb 1.02 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1n6j h THR 20 CO 0.07 0.23 -0.15 0.15 0.37 0.00 0.00 175.52 176.19 1n6j h PHE 21 N 0.85 -0.38 -0.53 3.16 3.57 -1.11 0.41 116.94 122.91 1n6j h PHE 21 Ca 0.21 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1n6j h PHE 21 Cb 0.07 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1n6j h PHE 21 CO 0.01 -0.23 0.35 1.15 -2.23 0.00 0.00 178.31 177.35 1n6j h THR 22 N -0.38 1.13 0.05 4.41 2.02 -1.25 0.06 112.91 118.94 1n6j h THR 22 Ca -0.03 -0.24 -0.27 0.00 0.77 0.00 0.00 66.41 66.64 1n6j h THR 22 Cb 0.31 0.36 0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1n6j h THR 22 CO 0.04 0.13 -1.12 0.07 0.37 0.00 0.00 175.52 175.01 1n6j h LYS 23 N 0.71 0.59 0.00 6.66 2.10 -1.36 -2.95 116.57 122.33 1n6j h LYS 23 Ca 0.20 -0.71 -0.10 0.00 -2.00 0.00 0.00 60.65 58.04 1n6j h LYS 23 Cb -0.07 0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 1n6j h LYS 23 CO -0.05 1.30 -0.46 0.00 -2.00 0.00 0.00 179.45 178.24 1n6j h ARG 24 N 0.30 0.00 -0.46 0.07 3.08 -0.88 -1.41 114.38 115.08 1n6j h ARG 24 Ca -0.14 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1n6j h ARG 24 Cb 1.78 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.81 1n6j h ARG 24 CO 0.21 0.46 0.13 -0.22 -1.07 0.00 0.00 179.97 179.48 1n6j h LYS 25 N 0.00 0.73 -0.44 0.04 3.64 -1.00 -0.07 116.57 119.48 1n6j h LYS 25 Ca -0.00 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 1n6j h LYS 25 Cb 0.90 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1n6j h LYS 25 CO 0.06 0.71 -0.12 0.35 -2.27 0.00 0.00 179.45 178.19 1n6j h PHE 26 N 0.62 0.96 -0.81 1.91 3.57 -1.31 -1.81 116.94 120.06 1n6j h PHE 26 Ca 0.15 -0.21 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1n6j h PHE 26 Cb 0.30 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1n6j h PHE 26 CO 0.02 0.96 0.53 0.78 -2.23 0.00 0.00 178.31 178.37 1n6j h GLY 27 N 0.68 1.13 0.93 2.40 0.00 -0.98 0.29 103.07 107.51 1n6j h GLY 27 Ca 0.11 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 1n6j h GLY 27 CO 0.05 0.27 -0.41 -2.00 0.00 0.00 0.00 176.54 174.44 1n6j h LEU 28 N 0.89 0.68 -0.50 3.11 5.85 -0.76 -1.84 115.31 122.73 1n6j h LEU 28 Ca 0.35 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1n6j h LEU 28 Cb 0.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1n6j h LEU 28 CO -0.12 1.12 0.09 0.24 -0.34 0.00 0.00 178.44 179.42 1n6j h MET 29 N 0.27 0.83 -0.50 1.25 2.86 -0.79 -0.83 114.93 118.01 1n6j h MET 29 Ca -0.00 -0.22 0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1n6j h MET 29 Cb 1.02 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.53 1n6j h MET 29 CO 0.09 0.82 0.21 -0.22 1.06 0.00 0.00 176.91 178.87 1n6j h LYS 30 N 0.70 0.40 0.00 1.72 3.64 -0.38 0.16 116.57 122.81 1n6j h LYS 30 Ca 0.15 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1n6j h LYS 30 Cb 0.39 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1n6j h LYS 30 CO 0.01 0.26 -0.38 0.87 -2.27 0.00 0.00 179.45 177.94 1n6j h LYS 31 N 0.41 0.00 -0.37 1.90 1.57 -1.13 -1.39 116.57 117.56 1n6j h LYS 31 Ca 0.24 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1n6j h LYS 31 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1n6j h LYS 31 CO -0.21 0.38 -0.19 0.00 -0.57 0.00 0.00 179.45 178.86 1n6j h ALA 32 N 1.62 0.53 0.25 3.86 0.00 0.40 -1.23 119.26 124.69 1n6j h ALA 32 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1n6j h ALA 32 Cb 0.68 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1n6j h ALA 32 CO 0.05 0.47 -0.16 -0.92 0.00 0.00 0.00 179.25 178.69 1n6j h TYR 33 N 0.59 -0.43 -0.74 0.00 3.20 -0.39 -0.84 116.97 118.36 1n6j h TYR 33 Ca 0.08 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1n6j h TYR 33 Cb 0.74 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 1n6j h TYR 33 CO 0.06 -0.26 0.44 0.93 -1.64 0.00 0.00 178.16 177.69 1n6j h GLU 34 N -0.41 0.79 -0.75 1.82 5.08 -1.23 -1.71 114.58 118.18 1n6j h GLU 34 Ca -0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1n6j h GLU 34 Cb 0.34 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1n6j h GLU 34 CO 0.02 0.52 0.37 1.25 -1.00 0.00 0.00 179.01 180.17 1n6j h LEU 35 N 0.81 0.97 -0.80 1.33 5.85 -0.93 0.69 115.31 123.23 1n6j h LEU 35 Ca 0.32 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1n6j h LEU 35 Cb 0.16 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1n6j h LEU 35 CO -0.17 0.83 -0.02 0.77 -0.34 0.00 0.00 178.44 179.51 1n6j h SER 36 N 1.05 0.86 0.01 1.25 4.64 -0.31 -2.04 113.55 119.00 1n6j h SER 36 Ca 0.26 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1n6j h SER 36 Cb 0.10 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1n6j h SER 36 CO -0.03 0.93 -0.01 0.58 -0.87 0.00 0.00 176.83 177.43 1n6j h VAL 37 N 0.81 1.56 -0.89 0.95 2.07 -1.14 -1.85 116.25 117.77 1n6j h VAL 37 Ca 0.15 -1.91 0.04 0.00 0.82 0.00 0.00 66.70 65.80 1n6j h VAL 37 Cb 0.51 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 1n6j h VAL 37 CO 0.03 0.48 0.57 -0.07 0.02 0.00 0.00 177.57 178.60 1n6j h LEU 38 N -0.86 0.95 -2.62 2.57 3.38 -0.90 -3.17 115.31 114.66 1n6j h LEU 38 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n6j h LEU 38 Cb 0.80 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1n6j h LEU 38 CO 0.00 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1n6j n ASP 40 N 0.56 -6.02 -4.36 0.00 2.03 -0.75 -5.03 116.55 103.00 1n6j n ASP 40 Ca 0.11 -0.83 -0.18 0.00 0.52 0.00 0.00 54.79 54.41 1n6j n ASP 40 Cb 0.41 -4.17 -0.10 0.00 -0.72 0.00 0.00 41.12 36.53 1n6j n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n6j s GLU 42 N -3.80 3.74 -0.01 0.00 2.12 -1.26 -4.56 118.70 114.93 1n6j s GLU 42 Ca 0.28 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 55.19 1n6j s GLU 42 Cb 0.05 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 1n6j s GLU 42 CO 0.09 0.12 -0.16 0.42 -0.54 0.00 0.00 175.26 175.19 1n6j s ILE 43 N 0.73 1.26 -0.02 -3.70 1.01 -1.26 -5.00 121.20 114.21 1n6j s ILE 43 Ca 0.01 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 59.99 1n6j s ILE 43 Cb -0.14 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1n6j s ILE 43 CO 0.02 0.33 -0.15 0.00 0.00 0.00 0.00 174.94 175.14 1n6j s ALA 44 N -0.41 1.30 -0.07 9.38 0.00 -1.26 -0.21 121.76 130.49 1n6j s ALA 44 Ca 0.06 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1n6j s ALA 44 Cb -0.06 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1n6j s ALA 44 CO -0.00 0.29 -0.07 -1.17 0.00 0.00 0.00 175.76 174.80 1n6j s LEU 45 N -0.22 1.31 -0.14 0.00 2.96 0.19 -4.99 118.68 117.78 1n6j s LEU 45 Ca 0.03 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1n6j s LEU 45 Cb -0.07 -0.67 0.02 0.00 0.50 0.00 0.00 46.19 45.96 1n6j s LEU 45 CO 0.00 -0.06 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.16 1n6j s ILE 46 N 1.16 1.78 -0.08 6.68 1.01 -1.26 -0.96 121.20 129.53 1n6j s ILE 46 Ca -0.06 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1n6j s ILE 46 Cb -0.14 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1n6j s ILE 46 CO -0.02 0.49 -0.13 -0.63 0.00 0.00 0.00 174.94 174.66 1n6j s ILE 47 N 1.10 1.24 -0.19 2.92 1.01 0.24 -5.02 121.20 122.50 1n6j s ILE 47 Ca -0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1n6j s ILE 47 Cb -0.14 -1.14 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 1n6j s ILE 47 CO -0.06 0.38 -0.10 -0.36 0.00 0.00 0.00 174.94 174.81 1n6j s PHE 48 N 0.75 2.89 0.91 3.97 0.40 -1.26 -0.50 117.98 125.13 1n6j s PHE 48 Ca -0.13 -1.05 -0.15 0.00 -0.60 0.00 0.00 56.93 55.00 1n6j s PHE 48 Cb -0.16 -2.01 0.21 0.00 0.51 0.00 0.00 43.02 41.57 1n6j s PHE 48 CO 0.03 -0.55 1.23 0.27 0.70 0.00 0.00 175.22 176.90 1n6j n ASN 49 N 4.51 0.12 0.26 1.36 0.23 -0.72 -4.85 115.26 116.17 1n6j n ASN 49 Ca -0.19 -1.46 0.16 0.00 -0.53 0.00 0.00 54.58 52.56 1n6j n ASN 49 Cb 0.51 -0.94 0.88 0.00 -2.08 0.00 0.00 39.78 38.15 1n6j n ASN 49 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1n6j h SER 50 N -1.60 0.00 -0.48 0.53 4.64 -2.00 0.35 113.55 114.99 1n6j h SER 50 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1n6j h SER 50 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1n6j h SER 50 CO 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 1n6j n ALA 51 N -2.32 3.07 -1.90 5.18 0.00 -1.26 -4.92 120.51 118.37 1n6j n ALA 51 Ca -0.01 -1.23 -0.19 0.00 0.00 0.00 0.00 53.44 52.01 1n6j n ALA 51 Cb 0.20 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 1n6j n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n6j n ASN 52 N 0.73 -5.34 -4.78 0.00 4.13 0.11 -4.98 115.26 105.14 1n6j n ASN 52 Ca 0.20 0.26 -0.39 0.00 1.68 0.00 0.00 54.58 56.32 1n6j n ASN 52 Cb 0.75 -4.45 -0.06 0.00 -1.54 0.00 0.00 39.78 34.49 1n6j n ASN 52 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1n6j s ARG 53 N -4.18 4.50 -0.22 3.52 3.52 -1.26 -4.82 118.95 120.01 1n6j s ARG 53 Ca 0.00 1.07 -0.15 0.00 -0.13 0.00 0.00 55.73 56.53 1n6j s ARG 53 Cb 0.00 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1n6j s ARG 53 CO 0.00 0.54 0.35 -1.17 -0.81 0.00 0.00 175.30 174.22 1n6j s LEU 54 N -0.99 4.13 -0.07 -0.88 2.96 -1.26 -1.76 118.68 120.81 1n6j s LEU 54 Ca 0.35 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 1n6j s LEU 54 Cb -0.22 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.03 1n6j s LEU 54 CO 0.25 -0.07 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.63 1n6j s PHE 55 N 1.37 2.27 0.06 5.38 0.40 0.35 -5.01 117.98 122.80 1n6j s PHE 55 Ca 0.16 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1n6j s PHE 55 Cb -0.15 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1n6j s PHE 55 CO 0.08 -0.29 -0.04 1.14 0.70 0.00 0.00 175.22 176.80 1n6j s GLN 56 N 0.13 0.66 -0.06 0.44 -2.07 -1.26 -0.59 119.66 116.90 1n6j s GLN 56 Ca -0.10 -1.21 -0.07 0.00 -1.82 0.00 0.00 55.36 52.16 1n6j s GLN 56 Cb -0.15 0.06 0.02 0.00 -1.09 0.00 0.00 33.01 31.84 1n6j s GLN 56 CO 0.05 -0.07 0.19 -0.47 -1.32 0.00 0.00 175.29 173.67 1n6j s TYR 57 N -3.61 -0.18 -0.07 9.60 5.04 -0.13 -5.00 117.35 123.00 1n6j s TYR 57 Ca 0.07 0.43 -0.03 0.00 -2.44 0.00 0.00 57.07 55.10 1n6j s TYR 57 Cb 0.06 0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.46 1n6j s TYR 57 CO -0.08 -0.12 0.16 0.00 -1.34 0.00 0.00 175.55 174.17 1n6j s ALA 58 N -0.08 -0.32 0.19 3.97 0.00 -1.26 0.53 121.76 124.79 1n6j s ALA 58 Ca -0.02 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 1n6j s ALA 58 Cb -0.02 -0.47 0.14 0.00 0.00 0.00 0.00 23.12 22.77 1n6j s ALA 58 CO 0.00 -0.16 1.82 0.66 0.00 0.00 0.00 175.76 178.09 1n6j h SER 59 N 7.16 0.55 0.00 0.00 4.64 -0.98 -3.40 113.55 121.52 1n6j h SER 59 Ca -0.42 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1n6j h SER 59 Cb 1.15 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1n6j h SER 59 CO 0.42 0.38 0.00 0.35 -0.87 0.00 0.00 176.83 177.11 1n6j n THR 60 N -4.77 0.00 -3.69 2.95 -2.24 -1.26 -5.02 114.28 100.26 1n6j n THR 60 Ca 0.05 0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1n6j n THR 60 Cb 0.09 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 1n6j n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n6j s ASP 61 N -0.93 -0.51 0.20 3.42 2.15 -1.26 -5.07 116.67 114.66 1n6j s ASP 61 Ca 0.00 0.95 -0.11 0.00 0.43 0.00 0.00 52.55 53.82 1n6j s ASP 61 Cb 0.00 0.91 0.23 0.00 -0.30 0.00 0.00 42.92 43.76 1n6j s ASP 61 CO 0.00 -0.20 1.74 -0.03 -0.17 0.00 0.00 175.17 176.51 1n6j h MET 62 N 7.28 0.36 -0.52 4.34 1.85 -1.93 -1.29 114.93 125.02 1n6j h MET 62 Ca -0.33 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 58.83 1n6j h MET 62 Cb 1.17 -0.08 -0.08 0.00 0.43 0.00 0.00 31.60 33.05 1n6j h MET 62 CO 0.26 0.24 0.09 0.22 -0.40 0.00 0.00 176.91 177.31 1n6j h ASP 63 N 0.37 -0.04 0.13 1.39 1.82 -1.99 -0.22 116.42 117.89 1n6j h ASP 63 Ca 0.28 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1n6j h ASP 63 Cb 0.33 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 1n6j h ASP 63 CO -0.29 0.00 -0.13 -0.09 -1.61 0.00 0.00 179.24 177.12 1n6j h ARG 64 N 0.22 -0.28 -0.36 0.28 2.43 -1.70 -1.07 114.38 113.89 1n6j h ARG 64 Ca 0.26 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1n6j h ARG 64 Cb 0.37 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1n6j h ARG 64 CO -0.36 -0.19 0.13 0.28 -1.51 0.00 0.00 179.97 178.32 1n6j h VAL 65 N -0.29 1.20 -0.23 0.20 2.07 -0.79 -2.20 116.25 116.21 1n6j h VAL 65 Ca 0.01 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 1n6j h VAL 65 Cb 0.28 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1n6j h VAL 65 CO -0.04 0.22 -0.38 -0.07 0.02 0.00 0.00 177.57 177.32 1n6j h LEU 66 N 0.43 0.54 -0.35 2.57 3.38 -1.00 -1.56 115.31 119.31 1n6j h LEU 66 Ca 0.12 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1n6j h LEU 66 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1n6j h LEU 66 CO -0.01 0.87 0.23 -0.07 0.09 0.00 0.00 178.44 179.55 1n6j h LEU 67 N 0.43 0.40 -1.16 1.67 3.38 -1.11 -1.56 115.31 117.37 1n6j h LEU 67 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1n6j h LEU 67 Cb 0.86 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1n6j h LEU 67 CO 0.07 0.30 0.42 0.50 0.09 0.00 0.00 178.44 179.82 1n6j h LYS 68 N 0.47 1.00 -0.92 1.13 3.64 -1.20 -2.49 116.57 118.20 1n6j h LYS 68 Ca 0.13 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1n6j h LYS 68 Cb -0.04 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.52 1n6j h LYS 68 CO -0.03 0.72 0.60 -0.92 -2.27 0.00 0.00 179.45 177.55 1n6j h TYR 69 N 1.01 1.14 0.00 1.91 3.20 -0.33 -1.35 116.97 122.54 1n6j h TYR 69 Ca 0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1n6j h TYR 69 Cb -0.01 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 37.88 1n6j h TYR 69 CO 0.01 0.68 0.00 1.79 -1.64 0.00 0.00 178.16 179.00 1n6j h THR 70 N 1.20 0.00 0.00 1.81 1.35 -0.89 -1.87 112.91 114.51 1n6j h THR 70 Ca 0.35 -0.04 -0.04 0.00 -0.55 0.00 0.00 66.41 66.13 1n6j h THR 70 Cb -0.06 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 1n6j h THR 70 CO -0.10 0.00 -0.19 -0.33 -0.25 0.00 0.00 175.52 174.65 1n6j h GLU 71 N 0.00 0.00 -6.19 4.72 5.08 -1.27 -3.45 114.58 113.48 1n6j h GLU 71 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1n6j h GLU 71 Cb 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1n6j h GLU 71 CO 0.00 0.19 -0.04 0.71 -1.00 0.00 0.00 179.01 178.87 1n6j s TYR 72 N -3.27 3.78 0.08 4.33 1.51 -0.70 -4.98 117.35 118.11 1n6j s TYR 72 Ca 0.04 1.24 0.05 0.00 -1.01 0.00 0.00 57.07 57.40 1n6j s TYR 72 Cb 0.07 -2.51 -0.23 0.00 -0.11 0.00 0.00 41.96 39.19 1n6j s TYR 72 CO 0.67 0.54 1.15 0.66 -1.11 0.00 0.00 175.55 177.46 1n6j h SER 73 N 4.78 0.09 -4.82 2.29 4.64 -1.87 -3.48 113.55 115.17 1n6j h SER 73 Ca -0.49 -0.10 0.01 0.00 -0.47 0.00 0.00 61.79 60.74 1n6j h SER 73 Cb 1.21 -0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 63.11 1n6j h SER 73 CO 0.65 1.08 0.30 -1.83 -0.87 0.00 0.00 176.83 176.16 1n6j s GLU 74 N -2.68 1.04 0.57 4.77 -1.05 -1.26 -5.18 118.70 114.92 1n6j s GLU 74 Ca -0.01 -0.14 -0.09 0.00 -0.15 0.00 0.00 54.97 54.58 1n6j s GLU 74 Cb 0.09 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 1n6j s GLU 74 CO 0.83 -0.41 0.95 -1.25 0.95 0.00 0.00 175.26 176.33 1n6j s PRO 75 N -2.54 3.56 0.20 -4.83 0.04 -1.26 -4.97 135.00 125.21 1n6j s PRO 75 Ca -0.02 0.55 0.10 0.00 0.04 0.00 0.00 61.00 61.67 1n6j s PRO 75 Cb -0.01 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1n6j s PRO 75 CO -0.04 -0.45 1.40 1.25 0.04 0.00 0.00 177.00 179.20 1n6j h HIS 76 N -0.14 0.00 -3.15 0.56 2.76 -2.04 -3.44 115.15 109.70 1n6j h HIS 76 Ca -0.45 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.51 1n6j h HIS 76 Cb 1.20 0.00 -0.30 0.00 1.55 0.00 0.00 27.41 29.86 1n6j h HIS 76 CO 0.63 0.78 -0.53 -2.00 -1.30 0.00 0.00 177.93 175.51 1n6j s GLU 77 N -2.97 0.17 -0.08 5.26 2.12 -1.26 -5.14 118.70 116.80 1n6j s GLU 77 Ca 0.01 0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.76 1n6j s GLU 77 Cb 0.10 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.41 1n6j s GLU 77 CO 0.78 -0.14 -0.05 0.45 -0.54 0.00 0.00 175.26 175.77 1n6j s SER 78 N 1.02 1.67 0.16 -1.70 0.15 -1.26 -5.14 113.70 108.61 1n6j s SER 78 Ca -0.08 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.47 1n6j s SER 78 Cb -0.09 -0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 63.56 1n6j s SER 78 CO -0.06 -0.12 -0.18 -0.60 1.20 0.00 0.00 173.24 173.48 1n6j s ARG 79 N 1.54 1.27 0.17 5.44 6.06 -1.26 -5.09 118.95 127.08 1n6j s ARG 79 Ca -0.00 -1.40 -0.02 0.00 -2.50 0.00 0.00 55.73 51.81 1n6j s ARG 79 Cb -0.13 -1.32 -0.04 0.00 0.06 0.00 0.00 34.95 33.52 1n6j s ARG 79 CO -0.04 0.27 0.12 -0.08 -2.50 0.00 0.00 175.30 173.06 1n6j s THR 80 N -2.05 0.05 0.24 4.11 -1.32 -1.26 -5.02 115.64 110.38 1n6j s THR 80 Ca 0.16 -1.91 -0.06 0.00 -1.21 0.00 0.00 61.69 58.67 1n6j s THR 80 Cb -0.06 -2.26 0.22 0.00 -1.51 0.00 0.00 72.50 68.90 1n6j s THR 80 CO 0.06 -0.22 1.68 0.78 -2.21 0.00 0.00 174.62 174.72 1n6j h ASN 81 N 2.71 -0.04 -0.35 8.08 4.21 -2.01 -0.31 115.58 127.87 1n6j h ASN 81 Ca -0.35 0.15 0.08 0.00 1.21 0.00 0.00 56.30 57.38 1n6j h ASN 81 Cb 1.23 0.21 -0.08 0.00 -1.12 0.00 0.00 38.32 38.55 1n6j h ASN 81 CO 0.55 -0.05 -0.22 0.74 -1.29 0.00 0.00 177.43 177.16 1n6j h THR 82 N 0.24 0.40 -0.76 2.81 2.02 -1.99 0.25 112.91 115.89 1n6j h THR 82 Ca 0.39 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.60 1n6j h THR 82 Cb 0.66 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1n6j h THR 82 CO -0.51 0.00 0.49 0.44 0.37 0.00 0.00 175.52 176.31 1n6j h ASP 83 N -0.17 0.82 -0.39 4.18 3.32 -1.49 -1.56 116.42 121.14 1n6j h ASP 83 Ca 0.18 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 1n6j h ASP 83 Cb 0.44 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1n6j h ASP 83 CO -0.45 0.57 -0.24 0.40 -1.72 0.00 0.00 179.24 177.80 1n6j h ILE 84 N 0.97 1.28 -0.37 0.35 2.04 -0.58 -2.06 117.51 119.14 1n6j h ILE 84 Ca 0.30 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.78 1n6j h ILE 84 Cb -0.03 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1n6j h ILE 84 CO -0.10 0.47 0.21 0.25 0.00 0.00 0.00 178.15 178.98 1n6j h LEU 85 N 0.66 0.33 -0.63 1.44 6.46 -0.20 -1.22 115.31 122.15 1n6j h LEU 85 Ca 0.08 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1n6j h LEU 85 Cb 0.81 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.66 1n6j h LEU 85 CO 0.07 0.24 0.22 -0.33 -0.62 0.00 0.00 178.44 178.02 1n6j h GLU 86 N 0.43 0.96 -0.46 1.25 5.08 -1.24 0.50 114.58 121.10 1n6j h GLU 86 Ca 0.15 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1n6j h GLU 86 Cb 0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1n6j h GLU 86 CO -0.08 0.83 0.21 1.15 -1.00 0.00 0.00 179.01 180.13 1n6j h THR 87 N 0.89 1.16 -0.01 1.13 2.02 -1.02 0.26 112.91 117.34 1n6j h THR 87 Ca 0.21 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 1n6j h THR 87 Cb 0.26 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1n6j h THR 87 CO -0.01 0.19 -0.35 -0.07 0.37 0.00 0.00 175.52 175.65 1n6j h LEU 88 N 0.64 0.33 -0.81 2.58 3.38 -0.41 -2.58 115.31 118.44 1n6j h LEU 88 Ca 0.16 -0.75 0.06 0.00 0.09 0.00 0.00 57.88 57.44 1n6j h LEU 88 Cb 0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1n6j h LEU 88 CO -0.02 1.03 0.49 0.11 0.09 0.00 0.00 178.44 180.14 1n6j h LYS 89 N -0.35 0.87 0.36 1.13 1.79 0.28 -2.31 116.57 118.35 1n6j h LYS 89 Ca -0.04 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1n6j h LYS 89 Cb 1.08 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1n6j h LYS 89 CO 0.07 0.58 -0.26 -0.09 -1.08 0.00 0.00 179.45 178.67 1n6j h ARG 90 N 0.90 -0.59 0.00 3.15 2.43 -0.50 -2.09 114.38 117.68 1n6j h ARG 90 Ca 0.35 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1n6j h ARG 90 Cb 0.17 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1n6j h ARG 90 CO -0.17 -0.39 0.00 0.00 -1.51 0.00 0.00 179.97 177.90 1n6j h ARG 91 N -0.61 0.00 -0.11 0.20 3.08 -1.16 -2.18 114.38 113.60 1n6j h ARG 91 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1n6j h ARG 91 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1n6j h ARG 91 CO 0.01 0.00 -0.02 0.78 -1.07 0.00 0.00 179.97 179.67 1n6j h GLY 92 N 0.00 0.17 0.00 0.04 0.00 -0.82 -3.34 103.07 99.12 1n6j h GLY 92 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1n6j h GLY 92 CO 0.00 0.07 0.00 1.39 0.00 0.00 0.00 176.54 178.00 1n6j n ILE 93 N -4.42 0.00 0.00 2.60 -0.00 -0.82 -5.13 119.36 111.59 1n6j n ILE 93 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1n6j n ILE 93 Cb 0.16 -0.18 0.00 0.00 -0.00 0.00 0.00 39.64 39.62 1n6j n ILE 93 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16