#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1q s LYS 2 N 0.00 4.01 0.82 0.03 -0.14 -1.26 -5.01 119.74 118.19 1n1q s LYS 2 Ca 0.00 2.37 -0.06 0.00 -1.36 0.00 0.00 55.97 56.92 1n1q s LYS 2 Cb 0.00 -2.85 0.17 0.00 -1.68 0.00 0.00 37.83 33.46 1n1q s LYS 2 CO 0.00 -0.54 1.12 0.95 -0.76 0.00 0.00 175.35 176.13 1n1q s THR 3 N -1.18 2.03 0.11 2.17 -4.23 -1.26 -4.94 115.64 108.34 1n1q s THR 3 Ca 0.55 -0.41 -0.16 0.00 -1.18 0.00 0.00 61.69 60.49 1n1q s THR 3 Cb -0.42 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1n1q s THR 3 CO 0.56 0.00 1.55 0.77 -0.54 0.00 0.00 174.62 176.96 1n1q h SER 4 N -0.95 0.63 -0.67 3.99 4.64 -1.99 -2.25 113.55 116.96 1n1q h SER 4 Ca -0.38 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.61 1n1q h SER 4 Cb 1.25 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 1n1q h SER 4 CO 0.37 0.80 0.39 -0.29 -0.87 0.00 0.00 176.83 177.22 1n1q h ILE 5 N 0.45 1.20 0.00 0.95 2.10 -1.98 -0.66 117.51 119.56 1n1q h ILE 5 Ca 0.10 -0.47 -0.02 0.00 1.08 0.00 0.00 64.86 65.55 1n1q h ILE 5 Cb 0.49 0.26 -0.00 0.00 -1.09 0.00 0.00 36.82 36.47 1n1q h ILE 5 CO 0.02 0.21 -0.10 1.56 -1.08 0.00 0.00 178.15 178.77 1n1q h GLN 6 N 0.94 0.00 0.00 2.19 4.20 -1.82 -2.81 115.11 117.81 1n1q h GLN 6 Ca 0.24 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 1n1q h GLN 6 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1n1q h GLN 6 CO -0.04 0.10 -0.83 1.96 -0.67 0.00 0.00 178.83 179.35 1n1q h GLN 7 N 0.00 0.00 0.00 1.46 4.20 -0.54 -3.27 115.11 116.96 1n1q h GLN 7 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1n1q h GLN 7 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1n1q h GLN 7 CO 0.01 0.08 -0.20 1.25 -0.67 0.00 0.00 178.83 179.30 1n1q h LEU 8 N 0.00 0.00 -0.58 1.46 5.85 -1.08 -2.71 115.31 118.26 1n1q h LEU 8 Ca -0.02 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1n1q h LEU 8 Cb 1.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1n1q h LEU 8 CO 0.01 0.20 0.13 0.58 -0.34 0.00 0.00 178.44 179.02 1n1q h VAL 9 N 0.00 1.25 -0.52 1.05 2.07 -1.60 -2.44 116.25 116.06 1n1q h VAL 9 Ca -0.00 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1n1q h VAL 9 Cb 0.79 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1n1q h VAL 9 CO 0.03 0.34 0.29 0.00 0.02 0.00 0.00 177.57 178.24 1n1q h ALA 10 N 1.02 1.53 -0.35 1.67 0.00 -1.61 -0.01 119.26 121.51 1n1q h ALA 10 Ca 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1n1q h ALA 10 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1n1q h ALA 10 CO 0.00 0.40 -0.02 0.28 0.00 0.00 0.00 179.25 179.91 1n1q h VAL 11 N 0.72 1.26 -0.29 0.00 2.07 -1.45 -0.14 116.25 118.43 1n1q h VAL 11 Ca 0.19 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 1n1q h VAL 11 Cb 0.02 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1n1q h VAL 11 CO -0.03 0.33 -0.24 -0.07 0.02 0.00 0.00 177.57 177.59 1n1q h LEU 12 N 0.43 0.56 -0.15 2.57 3.38 -0.99 -2.07 115.31 119.04 1n1q h LEU 12 Ca 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1n1q h LEU 12 Cb 0.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1n1q h LEU 12 CO 0.02 0.79 0.04 -0.07 0.09 0.00 0.00 178.44 179.31 1n1q h LEU 13 N 0.49 0.23 -2.20 1.67 4.07 -0.82 -2.71 115.31 116.04 1n1q h LEU 13 Ca 0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1n1q h LEU 13 Cb 0.67 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1n1q h LEU 13 CO 0.05 0.40 -0.06 0.78 -1.08 0.00 0.00 178.44 178.54 1n1q h ASN 14 N 0.05 0.00 -0.50 -0.43 2.35 -0.79 -0.77 115.58 115.50 1n1q h ASN 14 Ca 0.05 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1n1q h ASN 14 Cb 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1n1q h ASN 14 CO 0.00 0.06 0.02 -0.09 -1.65 0.00 0.00 177.43 175.77 1n1q h ARG 15 N 0.00 0.92 0.00 0.81 1.12 -1.05 -0.05 114.38 116.12 1n1q h ARG 15 Ca -0.00 -0.26 -0.20 0.00 -1.11 0.00 0.00 59.98 58.42 1n1q h ARG 15 Cb 0.16 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 29.99 1n1q h ARG 15 CO 0.01 0.90 -0.93 1.96 -3.11 0.00 0.00 179.97 178.79 1n1q h GLN 16 N 0.86 0.00 -0.45 0.20 1.08 -1.10 -1.62 115.11 114.08 1n1q h GLN 16 Ca 0.16 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1n1q h GLN 16 Cb 0.47 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1n1q h GLN 16 CO 0.02 0.93 0.25 0.28 -0.95 0.00 0.00 178.83 179.36 1n1q h VAL 17 N 0.00 1.16 -0.49 -0.54 2.07 -0.77 0.24 116.25 117.92 1n1q h VAL 17 Ca -0.01 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1n1q h VAL 17 Cb 1.65 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1n1q h VAL 17 CO 0.12 0.17 0.20 0.00 0.02 0.00 0.00 177.57 178.08 1n1q h ALA 18 N 1.09 0.63 -0.35 1.67 0.00 -0.93 -1.24 119.26 120.13 1n1q h ALA 18 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n1q h ALA 18 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1n1q h ALA 18 CO -0.03 0.24 0.23 -0.91 0.00 0.00 0.00 179.25 178.78 1n1q h ASN 19 N 0.64 0.40 0.85 0.00 2.35 -0.86 -1.65 115.58 117.31 1n1q h ASN 19 Ca 0.16 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1n1q h ASN 19 Cb 0.19 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1n1q h ASN 19 CO -0.01 0.29 -0.34 -0.50 -1.65 0.00 0.00 177.43 175.22 1n1q h TRP 20 N 0.47 0.00 -0.36 1.19 4.06 -0.83 0.46 115.95 120.94 1n1q h TRP 20 Ca 0.13 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.92 1n1q h TRP 20 Cb -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.10 1n1q h TRP 20 CO -0.05 0.34 -0.40 0.28 -3.56 0.00 0.00 178.44 175.04 1n1q h VAL 21 N 0.00 1.27 -0.18 1.49 2.07 -0.90 0.53 116.25 120.54 1n1q h VAL 21 Ca -0.00 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 1n1q h VAL 21 Cb 0.86 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1n1q h VAL 21 CO 0.04 0.53 0.01 0.58 0.02 0.00 0.00 177.57 178.75 1n1q h VAL 22 N 0.72 1.24 -0.27 2.57 2.07 -0.97 -3.12 116.25 118.49 1n1q h VAL 22 Ca 0.05 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1n1q h VAL 22 Cb 1.00 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1n1q h VAL 22 CO 0.10 0.24 0.04 -0.07 0.02 0.00 0.00 177.57 177.90 1n1q h LEU 23 N 0.07 0.37 -0.77 2.57 3.38 -0.78 -0.63 115.31 119.52 1n1q h LEU 23 Ca 0.05 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1n1q h LEU 23 Cb 0.36 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1n1q h LEU 23 CO 0.01 0.40 0.44 0.22 0.09 0.00 0.00 178.44 179.60 1n1q h TYR 24 N 0.39 0.81 0.07 1.13 3.20 -0.82 0.17 116.97 121.93 1n1q h TYR 24 Ca 0.09 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.74 1n1q h TYR 24 Cb 0.21 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1n1q h TYR 24 CO 0.01 0.38 -1.14 0.28 -1.64 0.00 0.00 178.16 176.04 1n1q h VAL 25 N 0.79 1.59 -0.51 1.81 2.07 -1.45 -2.98 116.25 117.58 1n1q h VAL 25 Ca 0.35 -3.22 -0.07 0.00 0.82 0.00 0.00 66.70 64.58 1n1q h VAL 25 Cb 0.23 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1n1q h VAL 25 CO -0.20 0.93 0.04 0.50 0.02 0.00 0.00 177.57 178.86 1n1q h LYS 26 N 0.04 0.87 -0.09 1.57 3.64 -0.53 -0.06 116.57 122.02 1n1q h LYS 26 Ca -0.08 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1n1q h LYS 26 Cb 1.89 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1n1q h LYS 26 CO 0.17 0.88 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.81 1n1q h LEU 27 N 0.74 0.18 -0.48 5.20 3.38 -0.77 -1.51 115.31 122.05 1n1q h LEU 27 Ca 0.15 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1n1q h LEU 27 Cb 0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1n1q h LEU 27 CO 0.02 0.53 -0.18 0.45 0.09 0.00 0.00 178.44 179.35 1n1q h HIS 28 N 0.15 1.11 -0.18 1.13 3.86 -1.31 0.68 115.15 120.60 1n1q h HIS 28 Ca 0.02 -0.26 0.04 0.00 -1.16 0.00 0.00 60.37 59.01 1n1q h HIS 28 Cb 0.71 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.88 1n1q h HIS 28 CO 0.01 1.07 -0.11 -0.97 0.86 0.00 0.00 177.93 178.80 1n1q h ASN 29 N 0.82 -0.35 -0.53 2.45 -0.73 -0.25 0.13 115.58 117.12 1n1q h ASN 29 Ca 0.11 0.08 -0.10 0.00 1.87 0.00 0.00 56.30 58.26 1n1q h ASN 29 Cb 0.76 0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.51 1n1q h ASN 29 CO 0.06 -0.14 -0.06 -0.26 -0.37 0.00 0.00 177.43 176.66 1n1q h PHE 30 N -0.10 1.11 -0.72 0.67 0.05 -1.17 0.57 116.94 117.35 1n1q h PHE 30 Ca 0.10 -0.21 0.07 0.00 3.82 0.00 0.00 57.97 61.75 1n1q h PHE 30 Cb 0.25 -0.28 -0.06 0.00 2.00 0.00 0.00 35.95 37.86 1n1q h PHE 30 CO -0.25 1.01 0.41 1.25 -0.18 0.00 0.00 178.31 180.54 1n1q h HIS 31 N 0.91 0.75 0.04 -0.55 2.76 -0.21 -1.43 115.15 117.42 1n1q h HIS 31 Ca 0.15 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1n1q h HIS 31 Cb 0.61 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 29.35 1n1q h HIS 31 CO 0.04 0.35 -0.45 -1.49 -1.30 0.00 0.00 177.93 175.09 1n1q h TRP 32 N 0.74 0.37 -0.00 5.26 6.55 -0.48 -3.39 115.95 125.00 1n1q h TRP 32 Ca 0.33 -0.23 0.00 0.00 0.95 0.00 0.00 58.89 59.94 1n1q h TRP 32 Cb 0.22 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 1n1q h TRP 32 CO -0.07 1.10 -0.46 0.09 -1.05 0.00 0.00 178.44 178.06 1n1q n ASN 33 N -4.35 0.63 -4.74 -3.49 3.02 0.17 -4.94 115.26 101.55 1n1q n ASN 33 Ca -0.11 -0.41 -0.37 0.00 -0.03 0.00 0.00 54.58 53.66 1n1q n ASN 33 Cb 0.63 0.24 0.05 0.00 -0.61 0.00 0.00 39.78 40.09 1n1q n ASN 33 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1n1q s VAL 34 N -2.89 2.20 0.34 2.41 0.11 -0.54 -4.98 120.40 117.05 1n1q s VAL 34 Ca 0.14 0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 59.23 1n1q s VAL 34 Cb 0.18 -3.06 0.02 0.00 -1.53 0.00 0.00 36.38 31.99 1n1q s VAL 34 CO 0.66 -0.02 0.60 0.54 -3.33 0.00 0.00 175.10 173.56 1n1q s ASN 35 N -1.31 0.37 0.00 3.54 2.20 -1.26 -4.94 114.94 113.54 1n1q s ASN 35 Ca 0.78 -1.23 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 1n1q s ASN 35 Cb -0.37 0.72 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 1n1q s ASN 35 CO 0.40 -1.42 0.00 0.61 -2.94 0.00 0.00 177.10 173.76 1n1q n GLY 36 N -0.52 0.75 0.34 0.45 0.00 -1.26 -4.50 105.19 100.45 1n1q n GLY 36 Ca -0.03 -2.14 0.18 0.00 0.00 0.00 0.00 46.02 44.03 1n1q n GLY 36 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n1q h PRO 37 N 0.00 0.00 -0.61 1.61 0.11 -2.07 -0.80 132.00 130.24 1n1q h PRO 37 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1n1q h PRO 37 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1n1q h PRO 37 CO 0.00 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.88 1n1q n ASN 38 N -3.57 5.39 -0.04 -2.05 4.13 -1.26 -4.63 115.26 113.23 1n1q n ASN 38 Ca 0.01 -2.75 -0.09 0.00 1.68 0.00 0.00 54.58 53.42 1n1q n ASN 38 Cb 0.33 -0.65 -0.03 0.00 -1.54 0.00 0.00 39.78 37.89 1n1q n ASN 38 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1n1q h PHE 39 N 4.03 -0.82 -0.80 3.10 3.57 -1.37 -0.32 116.94 124.34 1n1q h PHE 39 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1n1q h PHE 39 Cb 1.79 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 40.89 1n1q h PHE 39 CO 0.98 -0.37 0.39 0.74 -2.23 0.00 0.00 178.31 177.82 1n1q h PHE 40 N -0.32 1.15 -0.09 0.41 -1.00 -1.84 0.42 116.94 115.66 1n1q h PHE 40 Ca 0.12 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 1n1q h PHE 40 Cb 0.52 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 39.72 1n1q h PHE 40 CO -0.43 0.84 0.01 1.15 -1.61 0.00 0.00 178.31 178.27 1n1q h THR 41 N 1.13 1.22 -0.20 -1.55 2.02 -1.81 -2.40 112.91 111.32 1n1q h THR 41 Ca 0.28 -0.70 -0.19 0.00 0.77 0.00 0.00 66.41 66.57 1n1q h THR 41 Cb 0.11 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1n1q h THR 41 CO -0.04 0.20 -0.63 -0.07 0.37 0.00 0.00 175.52 175.35 1n1q h LEU 42 N -0.09 0.79 -0.84 2.58 3.38 -0.97 -0.35 115.31 119.82 1n1q h LEU 42 Ca 0.03 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.63 1n1q h LEU 42 Cb 0.30 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1n1q h LEU 42 CO 0.00 1.23 0.49 -0.74 0.09 0.00 0.00 178.44 179.51 1n1q h HIS 43 N 0.51 0.89 -0.15 1.13 2.76 -0.16 0.77 115.15 120.91 1n1q h HIS 43 Ca -0.01 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.09 1n1q h HIS 43 Cb 1.22 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1n1q h HIS 43 CO 0.06 0.38 -0.30 1.49 -1.30 0.00 0.00 177.93 178.26 1n1q h GLU 44 N 0.83 0.47 -0.29 5.26 4.81 -1.28 -2.98 114.58 121.39 1n1q h GLU 44 Ca 0.40 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1n1q h GLU 44 Cb 0.34 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1n1q h GLU 44 CO -0.24 0.91 0.11 -0.22 -0.73 0.00 0.00 179.01 178.83 1n1q h LYS 45 N 0.08 0.23 -0.04 1.92 1.63 -0.32 -1.76 116.57 118.31 1n1q h LYS 45 Ca 0.01 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1n1q h LYS 45 Cb 0.89 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1n1q h LYS 45 CO 0.07 0.15 -0.12 0.74 -3.45 0.00 0.00 179.45 176.84 1n1q h PHE 46 N 0.24 0.06 -0.30 1.91 0.05 -0.93 -0.78 116.94 117.20 1n1q h PHE 46 Ca 0.13 -0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.80 1n1q h PHE 46 Cb 0.09 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.02 1n1q h PHE 46 CO -0.13 0.18 -0.28 1.49 -0.18 0.00 0.00 178.31 179.39 1n1q h GLU 47 N 0.06 0.71 -0.58 1.51 4.81 -1.24 -0.25 114.58 119.60 1n1q h GLU 47 Ca 0.01 -0.37 0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1n1q h GLU 47 Cb 0.25 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1n1q h GLU 47 CO 0.02 0.99 0.28 1.49 -0.73 0.00 0.00 179.01 181.06 1n1q h GLU 48 N 0.46 0.51 -0.35 1.92 4.81 -0.54 -0.29 114.58 121.11 1n1q h GLU 48 Ca 0.05 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 1n1q h GLU 48 Cb 0.85 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1n1q h GLU 48 CO 0.07 0.34 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.32 1n1q h LEU 49 N 0.53 0.86 -0.95 1.64 3.38 -0.98 -2.13 115.31 117.66 1n1q h LEU 49 Ca 0.27 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1n1q h LEU 49 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n1q h LEU 49 CO -0.21 1.14 -0.33 0.10 0.09 0.00 0.00 178.44 179.22 1n1q h TYR 50 N 0.60 0.00 -0.55 1.13 -0.00 -0.77 0.34 116.97 117.72 1n1q h TYR 50 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.68 1n1q h TYR 50 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.59 1n1q h TYR 50 CO 0.07 0.33 -0.07 1.15 -0.00 0.00 0.00 178.16 179.64 1n1q h THR 51 N 0.00 1.27 -0.43 -0.90 2.02 -0.92 0.13 112.91 114.08 1n1q h THR 51 Ca -0.00 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 65.84 1n1q h THR 51 Cb 0.87 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1n1q h THR 51 CO 0.04 0.43 -0.18 -0.33 0.37 0.00 0.00 175.52 175.86 1n1q h GLU 52 N 0.91 0.83 -0.46 6.66 5.08 -0.94 -2.70 114.58 123.95 1n1q h GLU 52 Ca 0.15 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1n1q h GLU 52 Cb 0.63 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1n1q h GLU 52 CO 0.04 0.94 0.23 0.00 -1.00 0.00 0.00 179.01 179.23 1n1q h ALA 53 N 1.06 0.58 -0.82 3.43 0.00 -0.27 -0.28 119.26 122.97 1n1q h ALA 53 Ca 0.11 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1n1q h ALA 53 Cb 0.70 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1n1q h ALA 53 CO 0.05 -0.12 0.54 1.03 0.00 0.00 0.00 179.25 180.75 1n1q h SER 54 N 0.46 0.78 -0.20 0.00 0.87 -0.76 -0.80 113.55 113.90 1n1q h SER 54 Ca 0.20 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.60 1n1q h SER 54 Cb 0.11 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1n1q h SER 54 CO -0.14 0.49 -0.50 1.23 -0.53 0.00 0.00 176.83 177.38 1n1q h GLY 55 N 0.88 0.85 0.98 5.77 0.00 -0.88 -3.06 103.07 107.62 1n1q h GLY 55 Ca 0.36 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1n1q h GLY 55 CO -0.13 0.85 0.04 0.45 0.00 0.00 0.00 176.54 177.75 1n1q h HIS 56 N 0.61 0.88 -0.26 5.60 3.86 -0.20 -2.08 115.15 123.56 1n1q h HIS 56 Ca 0.03 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 59.16 1n1q h HIS 56 Cb 1.08 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 29.25 1n1q h HIS 56 CO 0.06 0.82 -0.16 0.82 0.86 0.00 0.00 177.93 180.34 1n1q h ILE 57 N 0.68 0.55 -0.23 2.45 1.08 -1.17 0.56 117.51 121.43 1n1q h ILE 57 Ca 0.14 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1n1q h ILE 57 Cb 0.45 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1n1q h ILE 57 CO 0.02 0.00 -0.03 -0.78 -0.69 0.00 0.00 178.15 176.67 1n1q h ASP 58 N -0.13 0.42 -0.44 1.72 3.58 -1.46 -1.73 116.42 118.37 1n1q h ASP 58 Ca 0.14 -0.34 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 1n1q h ASP 58 Cb 0.35 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1n1q h ASP 58 CO -0.34 0.66 0.14 0.71 -2.88 0.00 0.00 179.24 177.52 1n1q h THR 59 N 0.17 1.22 -0.04 2.25 1.35 -1.18 -0.86 112.91 115.83 1n1q h THR 59 Ca 0.06 -0.73 -0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1n1q h THR 59 Cb 0.46 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1n1q h THR 59 CO 0.02 0.26 0.02 -0.07 -0.25 0.00 0.00 175.52 175.50 1n1q h LEU 60 N 0.58 0.05 -0.82 3.87 3.38 -0.90 -0.96 115.31 120.51 1n1q h LEU 60 Ca 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1n1q h LEU 60 Cb 0.26 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1n1q h LEU 60 CO -0.00 0.16 0.49 0.00 0.09 0.00 0.00 178.44 179.17 1n1q h ALA 61 N 0.89 1.05 0.00 1.53 0.00 -1.25 -1.77 119.26 119.71 1n1q h ALA 61 Ca 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1n1q h ALA 61 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1n1q h ALA 61 CO -0.00 0.53 -0.31 0.93 0.00 0.00 0.00 179.25 180.39 1n1q h GLU 62 N 1.13 0.00 -0.20 0.00 5.08 -1.03 -1.90 114.58 117.66 1n1q h GLU 62 Ca 0.29 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.48 1n1q h GLU 62 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1n1q h GLU 62 CO -0.05 0.31 -0.57 -0.09 -1.00 0.00 0.00 179.01 177.61 1n1q h ARG 63 N 0.00 0.64 -0.28 2.33 9.65 -0.63 -0.05 114.38 126.03 1n1q h ARG 63 Ca -0.00 -0.41 0.02 0.00 -1.10 0.00 0.00 59.98 58.48 1n1q h ARG 63 Cb 0.84 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.45 1n1q h ARG 63 CO 0.04 1.03 0.14 0.28 2.80 0.00 0.00 179.97 184.26 1n1q h VAL 64 N 0.48 0.98 -0.89 0.20 2.07 -0.77 -1.90 116.25 116.43 1n1q h VAL 64 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1n1q h VAL 64 Cb 1.14 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1n1q h VAL 64 CO 0.11 0.05 0.48 -0.07 0.02 0.00 0.00 177.57 178.16 1n1q h LEU 65 N 0.29 1.11 -2.26 2.57 3.38 -1.16 -0.01 115.31 119.23 1n1q h LEU 65 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n1q h LEU 65 Cb 0.04 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1n1q h LEU 65 CO -0.08 0.90 -0.01 0.28 0.09 0.00 0.00 178.44 179.61 1n1q h SER 66 N 1.24 0.00 -0.46 -0.43 0.02 -0.26 -2.04 113.55 111.63 1n1q h SER 66 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1n1q h SER 66 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1n1q h SER 66 CO -0.05 0.01 0.00 2.30 -1.14 0.00 0.00 176.83 177.95 1n1q n ILE 67 N -3.12 1.13 -0.32 3.27 -5.35 -0.81 -4.97 119.36 109.19 1n1q n ILE 67 Ca -0.01 -1.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.40 1n1q n ILE 67 Cb 0.18 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1n1q n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n1q n GLY 68 N 0.78 0.80 2.38 3.28 0.00 -0.77 -4.96 105.19 106.71 1n1q n GLY 68 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1n1q n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1q n GLY 69 N -2.25 2.01 3.16 -0.02 0.00 -0.06 -4.99 105.19 103.04 1n1q n GLY 69 Ca 0.00 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 1n1q n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n1q s SER 70 N -3.18 3.08 0.48 1.61 0.01 -1.26 -4.00 113.70 110.43 1n1q s SER 70 Ca 0.36 -0.60 -0.21 0.00 1.31 0.00 0.00 55.95 56.81 1n1q s SER 70 Cb -0.03 -1.43 -0.07 0.00 0.21 0.00 0.00 66.02 64.70 1n1q s SER 70 CO 0.23 0.07 1.10 -2.16 0.41 0.00 0.00 173.24 172.89 1n1q s PRO 71 N 0.85 3.72 0.03 12.44 0.04 -1.26 -4.97 135.00 145.83 1n1q s PRO 71 Ca -0.06 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1n1q s PRO 71 Cb -0.15 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 1n1q s PRO 71 CO -0.02 -0.54 1.43 0.42 0.04 0.00 0.00 177.00 178.33 1n1q s ILE 72 N -1.75 3.57 -0.29 0.56 1.01 -1.26 -4.89 121.20 118.14 1n1q s ILE 72 Ca 0.66 0.99 0.20 0.00 0.00 0.00 0.00 60.65 62.51 1n1q s ILE 72 Cb -0.23 -3.64 0.48 0.00 0.01 0.00 0.00 42.46 39.09 1n1q s ILE 72 CO 0.27 0.01 1.09 0.00 0.00 0.00 0.00 174.94 176.31 1n1q n ALA 73 N 5.18 2.86 -3.00 9.38 0.00 -1.26 -4.89 120.51 128.78 1n1q n ALA 73 Ca 0.13 -2.73 -0.11 0.00 0.00 0.00 0.00 53.44 50.73 1n1q n ALA 73 Cb 0.43 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1n1q n ALA 73 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n1q s THR 74 N -3.16 0.08 0.19 0.00 -4.23 -1.26 -5.05 115.64 102.21 1n1q s THR 74 Ca 0.26 -0.68 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1n1q s THR 74 Cb 0.38 -0.95 -0.07 0.00 1.34 0.00 0.00 72.50 73.20 1n1q s THR 74 CO -0.02 -0.38 1.48 -0.07 -0.54 0.00 0.00 174.62 175.10 1n1q h LEU 75 N 3.18 0.54 -0.21 4.79 3.38 -1.99 -2.25 115.31 122.75 1n1q h LEU 75 Ca -0.32 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.34 1n1q h LEU 75 Cb 1.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1n1q h LEU 75 CO 0.46 1.03 0.12 0.00 0.09 0.00 0.00 178.44 180.14 1n1q h ALA 76 N 0.97 0.26 -0.17 1.53 0.00 -1.99 -0.04 119.26 119.82 1n1q h ALA 76 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1n1q h ALA 76 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1n1q h ALA 76 CO 0.11 -0.28 -0.38 0.00 0.00 0.00 0.00 179.25 178.70 1n1q h ALA 77 N 1.09 1.04 -0.16 0.00 0.00 -1.97 -1.88 119.26 117.39 1n1q h ALA 77 Ca 0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1n1q h ALA 77 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n1q h ALA 77 CO -0.03 0.60 0.04 0.77 0.00 0.00 0.00 179.25 180.62 1n1q h SER 78 N 0.31 0.24 -0.83 0.00 0.02 -0.95 -1.17 113.55 111.17 1n1q h SER 78 Ca 0.03 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1n1q h SER 78 Cb 0.81 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1n1q h SER 78 CO 0.06 0.41 0.48 -0.07 -1.14 0.00 0.00 176.83 176.58 1n1q h LEU 79 N 0.05 1.01 -0.51 5.07 3.38 -0.94 0.12 115.31 123.50 1n1q h LEU 79 Ca 0.05 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1n1q h LEU 79 Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1n1q h LEU 79 CO 0.00 0.79 0.09 -0.08 0.09 0.00 0.00 178.44 179.33 1n1q h GLU 80 N 1.15 0.83 0.00 1.13 4.81 -1.10 -3.32 114.58 118.09 1n1q h GLU 80 Ca 0.30 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1n1q h GLU 80 Cb -0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1n1q h GLU 80 CO -0.05 0.82 -1.54 0.39 -0.73 0.00 0.00 179.01 177.90 1n1q n GLU 81 N -4.41 0.63 -1.98 1.92 -0.58 -0.46 -4.98 120.64 110.78 1n1q n GLU 81 Ca 0.01 0.04 -0.39 0.00 -0.42 0.00 0.00 57.16 56.40 1n1q n GLU 81 Cb 0.25 -1.70 0.01 0.00 -0.57 0.00 0.00 31.44 29.43 1n1q n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n1q s ALA 82 N -3.22 3.12 -0.83 0.62 0.00 0.38 -4.89 121.76 116.93 1n1q s ALA 82 Ca -0.04 1.25 0.22 0.00 0.00 0.00 0.00 51.96 53.38 1n1q s ALA 82 Cb 0.10 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 1n1q s ALA 82 CO 0.84 -0.98 0.88 -1.13 0.00 0.00 0.00 175.76 175.37 1n1q n SER 83 N -0.28 0.79 -4.73 0.00 3.41 -1.26 -4.90 113.62 106.65 1n1q n SER 83 Ca 0.06 -0.74 -0.40 0.00 -0.26 0.00 0.00 58.87 57.52 1n1q n SER 83 Cb 0.44 1.08 -0.05 0.00 -0.26 0.00 0.00 64.21 65.42 1n1q n SER 83 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1n1q s ILE 84 N -3.09 4.81 0.51 -1.33 1.01 -1.26 -5.06 121.20 116.79 1n1q s ILE 84 Ca 0.06 1.66 -0.05 0.00 0.00 0.00 0.00 60.65 62.31 1n1q s ILE 84 Cb 0.16 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1n1q s ILE 84 CO 0.86 0.31 0.82 -0.54 0.00 0.00 0.00 174.94 176.39 1n1q s LYS 85 N 0.26 3.41 0.54 2.79 -0.14 -1.26 -5.01 119.74 120.32 1n1q s LYS 85 Ca 0.40 0.17 -0.06 0.00 -1.36 0.00 0.00 55.97 55.12 1n1q s LYS 85 Cb -0.20 -2.34 -0.02 0.00 -1.68 0.00 0.00 37.83 33.59 1n1q s LYS 85 CO 0.23 -0.33 0.85 -1.21 -0.76 0.00 0.00 175.35 174.13 1n1q s GLU 86 N -4.81 3.25 0.80 1.68 2.02 -1.26 -4.96 118.70 115.41 1n1q s GLU 86 Ca 0.49 0.12 -0.13 0.00 0.02 0.00 0.00 54.97 55.47 1n1q s GLU 86 Cb -0.10 -2.32 0.08 0.00 0.10 0.00 0.00 34.13 31.89 1n1q s GLU 86 CO 0.45 -0.45 1.17 0.00 0.02 0.00 0.00 175.26 176.45 1n1q s ALA 87 N -2.87 1.93 0.03 5.21 0.00 -1.26 -4.95 121.76 119.85 1n1q s ALA 87 Ca 0.51 0.68 0.10 0.00 0.00 0.00 0.00 51.96 53.25 1n1q s ALA 87 Cb -0.10 -3.43 -0.22 0.00 0.00 0.00 0.00 23.12 19.37 1n1q s ALA 87 CO 0.45 -2.14 0.94 1.79 0.00 0.00 0.00 175.76 176.81 1n1q h THR 88 N -0.94 1.23 0.00 0.00 1.35 -2.01 -3.48 112.91 109.06 1n1q h THR 88 Ca -0.45 -3.02 0.00 0.00 -0.55 0.00 0.00 66.41 62.39 1n1q h THR 88 Cb 1.27 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 1n1q h THR 88 CO 0.47 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 177.05 1n1q n GLY 89 N 1.46 2.28 0.41 5.82 0.00 -1.26 -4.91 105.19 108.99 1n1q n GLY 89 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1n1q n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1q n GLY 90 N -1.46 4.11 3.77 -0.02 0.00 -1.26 -5.05 105.19 105.28 1n1q n GLY 90 Ca 0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1n1q n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n1q s GLU 91 N -2.40 4.31 0.76 1.61 8.01 -1.26 -5.02 118.70 124.71 1n1q s GLU 91 Ca 0.30 2.27 -0.10 0.00 0.01 0.00 0.00 54.97 57.45 1n1q s GLU 91 Cb 0.25 -3.06 0.06 0.00 -4.31 0.00 0.00 34.13 27.07 1n1q s GLU 91 CO 0.06 -0.25 1.12 -1.54 0.01 0.00 0.00 175.26 174.66 1n1q s SER 92 N -0.40 4.77 0.19 -0.19 1.04 -1.26 -4.80 113.70 113.05 1n1q s SER 92 Ca 0.50 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 1n1q s SER 92 Cb -0.41 -1.36 0.21 0.00 0.10 0.00 0.00 66.02 64.56 1n1q s SER 92 CO 0.54 -1.71 1.74 0.00 0.98 0.00 0.00 173.24 174.79 1n1q h ALA 93 N -0.85 0.64 -0.66 5.32 0.00 -1.94 -0.31 119.26 121.46 1n1q h ALA 93 Ca -0.45 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1n1q h ALA 93 Cb 1.31 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1n1q h ALA 93 CO 0.64 -0.23 0.16 0.00 0.00 0.00 0.00 179.25 179.82 1n1q h ALA 94 N 1.37 1.04 0.00 0.00 0.00 -1.93 -2.24 119.26 117.50 1n1q h ALA 94 Ca 0.26 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1n1q h ALA 94 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1n1q h ALA 94 CO -0.28 0.63 -0.37 0.93 0.00 0.00 0.00 179.25 180.16 1n1q h GLU 95 N 1.00 0.00 -0.03 0.00 5.08 -1.71 0.29 114.58 119.21 1n1q h GLU 95 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1n1q h GLU 95 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1n1q h GLU 95 CO 0.00 0.37 -0.00 0.52 -1.00 0.00 0.00 179.01 178.90 1n1q h MET 96 N 0.00 0.05 -0.24 2.33 2.86 -0.52 0.20 114.93 119.62 1n1q h MET 96 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1n1q h MET 96 Cb 0.69 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1n1q h MET 96 CO 0.05 0.36 0.15 0.28 1.06 0.00 0.00 176.91 178.81 1n1q h VAL 97 N -0.26 1.07 -0.71 -2.22 2.07 -1.17 -1.23 116.25 113.80 1n1q h VAL 97 Ca 0.01 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1n1q h VAL 97 Cb 0.34 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1n1q h VAL 97 CO 0.00 0.07 0.47 -1.28 0.02 0.00 0.00 177.57 176.86 1n1q h SER 98 N 0.32 0.78 -0.56 0.57 0.87 -0.88 -0.70 113.55 113.94 1n1q h SER 98 Ca 0.09 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1n1q h SER 98 Cb -0.02 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1n1q h SER 98 CO -0.02 0.56 -0.03 -1.28 -0.53 0.00 0.00 176.83 175.52 1n1q h SER 99 N 0.92 1.00 -0.34 6.23 0.87 0.05 -0.84 113.55 121.45 1n1q h SER 99 Ca 0.27 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 1n1q h SER 99 Cb -0.03 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 1n1q h SER 99 CO -0.07 1.08 -0.13 0.58 -0.53 0.00 0.00 176.83 177.76 1n1q h VAL 100 N 0.90 1.26 -0.28 2.23 2.07 -0.48 -0.35 116.25 121.59 1n1q h VAL 100 Ca 0.16 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1n1q h VAL 100 Cb 0.59 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1n1q h VAL 100 CO 0.04 0.41 0.15 0.58 0.02 0.00 0.00 177.57 178.77 1n1q h VAL 101 N 0.70 1.13 -0.33 2.57 2.07 -0.84 0.85 116.25 122.41 1n1q h VAL 101 Ca 0.11 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1n1q h VAL 101 Cb 0.62 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1n1q h VAL 101 CO 0.04 0.13 0.20 0.78 0.02 0.00 0.00 177.57 178.74 1n1q h ASN 102 N 0.34 0.39 -0.08 0.57 2.35 -0.84 -0.53 115.58 117.79 1n1q h ASN 102 Ca 0.10 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1n1q h ASN 102 Cb 0.08 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1n1q h ASN 102 CO -0.02 0.33 0.04 0.44 -1.65 0.00 0.00 177.43 176.57 1n1q h ASP 103 N 0.42 0.11 -0.76 5.81 3.32 -0.86 -1.26 116.42 123.20 1n1q h ASP 103 Ca 0.12 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1n1q h ASP 103 Cb 0.01 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1n1q h ASP 103 CO -0.02 0.21 0.44 -0.26 -1.72 0.00 0.00 179.24 177.89 1n1q h PHE 104 N -0.00 1.03 -0.73 4.55 0.05 -0.73 0.07 116.94 121.18 1n1q h PHE 104 Ca 0.03 -0.01 -0.06 0.00 3.82 0.00 0.00 57.97 61.74 1n1q h PHE 104 Cb 0.13 -0.33 -0.03 0.00 2.00 0.00 0.00 35.95 37.72 1n1q h PHE 104 CO -0.03 0.70 0.20 0.28 -0.18 0.00 0.00 178.31 179.28 1n1q h VAL 105 N 1.07 1.26 -0.26 -0.55 2.07 -0.87 0.11 116.25 119.08 1n1q h VAL 105 Ca 0.27 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1n1q h VAL 105 Cb -0.00 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1n1q h VAL 105 CO -0.05 0.37 0.06 -0.78 0.02 0.00 0.00 177.57 177.19 1n1q h ASP 106 N 1.09 0.40 -0.78 0.57 3.58 -0.47 -2.76 116.42 118.06 1n1q h ASP 106 Ca 0.23 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1n1q h ASP 106 Cb 0.34 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 1n1q h ASP 106 CO -0.00 0.53 0.48 -0.07 -2.88 0.00 0.00 179.24 177.30 1n1q h LEU 107 N 0.25 0.93 -0.76 2.28 3.38 -0.68 -1.27 115.31 119.44 1n1q h LEU 107 Ca 0.08 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1n1q h LEU 107 Cb 0.29 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1n1q h LEU 107 CO 0.00 0.71 0.50 0.58 0.09 0.00 0.00 178.44 180.32 1n1q h VAL 108 N 1.08 1.17 -0.41 1.22 2.07 -0.81 0.52 116.25 121.09 1n1q h VAL 108 Ca 0.28 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1n1q h VAL 108 Cb -0.05 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1n1q h VAL 108 CO -0.05 0.18 0.12 1.23 0.02 0.00 0.00 177.57 179.07 1n1q h GLY 109 N 1.01 0.69 1.51 2.17 0.00 -1.09 -1.76 103.07 105.59 1n1q h GLY 109 Ca 0.28 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1n1q h GLY 109 CO -0.07 0.39 -0.22 0.83 0.00 0.00 0.00 176.54 177.46 1n1q h GLU 110 N 0.52 0.57 -0.50 4.80 5.08 -0.66 -2.69 114.58 121.71 1n1q h GLU 110 Ca 0.13 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1n1q h GLU 110 Cb 0.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1n1q h GLU 110 CO -0.00 0.76 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.67 1n1q h LEU 111 N 0.51 0.82 -0.50 1.33 3.38 0.27 -0.88 115.31 120.24 1n1q h LEU 111 Ca 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1n1q h LEU 111 Cb 0.66 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1n1q h LEU 111 CO 0.05 0.90 0.22 0.11 0.09 0.00 0.00 178.44 179.81 1n1q h LYS 112 N 0.78 0.73 -0.28 1.13 1.57 -1.06 -0.51 116.57 118.94 1n1q h LYS 112 Ca 0.15 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1n1q h LYS 112 Cb 0.50 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1n1q h LYS 112 CO 0.03 0.63 0.09 0.28 -0.57 0.00 0.00 179.45 179.91 1n1q h VAL 113 N 0.66 1.20 -0.78 0.50 2.07 -1.20 -2.27 116.25 116.43 1n1q h VAL 113 Ca 0.17 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1n1q h VAL 113 Cb 0.15 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1n1q h VAL 113 CO -0.02 0.21 0.45 0.00 0.02 0.00 0.00 177.57 178.23 1n1q h ALA 114 N 0.92 0.99 -0.65 1.67 0.00 -1.00 -1.92 119.26 119.27 1n1q h ALA 114 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1n1q h ALA 114 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1n1q h ALA 114 CO -0.00 0.48 0.32 0.00 0.00 0.00 0.00 179.25 180.05 1n1q h ARG 115 N 1.07 0.94 -0.94 0.00 3.08 -0.99 0.61 114.38 118.15 1n1q h ARG 115 Ca 0.28 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1n1q h ARG 115 Cb -0.01 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 1n1q h ARG 115 CO -0.05 0.75 0.57 0.22 -1.07 0.00 0.00 179.97 180.38 1n1q h ASP 116 N 0.90 1.13 -0.41 7.04 1.82 -1.00 0.33 116.42 126.24 1n1q h ASP 116 Ca 0.22 -0.07 -0.15 0.00 -0.39 0.00 0.00 57.03 56.65 1n1q h ASP 116 Cb 0.11 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 1n1q h ASP 116 CO -0.03 0.87 -0.31 0.58 -1.61 0.00 0.00 179.24 178.74 1n1q h VAL 117 N 1.30 1.27 -0.47 2.25 2.07 -0.88 -1.61 116.25 120.18 1n1q h VAL 117 Ca 0.34 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 1n1q h VAL 117 Cb -0.05 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1n1q h VAL 117 CO -0.06 0.50 0.11 0.00 0.02 0.00 0.00 177.57 178.13 1n1q h ALA 118 N 0.80 0.62 -0.85 1.67 0.00 -0.31 -2.19 119.26 119.00 1n1q h ALA 118 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n1q h ALA 118 Cb 0.90 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1n1q h ALA 118 CO 0.08 0.32 0.54 -0.44 0.00 0.00 0.00 179.25 179.75 1n1q h ASP 119 N 0.64 0.99 0.74 0.00 3.32 -0.24 0.14 116.42 122.01 1n1q h ASP 119 Ca 0.15 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1n1q h ASP 119 Cb 0.34 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1n1q h ASP 119 CO 0.00 0.73 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.71 1n1q h GLU 120 N 1.15 0.00 -0.49 3.56 3.07 -0.96 -1.38 114.58 119.53 1n1q h GLU 120 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1n1q h GLU 120 Cb -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1n1q h GLU 120 CO -0.06 0.22 0.00 0.00 -1.40 0.00 0.00 179.01 177.76 1n1q n ALA 121 N -2.25 2.43 -3.29 3.43 0.00 -0.67 -4.90 120.51 115.25 1n1q n ALA 121 Ca -0.01 -0.86 -0.24 0.00 0.00 0.00 0.00 53.44 52.34 1n1q n ALA 121 Cb 0.38 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.91 1n1q n ALA 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n1q n ASP 122 N 0.93 -5.60 -3.74 0.00 8.00 -0.52 -4.82 116.55 110.80 1n1q n ASP 122 Ca 0.16 -0.41 -0.35 0.00 0.71 0.00 0.00 54.79 54.91 1n1q n ASP 122 Cb 0.42 -4.51 -0.04 0.00 -0.02 0.00 0.00 41.12 36.97 1n1q n ASP 122 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n1q n ASP 123 N -2.61 4.97 0.05 -2.24 -0.08 0.42 -4.86 116.55 112.19 1n1q n ASP 123 Ca -0.06 -3.40 0.01 0.00 -1.51 0.00 0.00 54.79 49.83 1n1q n ASP 123 Cb 0.58 -0.97 0.33 0.00 2.34 0.00 0.00 41.12 43.41 1n1q n ASP 123 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1n1q h GLU 124 N 4.90 0.40 -0.88 -0.67 4.57 -1.90 -2.51 114.58 118.49 1n1q h GLU 124 Ca 0.20 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1n1q h GLU 124 Cb 0.65 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1n1q h GLU 124 CO 1.06 0.48 0.47 0.00 -1.18 0.00 0.00 179.01 179.83 1n1q h ALA 125 N 1.56 1.17 -0.21 2.92 0.00 -1.95 0.15 119.26 122.89 1n1q h ALA 125 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1n1q h ALA 125 Cb 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1n1q h ALA 125 CO 0.02 0.66 -0.11 1.15 0.00 0.00 0.00 179.25 180.96 1n1q h THR 126 N 1.23 1.31 -0.69 0.00 2.02 -1.88 -2.51 112.91 112.39 1n1q h THR 126 Ca 0.31 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.35 1n1q h THR 126 Cb 0.05 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 1n1q h THR 126 CO -0.05 0.36 0.40 0.00 0.37 0.00 0.00 175.52 176.61 1n1q h ALA 127 N 0.70 0.93 -0.65 6.16 0.00 -1.03 -1.59 119.26 123.78 1n1q h ALA 127 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n1q h ALA 127 Cb 0.61 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1n1q h ALA 127 CO 0.03 0.11 0.30 0.22 0.00 0.00 0.00 179.25 179.91 1n1q h ASP 128 N 0.76 0.86 -0.53 0.00 3.58 -0.65 0.13 116.42 120.56 1n1q h ASP 128 Ca 0.30 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1n1q h ASP 128 Cb 0.14 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1n1q h ASP 128 CO -0.16 0.76 0.16 0.00 -2.88 0.00 0.00 179.24 177.13 1n1q h MET 129 N 0.90 0.83 -0.61 0.28 -0.00 -0.98 -1.64 114.93 113.71 1n1q h MET 129 Ca 0.22 -0.18 -0.04 0.00 -0.00 0.00 0.00 59.70 59.70 1n1q h MET 129 Cb 0.14 -0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 31.59 1n1q h MET 129 CO -0.03 0.77 0.21 -0.07 -0.00 0.00 0.00 176.91 177.79 1n1q h LEU 130 N 0.74 0.84 -0.69 -0.10 3.38 -1.01 -2.59 115.31 115.88 1n1q h LEU 130 Ca 0.17 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1n1q h LEU 130 Cb 0.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1n1q h LEU 130 CO -0.00 0.78 0.24 -0.78 0.09 0.00 0.00 178.44 178.76 1n1q h ASP 131 N 0.89 0.98 -0.82 -0.43 3.58 -0.55 -0.66 116.42 119.41 1n1q h ASP 131 Ca 0.20 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1n1q h ASP 131 Cb 0.23 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 1n1q h ASP 131 CO -0.01 0.91 0.44 0.00 -2.88 0.00 0.00 179.24 177.70 1n1q h ALA 132 N 1.11 1.23 -0.21 -0.78 0.00 -0.94 0.83 119.26 120.49 1n1q h ALA 132 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1n1q h ALA 132 Cb 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1n1q h ALA 132 CO -0.01 0.62 -0.04 0.82 0.00 0.00 0.00 179.25 180.64 1n1q h ILE 133 N 1.15 1.28 -0.34 0.00 5.03 -1.14 -2.84 117.51 120.66 1n1q h ILE 133 Ca 0.29 -1.01 0.05 0.00 -0.12 0.00 0.00 64.86 64.06 1n1q h ILE 133 Cb 0.04 1.51 -0.04 0.00 -3.03 0.00 0.00 36.82 35.30 1n1q h ILE 133 CO -0.05 0.31 0.09 -0.08 -0.68 0.00 0.00 178.15 177.74 1n1q h GLU 134 N 0.14 0.21 -0.89 2.37 4.81 -0.57 -1.73 114.58 118.92 1n1q h GLU 134 Ca 0.06 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1n1q h GLU 134 Cb 0.49 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1n1q h GLU 134 CO 0.02 0.14 0.57 0.00 -0.73 0.00 0.00 179.01 179.00 1n1q h ALA 135 N 1.24 1.19 -0.67 2.92 0.00 -0.84 -1.22 119.26 121.88 1n1q h ALA 135 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1n1q h ALA 135 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1n1q h ALA 135 CO -0.19 0.38 0.13 0.78 0.00 0.00 0.00 179.25 180.35 1n1q h GLY 136 N 1.07 1.18 1.04 0.00 0.00 -1.20 -2.64 103.07 102.53 1n1q h GLY 136 Ca 0.37 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1n1q h GLY 136 CO -0.14 0.71 0.06 1.41 0.00 0.00 0.00 176.54 178.58 1n1q h LEU 137 N 1.02 0.95 -1.35 3.11 3.38 -0.73 -1.68 115.31 120.00 1n1q h LEU 137 Ca 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1n1q h LEU 137 Cb 0.41 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1n1q h LEU 137 CO 0.01 0.99 0.30 -0.33 0.09 0.00 0.00 178.44 179.50 1n1q h GLU 138 N 0.87 0.74 -0.22 1.13 5.08 -1.10 0.22 114.58 121.30 1n1q h GLU 138 Ca 0.17 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1n1q h GLU 138 Cb 0.47 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1n1q h GLU 138 CO 0.02 0.54 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.05 1n1q h LYS 139 N 0.75 0.60 -0.89 2.33 3.64 -1.17 -2.68 116.57 119.14 1n1q h LYS 139 Ca 0.19 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1n1q h LYS 139 Cb 0.02 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1n1q h LYS 139 CO -0.03 0.95 0.49 0.45 -2.27 0.00 0.00 179.45 179.03 1n1q h HIS 140 N 0.29 1.23 -0.67 1.91 3.86 -0.71 -2.62 115.15 118.44 1n1q h HIS 140 Ca 0.03 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1n1q h HIS 140 Cb 0.88 -0.39 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1n1q h HIS 140 CO 0.08 0.85 0.43 0.28 0.86 0.00 0.00 177.93 180.43 1n1q h VAL 141 N 1.25 1.12 -0.19 2.45 2.07 -0.47 0.27 116.25 122.75 1n1q h VAL 141 Ca 0.31 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1n1q h VAL 141 Cb 0.03 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1n1q h VAL 141 CO -0.05 0.15 0.12 -0.25 0.02 0.00 0.00 177.57 177.56 1n1q h TRP 142 N 0.85 0.25 -0.35 1.57 7.01 -1.13 -1.58 115.95 122.56 1n1q h TRP 142 Ca 0.26 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 1n1q h TRP 142 Cb -0.03 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 1n1q h TRP 142 CO -0.04 0.18 0.18 0.52 -2.79 0.00 0.00 178.44 176.50 1n1q h MET 143 N 0.24 0.49 -0.49 2.65 2.86 -1.13 -1.33 114.93 118.23 1n1q h MET 143 Ca 0.07 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1n1q h MET 143 Cb 0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1n1q h MET 143 CO -0.01 0.42 -0.03 -0.07 1.06 0.00 0.00 176.91 178.28 1n1q h LEU 144 N 0.44 0.81 -0.58 1.22 3.38 -0.89 -1.64 115.31 118.04 1n1q h LEU 144 Ca 0.12 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1n1q h LEU 144 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1n1q h LEU 144 CO -0.02 0.89 -0.27 -0.33 0.09 0.00 0.00 178.44 178.80 1n1q h GLU 145 N 0.77 0.84 -0.75 1.13 5.08 -1.18 -2.58 114.58 117.89 1n1q h GLU 145 Ca 0.14 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1n1q h GLU 145 Cb 0.51 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1n1q h GLU 145 CO 0.03 1.01 0.43 0.00 -1.00 0.00 0.00 179.01 179.47 1n1q h ALA 146 N 0.97 0.96 -0.96 3.43 0.00 -0.91 -1.79 119.26 120.95 1n1q h ALA 146 Ca 0.09 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1n1q h ALA 146 Cb 0.82 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1n1q h ALA 146 CO 0.07 0.45 0.61 0.35 0.00 0.00 0.00 179.25 180.73 1n1q h PHE 147 N 1.03 1.12 0.00 0.00 3.57 -1.07 -2.23 116.94 119.36 1n1q h PHE 147 Ca 0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1n1q h PHE 147 Cb 0.01 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.39 1n1q h PHE 147 CO -0.00 0.54 0.00 -0.07 -2.23 0.00 0.00 178.31 176.55 1n1q h LEU 148 N 1.07 0.00 0.00 0.59 3.38 -0.96 -3.52 115.31 115.87 1n1q h LEU 148 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1n1q h LEU 148 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1n1q h LEU 148 CO -0.20 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.71