#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h6m s VAL 2 N 0.00 4.70 0.53 3.15 1.01 -1.26 -0.79 120.40 127.74 1h6m s VAL 2 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1h6m s VAL 2 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1h6m s VAL 2 CO 0.00 -0.25 1.09 -0.36 0.00 0.00 0.00 175.10 175.58 1h6m s PHE 3 N 1.58 2.81 0.66 5.22 0.40 -0.33 -4.99 117.98 123.32 1h6m s PHE 3 Ca 0.03 1.56 -0.11 0.00 -0.60 0.00 0.00 56.93 57.80 1h6m s PHE 3 Cb -0.19 -3.18 -0.02 0.00 0.51 0.00 0.00 43.02 40.14 1h6m s PHE 3 CO 0.07 -1.26 1.05 0.20 0.70 0.00 0.00 175.22 175.98 1h6m s GLY 4 N -1.93 1.65 0.09 4.36 0.00 -1.26 -4.84 107.32 105.38 1h6m s GLY 4 Ca 0.70 -0.14 -0.35 0.00 0.00 0.00 0.00 44.72 44.93 1h6m s GLY 4 CO 0.25 0.16 1.55 -0.09 0.00 0.00 0.00 173.10 174.97 1h6m h ARG 5 N -0.48 -0.92 -0.07 2.90 2.43 -1.97 -0.74 114.38 115.53 1h6m h ARG 5 Ca -0.44 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.74 1h6m h ARG 5 Cb 1.21 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1h6m h ARG 5 CO 0.62 -0.62 -0.18 0.00 -1.51 0.00 0.00 179.97 178.28 1h6m h GLU 7 N 0.10 0.99 -0.36 0.00 4.81 -1.89 -1.02 114.58 117.21 1h6m h GLU 7 Ca 0.02 -0.28 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 1h6m h GLU 7 Cb 0.38 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1h6m h GLU 7 CO 0.03 0.95 -0.42 1.25 -0.73 0.00 0.00 179.01 180.08 1h6m h LEU 8 N 0.89 0.98 -0.59 1.64 5.85 -0.89 -2.09 115.31 121.09 1h6m h LEU 8 Ca 0.18 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1h6m h LEU 8 Cb 0.45 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1h6m h LEU 8 CO 0.02 1.26 0.33 0.00 -0.34 0.00 0.00 178.44 179.71 1h6m h ALA 9 N 0.78 0.78 -0.62 1.25 0.00 -1.12 0.29 119.26 120.62 1h6m h ALA 9 Ca 0.05 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1h6m h ALA 9 Cb 1.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1h6m h ALA 9 CO 0.10 0.03 0.07 0.00 0.00 0.00 0.00 179.25 179.44 1h6m h ALA 10 N 1.29 0.83 -0.62 0.00 0.00 -1.05 -1.31 119.26 118.41 1h6m h ALA 10 Ca 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1h6m h ALA 10 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1h6m h ALA 10 CO -0.15 0.62 0.23 0.00 0.00 0.00 0.00 179.25 179.96 1h6m h ALA 11 N 1.01 0.81 -0.59 0.00 0.00 -0.86 -0.48 119.26 119.16 1h6m h ALA 11 Ca 0.18 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1h6m h ALA 11 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1h6m h ALA 11 CO 0.02 0.44 0.08 0.52 0.00 0.00 0.00 179.25 180.31 1h6m h MET 12 N 0.87 0.96 -0.45 0.00 2.86 -0.69 -1.63 114.93 116.84 1h6m h MET 12 Ca 0.20 -0.24 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1h6m h MET 12 Cb 0.23 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1h6m h MET 12 CO -0.01 0.89 -0.16 -0.22 1.06 0.00 0.00 176.91 178.47 1h6m h LYS 13 N 0.90 0.91 0.00 1.72 3.64 -1.01 -1.30 116.57 121.42 1h6m h LYS 13 Ca 0.18 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1h6m h LYS 13 Cb 0.41 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1h6m h LYS 13 CO 0.01 1.02 -0.27 -0.09 -2.27 0.00 0.00 179.45 177.86 1h6m h ARG 14 N 0.74 0.00 -0.69 1.90 2.43 -0.68 -1.58 114.38 116.51 1h6m h ARG 14 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1h6m h ARG 14 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1h6m h ARG 14 CO 0.05 0.27 0.00 0.72 -1.51 0.00 0.00 179.97 179.50 1h6m n HIS 15 N -4.02 1.07 -1.06 2.20 8.25 -0.65 -4.93 115.22 116.07 1h6m n HIS 15 Ca -0.02 -0.39 -0.02 0.00 -0.26 0.00 0.00 57.72 57.03 1h6m n HIS 15 Cb 0.34 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 1h6m n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h6m n GLY 16 N 0.53 0.55 0.19 -1.41 0.00 -0.59 -4.93 105.19 99.53 1h6m n GLY 16 Ca 0.16 -0.90 0.10 0.00 0.00 0.00 0.00 46.02 45.38 1h6m n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h6m h LEU 17 N 0.00 0.00 -9.24 0.99 3.38 -1.43 -3.39 115.31 105.62 1h6m h LEU 17 Ca -0.04 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.38 1h6m h LEU 17 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1h6m h LEU 17 CO 0.06 0.07 1.13 -0.62 0.09 0.00 0.00 178.44 179.18 1h6m s ASP 18 N -6.07 6.55 -0.46 -0.43 2.15 -1.26 -1.30 116.67 115.85 1h6m s ASP 18 Ca 0.05 2.23 0.00 0.00 0.43 0.00 0.00 52.55 55.26 1h6m s ASP 18 Cb 0.06 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1h6m s ASP 18 CO 0.71 -1.03 0.00 0.59 -0.17 0.00 0.00 175.17 175.27 1h6m n ASN 19 N 7.54 -4.87 -4.71 -0.34 5.03 0.04 -4.88 115.26 113.06 1h6m n ASN 19 Ca 0.18 0.11 -0.42 0.00 0.87 0.00 0.00 54.58 55.32 1h6m n ASN 19 Cb 0.43 -2.75 -0.03 0.00 -1.02 0.00 0.00 39.78 36.41 1h6m n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1h6m s TYR 20 N -1.71 2.80 -1.07 3.10 5.04 -0.42 -0.70 117.35 124.39 1h6m s TYR 20 Ca 0.00 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 1h6m s TYR 20 Cb 0.00 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.30 1h6m s TYR 20 CO 0.00 -3.89 0.00 0.54 -1.34 0.00 0.00 175.55 170.86 1h6m n ARG 21 N 4.47 -1.95 -0.60 4.97 5.12 -1.26 -1.71 116.66 125.70 1h6m n ARG 21 Ca 0.15 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 1h6m n ARG 21 Cb 0.38 -5.08 0.00 0.00 -1.16 0.00 0.00 32.46 26.60 1h6m n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h6m n GLY 22 N -0.61 0.75 3.49 -0.13 0.00 0.12 -5.02 105.19 103.80 1h6m n GLY 22 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1h6m n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h6m s TYR 23 N -2.61 3.19 0.77 1.61 2.02 -0.69 -4.88 117.35 116.76 1h6m s TYR 23 Ca 0.00 -0.33 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1h6m s TYR 23 Cb 0.00 -2.77 0.05 0.00 -0.40 0.00 0.00 41.96 38.84 1h6m s TYR 23 CO 0.00 -0.61 1.13 -1.13 -1.57 0.00 0.00 175.55 173.37 1h6m n SER 24 N 5.45 0.94 -0.33 2.29 3.41 -1.26 -0.78 113.62 123.34 1h6m n SER 24 Ca -0.09 0.63 0.15 0.00 -0.26 0.00 0.00 58.87 59.31 1h6m n SER 24 Cb 0.48 -1.48 0.35 0.00 -0.26 0.00 0.00 64.21 63.30 1h6m n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1h6m h LEU 25 N -0.55 0.54 -1.84 1.04 5.85 -1.90 -0.49 115.31 117.96 1h6m h LEU 25 Ca -0.47 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 1h6m h LEU 25 Cb 1.31 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1h6m h LEU 25 CO 0.47 0.07 -0.14 1.23 -0.34 0.00 0.00 178.44 179.73 1h6m h GLY 26 N 0.52 0.00 1.01 3.75 0.00 -1.91 -1.57 103.07 104.86 1h6m h GLY 26 Ca 0.61 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.94 1h6m h GLY 26 CO -0.49 0.00 0.42 3.43 0.00 0.00 0.00 176.54 179.90 1h6m h ASN 27 N 0.00 0.73 -0.34 0.19 2.35 -1.31 0.07 115.58 117.28 1h6m h ASN 27 Ca -0.00 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1h6m h ASN 27 Cb 0.30 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1h6m h ASN 27 CO 0.02 0.54 -0.12 -0.50 -1.65 0.00 0.00 177.43 175.72 1h6m h TRP 28 N 0.86 0.77 -0.47 1.19 4.06 -1.39 -1.34 115.95 119.62 1h6m h TRP 28 Ca 0.23 -0.18 -0.04 0.00 2.06 0.00 0.00 58.89 60.97 1h6m h TRP 28 Cb -0.09 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 27.86 1h6m h TRP 28 CO -0.03 0.86 0.14 0.28 -3.56 0.00 0.00 178.44 176.14 1h6m h VAL 29 N 0.45 1.23 -0.47 1.49 2.07 -1.19 -1.08 116.25 118.74 1h6m h VAL 29 Ca 0.08 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1h6m h VAL 29 Cb 0.64 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1h6m h VAL 29 CO 0.04 0.28 0.30 0.00 0.02 0.00 0.00 177.57 178.21 1h6m h ALA 31 N 1.15 1.05 -0.62 0.00 0.00 -1.03 -2.42 119.26 117.40 1h6m h ALA 31 Ca 0.17 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1h6m h ALA 31 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1h6m h ALA 31 CO -0.03 0.65 0.04 0.00 0.00 0.00 0.00 179.25 179.91 1h6m h ALA 32 N 1.18 0.90 0.25 0.00 0.00 -0.88 -2.20 119.26 118.52 1h6m h ALA 32 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1h6m h ALA 32 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1h6m h ALA 32 CO -0.01 0.66 -0.16 -0.22 0.00 0.00 0.00 179.25 179.52 1h6m h LYS 33 N 0.97 -0.39 0.00 0.00 1.63 -0.54 -1.57 116.57 116.68 1h6m h LYS 33 Ca 0.18 0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 1h6m h LYS 33 Cb 0.50 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1h6m h LYS 33 CO 0.02 -0.26 -0.43 0.74 -3.45 0.00 0.00 179.45 176.07 1h6m h PHE 34 N -0.40 0.00 0.11 1.91 0.04 -1.45 0.25 116.94 117.40 1h6m h PHE 34 Ca -0.02 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.45 1h6m h PHE 34 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1h6m h PHE 34 CO -0.10 0.43 -1.54 1.96 -0.60 0.00 0.00 178.31 178.47 1h6m h GLN 35 N 0.00 0.22 0.00 1.51 1.08 -1.33 -3.42 115.11 113.18 1h6m h GLN 35 Ca -0.00 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1h6m h GLN 35 Cb 1.02 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1h6m h GLN 35 CO 0.06 1.07 0.00 -1.13 -0.95 0.00 0.00 178.83 177.88 1h6m n SER 36 N -3.42 0.18 -2.72 1.46 3.41 -0.60 -4.88 113.62 107.04 1h6m n SER 36 Ca -0.16 -0.64 -0.21 0.00 -0.26 0.00 0.00 58.87 57.60 1h6m n SER 36 Cb 1.04 0.14 0.01 0.00 -0.26 0.00 0.00 64.21 65.14 1h6m n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1h6m n ASN 37 N -0.14 -5.65 -0.91 4.04 5.15 0.08 -1.62 115.26 116.21 1h6m n ASN 37 Ca 0.00 -0.13 -0.12 0.00 -0.60 0.00 0.00 54.58 53.73 1h6m n ASN 37 Cb 0.10 -4.65 -0.05 0.00 -0.53 0.00 0.00 39.78 34.65 1h6m n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1h6m n PHE 38 N -4.15 0.00 -3.36 1.20 3.72 -1.22 -4.83 117.46 108.83 1h6m n PHE 38 Ca -0.17 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.82 1h6m n PHE 38 Cb 0.64 -2.22 -0.09 0.00 -0.94 0.00 0.00 39.48 36.87 1h6m n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1h6m s ASN 39 N -2.83 6.21 0.59 4.37 3.84 -0.64 -1.18 114.94 125.30 1h6m s ASN 39 Ca 0.00 -0.21 0.36 0.00 0.21 0.00 0.00 52.86 53.23 1h6m s ASN 39 Cb 0.00 -2.21 1.77 0.00 -0.55 0.00 0.00 41.25 40.26 1h6m s ASN 39 CO 0.00 -0.38 2.15 0.71 -2.79 0.00 0.00 177.10 176.78 1h6m h THR 40 N 5.56 0.13 -0.23 -5.21 1.35 -1.27 -2.72 112.91 110.54 1h6m h THR 40 Ca -0.29 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1h6m h THR 40 Cb 1.14 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1h6m h THR 40 CO 0.72 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 176.02 1h6m n GLN 41 N -3.21 1.84 -1.82 4.72 6.02 -1.26 -3.97 117.38 119.70 1h6m n GLN 41 Ca -0.01 -1.27 -0.42 0.00 -0.01 0.00 0.00 57.00 55.29 1h6m n GLN 41 Cb 0.21 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 1h6m n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h6m s ALA 42 N -1.71 3.81 0.01 -1.58 0.00 -1.02 -4.81 121.76 116.47 1h6m s ALA 42 Ca 0.32 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.80 1h6m s ALA 42 Cb 0.17 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1h6m s ALA 42 CO 0.25 -0.89 -0.06 0.95 0.00 0.00 0.00 175.76 176.01 1h6m s THR 43 N 0.66 0.42 -0.14 0.00 -4.23 -1.26 -0.77 115.64 110.33 1h6m s THR 43 Ca 0.68 -0.57 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1h6m s THR 43 Cb -0.47 -0.42 0.06 0.00 1.34 0.00 0.00 72.50 73.01 1h6m s THR 43 CO 0.38 -0.11 0.32 0.20 -0.54 0.00 0.00 174.62 174.87 1h6m s ASN 44 N -0.73 -0.30 0.26 3.99 0.01 -0.80 -4.98 114.94 112.38 1h6m s ASN 44 Ca -0.04 0.70 -0.30 0.00 -0.71 0.00 0.00 52.86 52.52 1h6m s ASN 44 Cb -0.05 0.64 -0.09 0.00 0.41 0.00 0.00 41.25 42.15 1h6m s ASN 44 CO -0.00 -0.19 1.11 -0.60 -1.51 0.00 0.00 177.10 175.91 1h6m s ARG 45 N 1.51 4.62 0.18 -0.60 6.06 -1.26 -1.03 118.95 128.43 1h6m s ARG 45 Ca -0.08 1.80 -0.01 0.00 -2.50 0.00 0.00 55.73 54.94 1h6m s ARG 45 Cb -0.10 -3.21 -0.04 0.00 0.06 0.00 0.00 34.95 31.66 1h6m s ARG 45 CO -0.10 0.16 0.36 1.21 -2.50 0.00 0.00 175.30 174.43 1h6m s ASN 46 N -0.67 6.39 0.56 -2.12 3.84 -0.11 -4.96 114.94 117.88 1h6m s ASN 46 Ca 0.46 0.38 0.25 0.00 0.21 0.00 0.00 52.86 54.16 1h6m s ASN 46 Cb -0.32 -2.00 1.50 0.00 -0.55 0.00 0.00 41.25 39.89 1h6m s ASN 46 CO 0.40 -0.01 2.08 0.71 -2.79 0.00 0.00 177.10 177.49 1h6m h THR 47 N 1.63 0.66 -0.02 -5.21 1.35 -1.98 -0.52 112.91 108.83 1h6m h THR 47 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1h6m h THR 47 Cb 1.19 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1h6m h THR 47 CO 0.69 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 1h6m n ASP 48 N -4.13 0.55 0.00 5.36 5.68 -1.26 -4.90 116.55 117.85 1h6m n ASP 48 Ca 0.03 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 1h6m n ASP 48 Cb 0.35 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1h6m n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h6m n GLY 49 N 1.01 0.48 3.89 6.12 0.00 -0.20 -4.99 105.19 111.51 1h6m n GLY 49 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1h6m n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h6m s SER 50 N -2.41 3.73 0.03 1.61 1.04 -1.26 -4.75 113.70 111.69 1h6m s SER 50 Ca 0.00 0.58 0.02 0.00 0.48 0.00 0.00 55.95 57.03 1h6m s SER 50 Cb 0.00 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.22 1h6m s SER 50 CO 0.00 -2.38 -0.08 -0.89 0.98 0.00 0.00 173.24 170.88 1h6m s THR 51 N -3.66 0.57 -0.11 2.02 2.01 -1.26 -0.93 115.64 114.28 1h6m s THR 51 Ca 0.67 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 1h6m s THR 51 Cb -0.08 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1h6m s THR 51 CO 0.51 -0.17 0.19 -1.81 -0.69 0.00 0.00 174.62 172.65 1h6m s ASP 52 N -1.05 6.45 -0.06 3.53 1.01 -0.19 -1.41 116.67 124.95 1h6m s ASP 52 Ca -0.05 0.54 0.02 0.00 0.71 0.00 0.00 52.55 53.77 1h6m s ASP 52 Cb -0.07 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.77 1h6m s ASP 52 CO 0.00 0.38 -0.11 -0.31 0.21 0.00 0.00 175.17 175.35 1h6m s TYR 53 N -0.94 1.28 0.00 4.23 1.51 0.13 -1.91 117.35 121.65 1h6m s TYR 53 Ca 0.16 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1h6m s TYR 53 Cb -0.13 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1h6m s TYR 53 CO 0.05 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.67 1h6m n GLY 54 N 3.77 -2.02 0.29 0.71 0.00 0.06 -1.80 105.19 106.19 1h6m n GLY 54 Ca -0.23 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.15 1h6m n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h6m h ILE 55 N 0.00 1.02 -0.35 -0.61 6.09 -1.73 -1.52 117.51 120.41 1h6m h ILE 55 Ca 0.00 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 1h6m h ILE 55 Cb 0.00 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.05 1h6m h ILE 55 CO 0.00 0.04 0.00 0.18 -3.07 0.00 0.00 178.15 175.30 1h6m n LEU 56 N -4.50 2.94 -3.65 2.19 4.77 -1.26 -4.17 117.00 113.32 1h6m n LEU 56 Ca 0.01 -1.98 -0.21 0.00 -0.03 0.00 0.00 56.01 53.80 1h6m n LEU 56 Cb 0.12 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1h6m n LEU 56 CO 0.35 0.73 -0.04 0.00 -1.33 0.00 0.00 177.39 177.10 1h6m n GLN 57 N 0.56 -4.98 -2.61 3.23 1.13 -0.57 -4.90 117.38 109.23 1h6m n GLN 57 Ca 0.12 0.65 -0.41 0.00 -1.94 0.00 0.00 57.00 55.42 1h6m n GLN 57 Cb 0.43 -5.26 -0.04 0.00 0.11 0.00 0.00 30.24 25.48 1h6m n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1h6m s ILE 58 N -3.62 4.21 -0.10 5.09 1.01 -0.75 -4.38 121.20 122.68 1h6m s ILE 58 Ca 0.02 1.82 -0.13 0.00 0.00 0.00 0.00 60.65 62.36 1h6m s ILE 58 Cb -0.01 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1h6m s ILE 58 CO 0.80 0.27 0.32 0.21 0.00 0.00 0.00 174.94 176.54 1h6m s ASN 59 N 0.11 6.57 0.18 3.58 3.84 -1.26 -0.69 114.94 127.28 1h6m s ASN 59 Ca 0.49 0.68 0.21 0.00 0.21 0.00 0.00 52.86 54.45 1h6m s ASN 59 Cb -0.26 -2.20 0.87 0.00 -0.55 0.00 0.00 41.25 39.11 1h6m s ASN 59 CO 0.32 0.21 1.63 -1.54 -2.79 0.00 0.00 177.10 174.93 1h6m n SER 60 N 2.75 0.46 -0.13 -4.21 3.41 -0.50 -1.73 113.62 113.67 1h6m n SER 60 Ca -0.13 0.62 -0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1h6m n SER 60 Cb 0.52 -0.72 0.26 0.00 -0.26 0.00 0.00 64.21 64.02 1h6m n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1h6m h ARG 61 N 0.00 0.82 0.00 4.33 9.65 -1.83 -3.38 114.38 123.97 1h6m h ARG 61 Ca 0.00 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1h6m h ARG 61 Cb 0.31 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1h6m h ARG 61 CO 0.00 0.63 -0.75 0.91 2.80 0.00 0.00 179.97 183.56 1h6m n TRP 62 N -4.37 0.00 -0.02 2.20 7.02 -1.19 -1.28 117.44 119.81 1h6m n TRP 62 Ca 0.05 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.55 1h6m n TRP 62 Cb 0.12 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.93 1h6m n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1h6m n TRP 63 N -1.55 0.00 -3.98 -5.99 7.02 -0.71 -0.55 117.44 111.68 1h6m n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1h6m n TRP 63 Cb 0.32 -0.34 -0.09 0.00 -2.42 0.00 0.00 31.31 28.79 1h6m n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1h6m s ASN 65 N -2.89 6.17 0.00 0.00 2.47 -0.25 -4.57 114.94 115.86 1h6m s ASN 65 Ca 0.06 0.18 0.01 0.00 0.42 0.00 0.00 52.86 53.53 1h6m s ASN 65 Cb 0.06 -2.13 0.02 0.00 -1.45 0.00 0.00 41.25 37.76 1h6m s ASN 65 CO -0.10 0.03 0.83 -0.90 -3.72 0.00 0.00 177.10 173.24 1h6m n ASP 66 N 4.37 1.69 0.00 -4.21 5.68 -1.26 -0.66 116.55 122.17 1h6m n ASP 66 Ca -0.14 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1h6m n ASP 66 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1h6m n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h6m n GLY 67 N -0.22 0.41 1.20 6.12 0.00 -1.26 -4.77 105.19 106.67 1h6m n GLY 67 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1h6m n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1h6m n ARG 68 N -1.62 0.02 -3.89 1.61 1.85 -1.26 -4.98 116.66 108.39 1h6m n ARG 68 Ca 0.00 -1.73 -0.30 0.00 -1.00 0.00 0.00 57.85 54.83 1h6m n ARG 68 Cb 0.10 -0.16 -0.13 0.00 -1.05 0.00 0.00 32.46 31.21 1h6m n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1h6m s THR 69 N -0.04 2.38 0.16 8.89 2.01 -1.26 -4.86 115.64 122.92 1h6m s THR 69 Ca 0.24 -3.31 -0.33 0.00 0.31 0.00 0.00 61.69 58.59 1h6m s THR 69 Cb 0.28 -2.64 -0.13 0.00 0.01 0.00 0.00 72.50 70.02 1h6m s THR 69 CO -0.12 -0.86 1.63 -2.65 -0.69 0.00 0.00 174.62 171.93 1h6m n PRO 70 N 3.01 2.31 -0.53 4.92 -0.02 -1.26 -2.08 135.00 141.35 1h6m n PRO 70 Ca 0.08 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1h6m n PRO 70 Cb 0.33 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1h6m n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h6m n GLY 71 N 3.59 0.76 3.91 -1.23 0.00 -1.26 -5.02 105.19 105.95 1h6m n GLY 71 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1h6m n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h6m s SER 72 N -2.87 4.49 0.50 1.61 1.04 -0.88 -5.07 113.70 112.51 1h6m s SER 72 Ca 0.00 0.63 0.04 0.00 0.48 0.00 0.00 55.95 57.11 1h6m s SER 72 Cb 0.00 -1.14 -0.01 0.00 0.10 0.00 0.00 66.02 64.98 1h6m s SER 72 CO 0.00 -1.88 0.20 -0.13 0.98 0.00 0.00 173.24 172.41 1h6m s ARG 73 N -5.50 2.22 -0.38 4.02 0.52 -0.40 -4.99 118.95 114.43 1h6m s ARG 73 Ca 0.62 -2.11 0.10 0.00 -0.52 0.00 0.00 55.73 53.82 1h6m s ARG 73 Cb -0.10 -1.86 0.29 0.00 0.52 0.00 0.00 34.95 33.80 1h6m s ARG 73 CO 0.48 -0.39 0.61 -1.71 0.02 0.00 0.00 175.30 174.31 1h6m n ASN 74 N -1.44 0.43 0.29 0.23 5.15 -1.17 -3.67 115.26 115.08 1h6m n ASN 74 Ca -0.08 -2.83 0.18 0.00 -0.60 0.00 0.00 54.58 51.26 1h6m n ASN 74 Cb 0.65 -0.61 0.79 0.00 -0.53 0.00 0.00 39.78 40.08 1h6m n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1h6m h LEU 75 N 3.58 0.00 -1.02 1.20 4.07 -0.85 -0.67 115.31 121.62 1h6m h LEU 75 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1h6m h LEU 75 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1h6m h LEU 75 CO 0.48 0.00 -0.09 0.00 -1.08 0.00 0.00 178.44 177.74 1h6m n ASN 77 N 0.16 -2.95 -3.84 0.00 5.15 -0.26 -4.99 115.26 108.53 1h6m n ASN 77 Ca 0.16 -0.89 -0.10 0.00 -0.60 0.00 0.00 54.58 53.15 1h6m n ASN 77 Cb 0.40 -3.85 -0.08 0.00 -0.53 0.00 0.00 39.78 35.72 1h6m n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1h6m s ILE 78 N -3.61 0.11 0.29 -1.44 -4.36 -1.26 -5.07 121.20 105.86 1h6m s ILE 78 Ca 0.20 -0.94 -0.29 0.00 -0.26 0.00 0.00 60.65 59.36 1h6m s ILE 78 Cb -0.06 -1.00 -0.10 0.00 1.25 0.00 0.00 42.46 42.56 1h6m s ILE 78 CO 0.83 -0.52 1.10 -2.16 0.24 0.00 0.00 174.94 174.43 1h6m s PRO 79 N -2.82 4.60 0.54 0.37 0.04 -1.26 -1.09 135.00 135.37 1h6m s PRO 79 Ca -0.03 1.80 0.22 0.00 0.04 0.00 0.00 61.00 63.03 1h6m s PRO 79 Cb 0.00 -3.15 1.41 0.00 0.04 0.00 0.00 34.50 32.80 1h6m s PRO 79 CO -0.05 0.18 2.11 0.00 0.04 0.00 0.00 177.00 179.28 1h6m h SER 81 N 0.00 0.00 0.09 0.00 4.64 -1.91 -0.54 113.55 115.84 1h6m h SER 81 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1h6m h SER 81 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1h6m h SER 81 CO -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 1h6m h ALA 82 N 1.77 1.36 0.00 5.18 0.00 -1.52 -1.35 119.26 124.70 1h6m h ALA 82 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1h6m h ALA 82 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1h6m h ALA 82 CO -0.00 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1h6m n LEU 83 N -3.64 0.00 -0.58 0.00 4.77 -0.21 -3.28 117.00 114.06 1h6m n LEU 83 Ca -0.03 0.08 0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1h6m n LEU 83 Cb 0.11 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1h6m n LEU 83 CO 0.26 -0.00 0.45 0.18 -1.33 0.00 0.00 177.39 176.95 1h6m n LEU 84 N -1.08 2.18 -4.74 2.23 4.77 -0.51 -3.79 117.00 116.06 1h6m n LEU 84 Ca 0.21 -0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 54.89 1h6m n LEU 84 Cb 0.14 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1h6m n LEU 84 CO 0.19 0.39 0.79 -0.55 -1.33 0.00 0.00 177.39 176.89 1h6m s SER 85 N -1.46 4.61 0.59 -1.43 0.15 -1.21 -4.14 113.70 110.82 1h6m s SER 85 Ca 0.18 2.28 0.38 0.00 0.70 0.00 0.00 55.95 59.49 1h6m s SER 85 Cb 0.13 -2.58 1.77 0.00 -1.71 0.00 0.00 66.02 63.63 1h6m s SER 85 CO 0.24 -1.98 2.13 0.77 1.20 0.00 0.00 173.24 175.61 1h6m h SER 86 N 0.03 0.00 -3.62 5.45 4.64 -1.94 -3.40 113.55 114.72 1h6m h SER 86 Ca -0.48 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.21 1h6m h SER 86 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.23 1h6m h SER 86 CO 0.52 0.00 -0.06 -0.62 -0.87 0.00 0.00 176.83 175.80 1h6m s ASP 87 N -5.49 6.36 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.22 1h6m s ASP 87 Ca -0.01 0.24 0.10 0.00 -0.52 0.00 0.00 52.55 52.36 1h6m s ASP 87 Cb 0.10 -2.27 0.44 0.00 -1.46 0.00 0.00 42.92 39.74 1h6m s ASP 87 CO 0.49 -0.36 1.31 2.30 0.52 0.00 0.00 175.17 179.43 1h6m n ILE 88 N 5.28 0.14 -0.18 4.11 -5.35 -1.26 -4.34 119.36 117.76 1h6m n ILE 88 Ca -0.05 -0.16 -0.01 0.00 -0.27 0.00 0.00 62.75 62.25 1h6m n ILE 88 Cb 0.49 0.04 0.08 0.00 -1.74 0.00 0.00 39.64 38.52 1h6m n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1h6m h THR 89 N 0.82 0.72 -0.40 7.28 2.02 -1.93 -0.23 112.91 121.19 1h6m h THR 89 Ca 0.00 -0.10 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 1h6m h THR 89 Cb 0.18 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1h6m h THR 89 CO 0.00 0.05 -0.25 0.00 0.37 0.00 0.00 175.52 175.69 1h6m h ALA 90 N 1.41 0.79 -0.55 6.16 0.00 -1.83 -0.68 119.26 124.56 1h6m h ALA 90 Ca 0.27 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1h6m h ALA 90 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1h6m h ALA 90 CO -0.33 0.65 0.13 0.77 0.00 0.00 0.00 179.25 180.46 1h6m h SER 91 N 0.72 0.85 -0.11 0.00 0.02 -1.64 -1.30 113.55 112.08 1h6m h SER 91 Ca 0.09 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1h6m h SER 91 Cb 0.79 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1h6m h SER 91 CO 0.07 0.87 0.01 0.58 -1.14 0.00 0.00 176.83 177.21 1h6m h VAL 92 N 0.79 1.24 -0.95 2.27 2.07 -0.71 0.27 116.25 121.23 1h6m h VAL 92 Ca 0.17 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1h6m h VAL 92 Cb 0.36 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1h6m h VAL 92 CO 0.00 0.22 0.61 0.78 0.02 0.00 0.00 177.57 179.21 1h6m h ASN 93 N -0.06 1.11 -0.32 0.57 -0.26 -1.04 -0.39 115.58 115.20 1h6m h ASN 93 Ca 0.03 -0.04 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 1h6m h ASN 93 Cb 0.33 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1h6m h ASN 93 CO 0.00 0.82 -0.33 0.00 -1.06 0.00 0.00 177.43 176.86 1h6m h ALA 95 N 0.73 1.65 -0.71 0.00 0.00 -0.32 -1.54 119.26 119.07 1h6m h ALA 95 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1h6m h ALA 95 Cb 0.91 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1h6m h ALA 95 CO 0.08 0.28 0.47 0.87 0.00 0.00 0.00 179.25 180.95 1h6m h LYS 96 N 0.75 0.93 -0.76 0.00 1.57 -0.94 -0.18 116.57 117.94 1h6m h LYS 96 Ca 0.25 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1h6m h LYS 96 Cb 0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1h6m h LYS 96 CO -0.07 0.61 0.30 -0.22 -0.57 0.00 0.00 179.45 179.51 1h6m h LYS 97 N 0.96 1.14 -0.28 3.15 3.64 -1.22 -2.81 116.57 121.14 1h6m h LYS 97 Ca 0.26 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1h6m h LYS 97 Cb -0.10 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 1h6m h LYS 97 CO -0.06 0.93 -0.07 0.82 -2.27 0.00 0.00 179.45 178.80 1h6m h ILE 98 N 1.10 1.28 0.00 2.00 2.04 -0.82 -2.49 117.51 120.63 1h6m h ILE 98 Ca 0.25 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1h6m h ILE 98 Cb 0.22 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1h6m h ILE 98 CO -0.02 0.35 0.00 0.55 0.00 0.00 0.00 178.15 179.03 1h6m n VAL 99 N -4.50 0.82 1.12 1.67 3.14 -0.12 -1.80 118.33 118.66 1h6m n VAL 99 Ca -0.03 0.18 0.12 0.00 -2.96 0.00 0.00 64.34 61.65 1h6m n VAL 99 Cb 0.31 -1.05 0.32 0.00 -1.06 0.00 0.00 33.84 32.36 1h6m n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1h6m n SER 100 N -2.04 2.29 0.11 6.55 7.64 -0.95 -3.70 113.62 123.52 1h6m n SER 100 Ca 0.03 -1.77 0.12 0.00 1.01 0.00 0.00 58.87 58.26 1h6m n SER 100 Cb 0.24 -0.05 0.45 0.00 -1.01 0.00 0.00 64.21 63.84 1h6m n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1h6m n ASP 101 N 0.77 0.71 0.00 6.43 2.03 -0.74 -4.89 116.55 120.85 1h6m n ASP 101 Ca 0.17 0.62 0.00 0.00 0.52 0.00 0.00 54.79 56.10 1h6m n ASP 101 Cb 0.47 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1h6m n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h6m n GLY 102 N 0.63 1.36 0.88 0.27 0.00 -1.26 -4.97 105.19 102.09 1h6m n GLY 102 Ca 0.04 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1h6m n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h6m n ASN 103 N 0.00 3.43 0.00 1.61 3.02 -1.26 -5.07 115.26 116.99 1h6m n ASN 103 Ca 0.00 -2.23 0.00 0.00 -0.03 0.00 0.00 54.58 52.32 1h6m n ASN 103 Cb 0.00 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1h6m n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h6m n GLY 104 N 0.54 2.14 0.00 7.41 0.00 -1.24 -1.70 105.19 112.33 1h6m n GLY 104 Ca 0.16 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1h6m n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h6m n MET 105 N 7.96 0.72 0.18 1.61 2.81 -1.26 -2.90 117.12 126.24 1h6m n MET 105 Ca 0.00 0.01 0.13 0.00 -1.81 0.00 0.00 57.70 56.03 1h6m n MET 105 Cb 0.00 -1.50 0.66 0.00 -0.71 0.00 0.00 33.22 31.67 1h6m n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1h6m h ASN 106 N 0.00 0.00 -0.09 7.83 2.35 -1.74 -0.46 115.58 123.47 1h6m h ASN 106 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1h6m h ASN 106 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1h6m h ASN 106 CO 0.00 0.00 0.09 0.00 -1.65 0.00 0.00 177.43 175.87 1h6m h ALA 107 N 2.06 1.81 -2.22 -0.83 0.00 -1.68 -3.34 119.26 115.04 1h6m h ALA 107 Ca 0.00 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1h6m h ALA 107 Cb 0.11 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.71 1h6m h ALA 107 CO 0.00 -0.13 -0.10 -1.58 0.00 0.00 0.00 179.25 177.44 1h6m s TRP 108 N -4.78 3.12 0.18 0.00 0.51 -0.18 -4.95 118.94 112.84 1h6m s TRP 108 Ca -0.05 -0.54 -0.14 0.00 -2.12 0.00 0.00 56.10 53.25 1h6m s TRP 108 Cb 0.16 -3.26 0.17 0.00 -0.81 0.00 0.00 33.47 29.73 1h6m s TRP 108 CO 0.59 -0.88 1.68 0.28 -0.51 0.00 0.00 176.95 178.12 1h6m h VAL 109 N 5.80 0.61 -0.29 4.03 2.07 -1.84 -1.25 116.25 125.39 1h6m h VAL 109 Ca -0.27 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1h6m h VAL 109 Cb 1.10 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1h6m h VAL 109 CO 0.89 0.02 0.02 0.00 0.02 0.00 0.00 177.57 178.52 1h6m h ALA 110 N 1.43 1.50 -0.19 1.67 0.00 -1.93 -0.90 119.26 120.84 1h6m h ALA 110 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1h6m h ALA 110 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1h6m h ALA 110 CO -0.41 0.37 0.05 2.35 0.00 0.00 0.00 179.25 181.61 1h6m h TRP 111 N 0.42 0.32 -0.73 0.00 7.01 -1.56 0.90 115.95 122.31 1h6m h TRP 111 Ca 0.10 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.10 1h6m h TRP 111 Cb 0.25 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 1h6m h TRP 111 CO 0.01 0.41 0.45 -0.09 -2.79 0.00 0.00 178.44 176.43 1h6m h ARG 112 N 0.13 0.85 0.00 2.65 2.43 -0.81 0.19 114.38 119.82 1h6m h ARG 112 Ca 0.06 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1h6m h ARG 112 Cb 0.25 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1h6m h ARG 112 CO -0.00 0.56 -0.64 -0.91 -1.51 0.00 0.00 179.97 177.47 1h6m h ASN 113 N 0.87 0.00 0.00 -3.80 2.35 -1.01 -3.36 115.58 110.63 1h6m h ASN 113 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1h6m h ASN 113 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1h6m h ASN 113 CO -0.12 0.23 -0.44 0.54 -1.65 0.00 0.00 177.43 175.99 1h6m n ARG 114 N -2.98 2.98 -0.02 0.81 1.74 0.29 -4.90 116.66 114.59 1h6m n ARG 114 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1h6m n ARG 114 Cb 0.64 -0.66 -0.01 0.00 -1.02 0.00 0.00 32.46 31.40 1h6m n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h6m n LYS 116 N -2.91 1.28 -0.19 0.00 4.81 0.44 -1.55 118.16 120.03 1h6m n LYS 116 Ca -0.07 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1h6m n LYS 116 Cb 0.56 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1h6m n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h6m n GLY 117 N 3.25 2.29 3.97 3.14 0.00 -1.26 -4.97 105.19 111.62 1h6m n GLY 117 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1h6m n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h6m s THR 118 N -3.08 2.24 -1.34 2.61 -4.23 -0.60 -4.96 115.64 106.28 1h6m s THR 118 Ca 0.00 -0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 59.86 1h6m s THR 118 Cb 0.00 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1h6m s THR 118 CO 0.00 0.00 1.98 -0.67 -0.54 0.00 0.00 174.62 175.39 1h6m n ASP 119 N -2.87 4.25 0.24 3.99 2.03 -1.26 -4.76 116.55 118.17 1h6m n ASP 119 Ca 0.13 -2.86 0.16 0.00 0.52 0.00 0.00 54.79 52.74 1h6m n ASP 119 Cb 0.60 -1.68 0.77 0.00 -0.72 0.00 0.00 41.12 40.09 1h6m n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1h6m h VAL 120 N 4.84 0.00 0.00 5.18 -1.51 -1.90 -2.64 116.25 120.22 1h6m h VAL 120 Ca 0.49 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 65.72 1h6m h VAL 120 Cb 0.76 1.06 -0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1h6m h VAL 120 CO 1.67 0.00 -0.12 -0.61 -1.23 0.00 0.00 177.57 177.28 1h6m h GLN 121 N 0.00 0.00 -0.33 5.19 -0.00 -1.88 -0.36 115.11 117.73 1h6m h GLN 121 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.75 1h6m h GLN 121 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 1h6m h GLN 121 CO 0.00 0.12 0.28 0.00 0.00 0.00 0.00 178.83 179.23 1h6m h ALA 122 N 1.88 2.15 0.00 3.38 0.00 -1.87 -0.71 119.26 124.09 1h6m h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h6m h ALA 122 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h6m h ALA 122 CO 0.02 -0.45 0.00 -1.49 0.00 0.00 0.00 179.25 177.33 1h6m h TRP 123 N 0.00 0.00 -0.17 0.00 4.06 -1.28 -2.78 115.95 115.79 1h6m h TRP 123 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 1h6m h TRP 123 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 1h6m h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1h6m n ILE 124 N -2.39 1.07 -1.85 1.49 -5.35 -0.29 -4.80 119.36 107.23 1h6m n ILE 124 Ca 0.02 -1.06 -0.42 0.00 -0.27 0.00 0.00 62.75 61.02 1h6m n ILE 124 Cb 0.28 0.46 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 1h6m n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h6m s ARG 125 N -1.11 4.18 0.00 6.28 1.70 -1.05 -2.21 118.95 126.74 1h6m s ARG 125 Ca 0.13 2.45 0.00 0.00 -0.47 0.00 0.00 55.73 57.83 1h6m s ARG 125 Cb 0.07 -3.26 0.00 0.00 -0.57 0.00 0.00 34.95 31.20 1h6m s ARG 125 CO 0.08 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 174.01 1h6m n GLY 126 N 3.91 1.14 3.75 3.88 0.00 -1.26 -5.02 105.19 111.58 1h6m n GLY 126 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1h6m n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h6m s ARG 128 N -0.23 4.58 0.00 0.00 3.52 -1.26 -5.12 118.95 120.43 1h6m s ARG 128 Ca 0.40 1.32 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 1h6m s ARG 128 Cb -0.22 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1h6m s ARG 128 CO 0.25 0.08 0.00 1.28 -0.81 0.00 0.00 175.30 176.10