#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq2 s VAL 2 N 0.00 3.84 0.46 3.15 1.01 -1.26 -0.85 120.40 126.75 1sq2 s VAL 2 Ca 0.00 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.55 1sq2 s VAL 2 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 1sq2 s VAL 2 CO 0.00 -0.25 1.15 -0.36 0.00 0.00 0.00 175.10 175.65 1sq2 s PHE 3 N 1.40 2.90 0.63 5.22 0.40 -0.55 -5.00 117.98 122.98 1sq2 s PHE 3 Ca -0.01 1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 57.74 1sq2 s PHE 3 Cb -0.20 -3.35 -0.02 0.00 0.51 0.00 0.00 43.02 39.96 1sq2 s PHE 3 CO 0.02 -1.42 1.05 0.20 0.70 0.00 0.00 175.22 175.77 1sq2 s GLY 4 N -1.40 1.91 0.10 4.36 0.00 -1.26 -4.86 107.32 106.17 1sq2 s GLY 4 Ca 0.63 0.22 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 1sq2 s GLY 4 CO 0.34 0.53 1.62 -0.09 0.00 0.00 0.00 173.10 175.49 1sq2 h ARG 5 N -0.03 -0.62 -0.13 2.90 2.43 -1.96 -0.39 114.38 116.59 1sq2 h ARG 5 Ca -0.45 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.64 1sq2 h ARG 5 Cb 1.21 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1sq2 h ARG 5 CO 0.58 -0.41 -0.44 0.00 -1.51 0.00 0.00 179.97 178.19 1sq2 h GLU 7 N 0.25 0.69 -0.27 0.00 4.81 -1.91 -1.21 114.58 116.94 1sq2 h GLU 7 Ca 0.02 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1sq2 h GLU 7 Cb 0.87 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1sq2 h GLU 7 CO 0.07 0.46 -0.36 1.25 -0.73 0.00 0.00 179.01 179.70 1sq2 h LEU 8 N 0.71 0.78 -0.62 1.64 5.85 -0.77 -1.93 115.31 120.97 1sq2 h LEU 8 Ca 0.30 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.59 1sq2 h LEU 8 Cb 0.18 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1sq2 h LEU 8 CO -0.18 1.13 0.30 0.00 -0.34 0.00 0.00 178.44 179.35 1sq2 h ALA 9 N 0.67 0.82 -0.60 1.25 0.00 -0.94 0.11 119.26 120.56 1sq2 h ALA 9 Ca 0.03 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1sq2 h ALA 9 Cb 0.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1sq2 h ALA 9 CO 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1sq2 h ALA 10 N 1.36 0.86 -0.39 0.00 0.00 -1.10 -0.76 119.26 119.23 1sq2 h ALA 10 Ca 0.29 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1sq2 h ALA 10 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sq2 h ALA 10 CO -0.22 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.64 1sq2 h ALA 11 N 1.02 0.53 -0.07 0.00 0.00 -0.80 -0.48 119.26 119.46 1sq2 h ALA 11 Ca 0.17 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1sq2 h ALA 11 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sq2 h ALA 11 CO 0.03 0.35 -0.40 0.52 0.00 0.00 0.00 179.25 179.76 1sq2 h MET 12 N 0.53 0.16 -0.35 0.00 2.86 -0.66 -1.19 114.93 116.28 1sq2 h MET 12 Ca 0.10 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1sq2 h MET 12 Cb 0.55 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1sq2 h MET 12 CO 0.03 0.53 -0.11 -0.22 1.06 0.00 0.00 176.91 178.21 1sq2 h LYS 13 N 0.13 0.69 -0.34 1.72 3.64 -0.86 -1.15 116.57 120.42 1sq2 h LYS 13 Ca 0.01 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1sq2 h LYS 13 Cb 0.76 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1sq2 h LYS 13 CO 0.06 0.86 0.04 0.00 -2.27 0.00 0.00 179.45 178.14 1sq2 h ARG 14 N 0.48 0.50 -0.06 1.90 3.08 -0.76 -0.34 114.38 119.18 1sq2 h ARG 14 Ca 0.09 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sq2 h ARG 14 Cb 0.62 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1sq2 h ARG 14 CO 0.04 0.50 0.00 0.72 -1.07 0.00 0.00 179.97 180.16 1sq2 n HIS 15 N -4.32 0.08 -0.97 3.04 8.25 -0.48 -4.92 115.22 115.92 1sq2 n HIS 15 Ca 0.02 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1sq2 n HIS 15 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1sq2 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sq2 n GLY 16 N 0.69 0.41 0.13 -1.41 0.00 -0.14 -4.95 105.19 99.92 1sq2 n GLY 16 Ca 0.06 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 45.16 1sq2 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sq2 h LEU 17 N 0.00 0.00 -9.14 0.99 3.38 -1.40 -3.41 115.31 105.74 1sq2 h LEU 17 Ca 0.00 -0.04 -0.56 0.00 0.09 0.00 0.00 57.88 57.37 1sq2 h LEU 17 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1sq2 h LEU 17 CO 0.00 0.02 1.22 -0.62 0.09 0.00 0.00 178.44 179.15 1sq2 s ASP 18 N -4.94 6.26 -1.39 -0.43 2.15 -1.26 -1.63 116.67 115.42 1sq2 s ASP 18 Ca 0.08 2.02 0.00 0.00 0.43 0.00 0.00 52.55 55.08 1sq2 s ASP 18 Cb 0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1sq2 s ASP 18 CO 0.65 -1.29 0.00 0.59 -0.17 0.00 0.00 175.17 174.95 1sq2 n ASN 19 N 8.66 -4.57 -4.67 -0.34 3.02 -0.47 -4.86 115.26 112.03 1sq2 n ASN 19 Ca 0.21 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.64 1sq2 n ASN 19 Cb 0.44 -3.27 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 1sq2 n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sq2 s TYR 20 N -2.51 2.29 -1.43 3.10 5.04 -0.65 -1.26 117.35 121.94 1sq2 s TYR 20 Ca 0.00 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 1sq2 s TYR 20 Cb 0.00 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.45 1sq2 s TYR 20 CO 0.00 -3.47 0.00 0.54 -1.34 0.00 0.00 175.55 171.28 1sq2 n ARG 21 N 6.41 -1.89 -0.83 4.97 5.12 -1.26 -1.55 116.66 127.63 1sq2 n ARG 21 Ca 0.16 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1sq2 n ARG 21 Cb 0.43 -5.39 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 1sq2 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sq2 n GLY 22 N -0.80 0.69 3.52 -0.13 0.00 -0.39 -5.03 105.19 103.05 1sq2 n GLY 22 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1sq2 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sq2 s TYR 23 N -2.52 3.23 0.71 1.61 2.02 -0.60 -4.89 117.35 116.91 1sq2 s TYR 23 Ca 0.00 -0.25 -0.15 0.00 -0.37 0.00 0.00 57.07 56.30 1sq2 s TYR 23 Cb 0.00 -2.48 0.03 0.00 -0.40 0.00 0.00 41.96 39.11 1sq2 s TYR 23 CO 0.00 -0.38 1.15 -1.54 -1.57 0.00 0.00 175.55 173.22 1sq2 s SER 24 N 1.71 4.55 0.29 2.29 1.04 -1.26 -1.36 113.70 120.96 1sq2 s SER 24 Ca 0.06 2.16 0.04 0.00 0.48 0.00 0.00 55.95 58.69 1sq2 s SER 24 Cb -0.17 -2.57 0.74 0.00 0.10 0.00 0.00 66.02 64.12 1sq2 s SER 24 CO 0.10 -2.01 1.69 0.25 0.98 0.00 0.00 173.24 174.25 1sq2 h LEU 25 N -0.27 0.30 -1.83 2.42 5.85 -1.89 -0.74 115.31 119.15 1sq2 h LEU 25 Ca -0.47 0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.53 1sq2 h LEU 25 Cb 1.27 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 1sq2 h LEU 25 CO 0.51 -0.03 0.36 1.23 -0.34 0.00 0.00 178.44 180.17 1sq2 h GLY 26 N 0.37 0.27 0.97 3.75 0.00 -1.91 -1.46 103.07 105.07 1sq2 h GLY 26 Ca 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.83 1sq2 h GLY 26 CO -0.55 0.04 0.43 3.43 0.00 0.00 0.00 176.54 179.89 1sq2 h ASN 27 N 0.18 0.73 -0.35 0.19 2.35 -1.36 -0.37 115.58 116.96 1sq2 h ASN 27 Ca 0.24 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.82 1sq2 h ASN 27 Cb 0.71 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1sq2 h ASN 27 CO -0.04 0.52 -0.37 -0.50 -1.65 0.00 0.00 177.43 175.39 1sq2 h TRP 28 N 0.86 1.08 -0.17 1.19 4.06 -1.37 0.05 115.95 121.65 1sq2 h TRP 28 Ca 0.25 -0.32 -0.07 0.00 2.06 0.00 0.00 58.89 60.81 1sq2 h TRP 28 Cb -0.07 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 27.86 1sq2 h TRP 28 CO -0.03 1.13 -0.16 0.28 -3.56 0.00 0.00 178.44 176.09 1sq2 h VAL 29 N 0.74 1.34 -0.56 1.49 2.07 -1.26 -1.88 116.25 118.18 1sq2 h VAL 29 Ca 0.06 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1sq2 h VAL 29 Cb 0.96 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1sq2 h VAL 29 CO 0.09 0.39 0.33 0.00 0.02 0.00 0.00 177.57 178.40 1sq2 h ALA 31 N 1.16 0.56 -0.73 0.00 0.00 -0.89 -2.31 119.26 117.04 1sq2 h ALA 31 Ca 0.20 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1sq2 h ALA 31 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1sq2 h ALA 31 CO -0.04 -0.14 0.22 0.00 0.00 0.00 0.00 179.25 179.30 1sq2 h ALA 32 N 1.24 1.02 -0.21 0.00 0.00 -0.85 0.12 119.26 120.57 1sq2 h ALA 32 Ca 0.19 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sq2 h ALA 32 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1sq2 h ALA 32 CO -0.14 0.66 -0.00 -0.22 0.00 0.00 0.00 179.25 179.55 1sq2 h LYS 33 N 1.08 0.06 0.00 0.00 1.63 -0.79 -1.32 116.57 117.24 1sq2 h LYS 33 Ca 0.23 -0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.93 1sq2 h LYS 33 Cb 0.31 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1sq2 h LYS 33 CO -0.01 0.04 -0.64 0.74 -3.45 0.00 0.00 179.45 176.14 1sq2 h PHE 34 N 0.06 0.00 0.07 1.91 0.04 -1.18 0.11 116.94 117.96 1sq2 h PHE 34 Ca 0.10 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 1sq2 h PHE 34 Cb 0.12 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.29 1sq2 h PHE 34 CO -0.18 0.42 -0.51 0.93 -0.60 0.00 0.00 178.31 178.37 1sq2 h GLU 35 N 0.00 0.23 0.00 1.51 4.39 -0.71 -3.43 114.58 116.57 1sq2 h GLU 35 Ca -0.03 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1sq2 h GLU 35 Cb 1.35 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1sq2 h GLU 35 CO 0.05 1.12 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 1sq2 n SER 36 N -4.31 0.47 -2.96 1.42 3.41 -0.52 -4.86 113.62 106.26 1sq2 n SER 36 Ca -0.12 -0.84 -0.21 0.00 -0.26 0.00 0.00 58.87 57.44 1sq2 n SER 36 Cb 0.67 0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.77 1sq2 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sq2 n ASN 37 N -0.14 -5.07 -0.71 4.04 5.15 0.40 -1.92 115.26 117.01 1sq2 n ASN 37 Ca 0.00 -0.21 -0.09 0.00 -0.60 0.00 0.00 54.58 53.67 1sq2 n ASN 37 Cb 0.08 -4.16 -0.04 0.00 -0.53 0.00 0.00 39.78 35.12 1sq2 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1sq2 n PHE 38 N -4.12 0.00 -3.44 1.20 3.72 -1.16 -4.84 117.46 108.80 1sq2 n PHE 38 Ca -0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 1sq2 n PHE 38 Cb 0.60 -2.05 -0.10 0.00 -0.94 0.00 0.00 39.48 37.00 1sq2 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1sq2 s ASN 39 N -2.60 6.13 0.61 4.37 2.47 -0.81 -1.47 114.94 123.63 1sq2 s ASN 39 Ca 0.00 -0.57 0.33 0.00 0.42 0.00 0.00 52.86 53.03 1sq2 s ASN 39 Cb 0.00 -2.17 1.95 0.00 -1.45 0.00 0.00 41.25 39.58 1sq2 s ASN 39 CO 0.00 -0.39 2.28 0.71 -3.72 0.00 0.00 177.10 175.98 1sq2 h THR 40 N 5.59 0.42 -0.37 -5.21 1.35 -1.31 -2.60 112.91 110.76 1sq2 h THR 40 Ca -0.29 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1sq2 h THR 40 Cb 1.13 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1sq2 h THR 40 CO 0.70 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.98 1sq2 n GLN 41 N -3.68 2.40 -1.91 4.72 1.13 -1.26 -3.94 117.38 114.84 1sq2 n GLN 41 Ca -0.03 -2.12 -0.42 0.00 -1.94 0.00 0.00 57.00 52.50 1sq2 n GLN 41 Cb 0.08 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 1sq2 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sq2 s ALA 42 N -1.52 3.71 -0.00 -1.58 0.00 -0.98 -4.78 121.76 116.62 1sq2 s ALA 42 Ca 0.38 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.78 1sq2 s ALA 42 Cb 0.22 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1sq2 s ALA 42 CO 0.31 -0.83 -0.08 0.95 0.00 0.00 0.00 175.76 176.11 1sq2 s THR 43 N 0.33 0.60 -0.04 0.00 -4.23 -1.26 -0.11 115.64 110.94 1sq2 s THR 43 Ca 0.64 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1sq2 s THR 43 Cb -0.44 -0.52 0.03 0.00 1.34 0.00 0.00 72.50 72.91 1sq2 s THR 43 CO 0.41 0.13 0.02 0.20 -0.54 0.00 0.00 174.62 174.85 1sq2 s ASN 44 N -0.28 0.82 0.32 3.99 0.01 -0.72 -4.98 114.94 114.10 1sq2 s ASN 44 Ca 0.02 0.00 -0.23 0.00 -0.71 0.00 0.00 52.86 51.95 1sq2 s ASN 44 Cb -0.03 -0.22 -0.10 0.00 0.41 0.00 0.00 41.25 41.31 1sq2 s ASN 44 CO -0.00 -0.17 0.88 -0.60 -1.51 0.00 0.00 177.10 175.70 1sq2 s ARG 45 N 1.55 4.38 0.26 -0.60 3.52 -1.26 -0.70 118.95 126.11 1sq2 s ARG 45 Ca -0.03 1.12 0.08 0.00 -0.13 0.00 0.00 55.73 56.77 1sq2 s ARG 45 Cb -0.13 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 1sq2 s ARG 45 CO -0.03 0.23 0.15 -0.80 -0.81 0.00 0.00 175.30 174.04 1sq2 s ASN 46 N -1.80 5.23 0.40 -2.12 -0.87 0.46 -4.94 114.94 111.30 1sq2 s ASN 46 Ca 0.51 -0.38 0.19 0.00 -1.57 0.00 0.00 52.86 51.61 1sq2 s ASN 46 Cb -0.15 -1.22 1.11 0.00 -0.02 0.00 0.00 41.25 40.97 1sq2 s ASN 46 CO 0.20 -0.06 1.77 0.74 -2.57 0.00 0.00 177.10 177.18 1sq2 h THR 47 N 1.58 0.51 -0.02 1.60 2.02 -1.98 -1.33 112.91 115.29 1sq2 h THR 47 Ca -0.47 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1sq2 h THR 47 Cb 1.24 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1sq2 h THR 47 CO 0.61 0.07 0.00 -0.90 0.37 0.00 0.00 175.52 175.67 1sq2 n ASP 48 N -4.63 0.44 0.00 4.18 5.75 -1.26 -4.89 116.55 116.14 1sq2 n ASP 48 Ca 0.26 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1sq2 n ASP 48 Cb 0.89 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 1sq2 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sq2 n GLY 49 N 0.98 1.50 3.70 6.12 0.00 -0.50 -5.06 105.19 111.94 1sq2 n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1sq2 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sq2 s SER 50 N -3.14 2.69 0.02 1.61 1.04 -1.26 -4.79 113.70 109.87 1sq2 s SER 50 Ca 0.00 1.04 0.02 0.00 0.48 0.00 0.00 55.95 57.49 1sq2 s SER 50 Cb 0.00 -1.63 -0.01 0.00 0.10 0.00 0.00 66.02 64.48 1sq2 s SER 50 CO 0.00 -3.07 -0.07 -0.89 0.98 0.00 0.00 173.24 170.18 1sq2 s THR 51 N -3.08 0.56 -0.19 2.02 2.01 -1.26 -0.41 115.64 115.29 1sq2 s THR 51 Ca 0.66 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 1sq2 s THR 51 Cb -0.16 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1sq2 s THR 51 CO 0.56 -0.10 0.34 -1.81 -0.69 0.00 0.00 174.62 172.92 1sq2 s ASP 52 N -0.85 6.42 -0.10 3.53 1.01 0.13 -1.25 116.67 125.55 1sq2 s ASP 52 Ca -0.03 0.49 0.03 0.00 0.71 0.00 0.00 52.55 53.74 1sq2 s ASP 52 Cb -0.06 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 1sq2 s ASP 52 CO 0.00 0.00 -0.20 -0.31 0.21 0.00 0.00 175.17 174.88 1sq2 s TYR 53 N 0.96 2.65 0.00 4.23 1.51 -0.30 -1.76 117.35 124.64 1sq2 s TYR 53 Ca 0.17 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1sq2 s TYR 53 Cb -0.14 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 1sq2 s TYR 53 CO 0.06 -0.28 0.00 0.41 -1.11 0.00 0.00 175.55 174.63 1sq2 n GLY 54 N 3.38 -1.85 0.33 0.71 0.00 0.85 -1.73 105.19 106.88 1sq2 n GLY 54 Ca -0.18 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1sq2 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sq2 h ILE 55 N 0.00 0.94 -0.10 -0.61 6.09 -1.68 -1.61 117.51 120.54 1sq2 h ILE 55 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1sq2 h ILE 55 Cb 0.00 0.60 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1sq2 h ILE 55 CO 0.00 0.06 0.00 0.18 -3.07 0.00 0.00 178.15 175.32 1sq2 n LEU 56 N -4.47 2.60 -3.71 2.19 4.77 -1.26 -4.11 117.00 113.01 1sq2 n LEU 56 Ca 0.06 -2.58 -0.27 0.00 -0.03 0.00 0.00 56.01 53.19 1sq2 n LEU 56 Cb 0.28 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1sq2 n LEU 56 CO 0.35 0.64 -0.10 0.00 -1.33 0.00 0.00 177.39 176.95 1sq2 n GLN 57 N -0.70 -2.56 -3.17 3.23 1.13 -0.61 -4.91 117.38 109.79 1sq2 n GLN 57 Ca 0.11 0.51 -0.39 0.00 -1.94 0.00 0.00 57.00 55.30 1sq2 n GLN 57 Cb 0.53 -4.58 -0.06 0.00 0.11 0.00 0.00 30.24 26.25 1sq2 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1sq2 s ILE 58 N -3.61 4.89 -0.00 5.09 1.01 -0.71 -4.42 121.20 123.45 1sq2 s ILE 58 Ca 0.27 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 61.99 1sq2 s ILE 58 Cb -0.09 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1sq2 s ILE 58 CO 0.85 0.41 0.71 0.21 0.00 0.00 0.00 174.94 177.11 1sq2 s ASN 59 N -0.14 7.08 0.19 3.58 3.84 -1.26 -1.14 114.94 127.08 1sq2 s ASN 59 Ca 0.32 1.30 0.23 0.00 0.21 0.00 0.00 52.86 54.92 1sq2 s ASN 59 Cb -0.18 -2.43 0.90 0.00 -0.55 0.00 0.00 41.25 38.99 1sq2 s ASN 59 CO 0.18 -0.01 1.70 -1.54 -2.79 0.00 0.00 177.10 174.64 1sq2 n SER 60 N 3.12 0.55 0.19 -4.21 3.41 -0.38 -1.35 113.62 114.95 1sq2 n SER 60 Ca -0.03 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 1sq2 n SER 60 Cb 0.51 -0.74 0.32 0.00 -0.26 0.00 0.00 64.21 64.05 1sq2 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sq2 h ARG 61 N 0.00 0.00 0.00 4.33 2.43 -1.84 -3.40 114.38 115.90 1sq2 h ARG 61 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1sq2 h ARG 61 Cb 0.44 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1sq2 h ARG 61 CO 0.00 0.33 -1.05 0.91 -1.51 0.00 0.00 179.97 178.65 1sq2 n TRP 62 N -3.41 0.00 -0.06 2.20 7.02 -1.13 -4.34 117.44 117.73 1sq2 n TRP 62 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 1sq2 n TRP 62 Cb 0.52 -0.03 -0.12 0.00 -2.42 0.00 0.00 31.31 29.26 1sq2 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1sq2 n TRP 63 N -2.61 0.00 -4.01 -5.99 7.02 -0.46 -0.91 117.44 110.48 1sq2 n TRP 63 Ca -0.02 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.38 1sq2 n TRP 63 Cb 0.52 -0.64 -0.10 0.00 -2.42 0.00 0.00 31.31 28.66 1sq2 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sq2 s ASN 65 N -2.25 6.18 0.00 0.00 3.84 -0.16 -4.44 114.94 118.11 1sq2 s ASN 65 Ca -0.03 -0.01 0.29 0.00 0.21 0.00 0.00 52.86 53.32 1sq2 s ASN 65 Cb -0.00 -2.19 1.29 0.00 -0.55 0.00 0.00 41.25 39.80 1sq2 s ASN 65 CO -0.06 -0.24 1.88 -0.90 -2.79 0.00 0.00 177.10 174.99 1sq2 n ASP 66 N 5.32 0.84 0.00 -4.21 5.68 -1.26 -1.43 116.55 121.49 1sq2 n ASP 66 Ca -0.10 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 1sq2 n ASP 66 Cb 0.50 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1sq2 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sq2 n GLY 67 N 1.17 0.89 0.69 6.12 0.00 -1.26 -4.83 105.19 107.95 1sq2 n GLY 67 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1sq2 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sq2 n ARG 68 N -2.16 0.40 -4.04 1.61 1.74 -1.26 -5.03 116.66 107.92 1sq2 n ARG 68 Ca 0.00 -1.79 -0.32 0.00 -0.77 0.00 0.00 57.85 54.97 1sq2 n ARG 68 Cb 0.00 -0.68 -0.15 0.00 -1.02 0.00 0.00 32.46 30.61 1sq2 n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sq2 s THR 69 N -0.88 2.26 0.10 0.55 2.01 -1.26 -5.09 115.64 113.33 1sq2 s THR 69 Ca 0.19 -1.95 -0.35 0.00 0.31 0.00 0.00 61.69 59.88 1sq2 s THR 69 Cb 0.19 -2.49 -0.15 0.00 0.01 0.00 0.00 72.50 70.07 1sq2 s THR 69 CO -0.05 -0.29 1.52 -2.65 -0.69 0.00 0.00 174.62 172.46 1sq2 n PRO 70 N 4.36 1.73 -2.88 4.92 -0.02 -1.26 -2.35 135.00 139.50 1sq2 n PRO 70 Ca -0.06 0.63 -0.18 0.00 -2.02 0.00 0.00 63.50 61.86 1sq2 n PRO 70 Cb 0.42 -2.35 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1sq2 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sq2 n GLY 71 N 3.19 -0.30 3.68 -1.23 0.00 -1.26 -4.88 105.19 104.39 1sq2 n GLY 71 Ca 0.18 -0.04 -0.52 0.00 0.00 0.00 0.00 46.02 45.65 1sq2 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sq2 n SER 72 N -1.73 2.73 -0.13 1.61 2.88 -0.99 -4.87 113.62 113.12 1sq2 n SER 72 Ca -0.09 1.05 -0.09 0.00 -1.33 0.00 0.00 58.87 58.41 1sq2 n SER 72 Cb 0.60 -1.26 -0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1sq2 n SER 72 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1sq2 h ARG 73 N 7.32 0.56 -6.68 -1.46 3.08 -1.83 -3.47 114.38 111.90 1sq2 h ARG 73 Ca -0.47 -0.07 -0.54 0.00 0.07 0.00 0.00 59.98 58.97 1sq2 h ARG 73 Cb 1.30 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1sq2 h ARG 73 CO 0.92 0.46 -0.97 -1.71 -1.07 0.00 0.00 179.97 177.61 1sq2 n ASN 74 N -4.73 -3.05 0.28 7.04 5.15 -1.15 -4.82 115.26 113.97 1sq2 n ASN 74 Ca 0.00 -1.17 0.16 0.00 -0.60 0.00 0.00 54.58 52.98 1sq2 n ASN 74 Cb 0.09 -2.39 0.75 0.00 -0.53 0.00 0.00 39.78 37.70 1sq2 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1sq2 h LEU 75 N -2.17 0.00 -0.66 1.20 3.38 -1.01 -0.12 115.31 115.93 1sq2 h LEU 75 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1sq2 h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1sq2 h LEU 75 CO 0.55 0.06 -0.13 0.00 0.09 0.00 0.00 178.44 179.02 1sq2 n ASN 77 N -0.33 -3.89 -3.82 0.00 3.02 -0.06 -4.99 115.26 105.19 1sq2 n ASN 77 Ca 0.16 -0.90 -0.12 0.00 -0.03 0.00 0.00 54.58 53.69 1sq2 n ASN 77 Cb 0.34 -3.92 -0.10 0.00 -0.61 0.00 0.00 39.78 35.49 1sq2 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1sq2 s ILE 78 N -3.55 0.07 0.36 2.41 -4.36 -1.26 -5.06 121.20 109.80 1sq2 s ILE 78 Ca 0.29 -0.54 -0.27 0.00 -0.26 0.00 0.00 60.65 59.87 1sq2 s ILE 78 Cb -0.08 -0.49 -0.09 0.00 1.25 0.00 0.00 42.46 43.05 1sq2 s ILE 78 CO 0.82 -0.30 1.19 -2.16 0.24 0.00 0.00 174.94 174.74 1sq2 s PRO 79 N -1.20 4.24 0.54 0.37 0.04 -1.26 -0.99 135.00 136.73 1sq2 s PRO 79 Ca -0.13 1.93 0.24 0.00 0.04 0.00 0.00 61.00 63.08 1sq2 s PRO 79 Cb -0.06 -2.87 1.40 0.00 0.04 0.00 0.00 34.50 33.00 1sq2 s PRO 79 CO 0.02 -0.19 2.04 0.00 0.04 0.00 0.00 177.00 178.92 1sq2 h SER 81 N 0.00 0.00 0.43 0.00 4.64 -1.91 -0.64 113.55 116.07 1sq2 h SER 81 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1sq2 h SER 81 Cb 0.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1sq2 h SER 81 CO -0.00 0.05 -0.07 0.00 -0.87 0.00 0.00 176.83 175.94 1sq2 h ALA 82 N 1.95 1.17 -0.00 5.18 0.00 -1.47 -1.91 119.26 124.17 1sq2 h ALA 82 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sq2 h ALA 82 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sq2 h ALA 82 CO 0.01 0.09 -0.04 1.28 0.00 0.00 0.00 179.25 180.58 1sq2 n LEU 83 N -3.41 0.52 -3.16 0.00 4.77 -0.25 -4.34 117.00 111.13 1sq2 n LEU 83 Ca -0.02 -0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.57 1sq2 n LEU 83 Cb 0.22 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1sq2 n LEU 83 CO 0.27 0.09 0.39 0.18 -1.33 0.00 0.00 177.39 177.00 1sq2 n LEU 84 N -0.74 4.95 -4.01 2.23 4.77 -0.72 -3.87 117.00 119.62 1sq2 n LEU 84 Ca 0.19 -5.59 -0.10 0.00 -0.03 0.00 0.00 56.01 50.48 1sq2 n LEU 84 Cb 0.24 -0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 1sq2 n LEU 84 CO 0.20 2.24 -0.37 -0.55 -1.33 0.00 0.00 177.39 177.59 1sq2 s SER 85 N -2.93 0.41 0.39 -1.43 0.15 -1.25 -4.88 113.70 104.16 1sq2 s SER 85 Ca 0.45 -0.56 0.28 0.00 0.70 0.00 0.00 55.95 56.83 1sq2 s SER 85 Cb 0.24 0.09 1.16 0.00 -1.71 0.00 0.00 66.02 65.80 1sq2 s SER 85 CO -0.11 -0.31 1.84 0.77 1.20 0.00 0.00 173.24 176.63 1sq2 h SER 86 N 4.47 0.00 -3.40 5.45 4.64 -1.94 -3.39 113.55 119.37 1sq2 h SER 86 Ca -0.33 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.39 1sq2 h SER 86 Cb 1.20 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.19 1sq2 h SER 86 CO 0.43 0.00 0.33 -0.62 -0.87 0.00 0.00 176.83 176.11 1sq2 s ASP 87 N -4.89 6.69 0.00 4.97 -1.08 -1.26 -4.96 116.67 116.14 1sq2 s ASP 87 Ca 0.03 0.80 0.17 0.00 -0.52 0.00 0.00 52.55 53.03 1sq2 s ASP 87 Cb 0.09 -2.39 0.71 0.00 -1.46 0.00 0.00 42.92 39.87 1sq2 s ASP 87 CO 0.46 -0.49 1.50 2.30 0.52 0.00 0.00 175.17 179.46 1sq2 n ILE 88 N 5.31 0.19 0.01 4.11 -5.35 -1.26 -4.48 119.36 117.90 1sq2 n ILE 88 Ca 0.03 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.13 1sq2 n ILE 88 Cb 0.48 0.18 -0.04 0.00 -1.74 0.00 0.00 39.64 38.52 1sq2 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1sq2 h THR 89 N 1.55 0.34 -0.75 7.28 2.02 -1.93 0.48 112.91 121.89 1sq2 h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1sq2 h THR 89 Cb 0.34 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1sq2 h THR 89 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 1sq2 h ALA 90 N 0.48 1.07 -0.42 6.16 0.00 -1.82 -0.46 119.26 124.26 1sq2 h ALA 90 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sq2 h ALA 90 Cb 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1sq2 h ALA 90 CO -0.32 0.65 0.20 0.77 0.00 0.00 0.00 179.25 180.55 1sq2 h SER 91 N 1.10 0.56 -0.43 0.00 0.02 -1.64 -1.51 113.55 111.65 1sq2 h SER 91 Ca 0.25 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1sq2 h SER 91 Cb 0.24 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1sq2 h SER 91 CO -0.02 0.53 0.21 0.58 -1.14 0.00 0.00 176.83 177.00 1sq2 h VAL 92 N 0.54 1.18 -0.46 2.27 2.07 -0.60 -0.60 116.25 120.64 1sq2 h VAL 92 Ca 0.14 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1sq2 h VAL 92 Cb 0.13 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1sq2 h VAL 92 CO -0.02 0.20 0.05 0.78 0.02 0.00 0.00 177.57 178.60 1sq2 h ASN 93 N 0.56 0.69 -0.30 0.57 2.35 -0.94 -0.10 115.58 118.40 1sq2 h ASN 93 Ca 0.15 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1sq2 h ASN 93 Cb 0.12 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1sq2 h ASN 93 CO -0.02 0.72 -0.26 0.00 -1.65 0.00 0.00 177.43 176.22 1sq2 h ALA 95 N 0.73 1.02 -0.95 0.00 0.00 -0.66 0.37 119.26 119.77 1sq2 h ALA 95 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sq2 h ALA 95 Cb 0.82 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1sq2 h ALA 95 CO 0.07 0.29 0.58 0.87 0.00 0.00 0.00 179.25 181.07 1sq2 h LYS 96 N 0.96 1.28 -0.08 0.00 1.57 -0.87 -0.20 116.57 119.22 1sq2 h LYS 96 Ca 0.31 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1sq2 h LYS 96 Cb 0.02 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1sq2 h LYS 96 CO -0.12 0.88 0.00 -0.22 -0.57 0.00 0.00 179.45 179.43 1sq2 h LYS 97 N 1.30 0.13 0.13 3.15 3.64 -0.87 -2.79 116.57 121.26 1sq2 h LYS 97 Ca 0.34 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1sq2 h LYS 97 Cb -0.08 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1sq2 h LYS 97 CO -0.07 0.38 -0.15 0.82 -2.27 0.00 0.00 179.45 178.17 1sq2 h ILE 98 N -0.14 0.67 0.00 2.00 2.04 -0.62 -2.99 117.51 118.47 1sq2 h ILE 98 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1sq2 h ILE 98 Cb 0.32 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1sq2 h ILE 98 CO 0.00 0.00 -0.05 1.62 0.00 0.00 0.00 178.15 179.73 1sq2 h VAL 99 N -0.31 0.20 0.00 1.67 3.04 -1.07 -2.91 116.25 116.86 1sq2 h VAL 99 Ca 0.01 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1sq2 h VAL 99 Cb 0.30 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1sq2 h VAL 99 CO -0.05 0.05 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 1sq2 n SER 100 N -3.27 0.00 -1.42 3.17 7.64 -1.06 -4.28 113.62 114.41 1sq2 n SER 100 Ca -0.01 -1.18 -0.03 0.00 1.01 0.00 0.00 58.87 58.66 1sq2 n SER 100 Cb 0.22 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1sq2 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1sq2 n ASP 101 N -0.86 -0.38 0.00 6.43 2.03 -1.10 -5.07 116.55 117.61 1sq2 n ASP 101 Ca 0.16 -1.39 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1sq2 n ASP 101 Cb 0.07 0.66 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 1sq2 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sq2 n GLY 102 N -0.12 2.95 1.93 0.27 0.00 -1.26 -2.84 105.19 106.12 1sq2 n GLY 102 Ca -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1sq2 n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sq2 n ASN 103 N 3.57 4.25 0.00 1.61 6.94 -1.26 -5.04 115.26 125.32 1sq2 n ASN 103 Ca 0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 54.58 51.18 1sq2 n ASN 103 Cb 0.00 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 36.67 1sq2 n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sq2 n GLY 104 N -0.56 3.14 0.00 4.83 0.00 -1.13 -1.86 105.19 109.62 1sq2 n GLY 104 Ca 0.45 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1sq2 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sq2 n MET 105 N 14.00 0.17 0.21 1.61 2.81 -1.26 -2.44 117.12 132.21 1sq2 n MET 105 Ca 0.00 0.15 0.14 0.00 -1.81 0.00 0.00 57.70 56.18 1sq2 n MET 105 Cb 0.00 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 31.75 1sq2 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1sq2 h ASN 106 N 0.00 0.00 -0.03 7.83 2.35 -1.80 -1.07 115.58 122.86 1sq2 h ASN 106 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1sq2 h ASN 106 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1sq2 h ASN 106 CO 0.00 0.00 0.14 0.00 -1.65 0.00 0.00 177.43 175.92 1sq2 h ALA 107 N 2.01 1.27 -2.62 -0.83 0.00 -1.66 -3.34 119.26 114.10 1sq2 h ALA 107 Ca 0.00 -0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1sq2 h ALA 107 Cb 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.54 1sq2 h ALA 107 CO 0.00 -0.15 -0.40 -1.58 0.00 0.00 0.00 179.25 177.12 1sq2 s TRP 108 N -4.25 3.37 0.42 0.00 0.51 -0.41 -4.97 118.94 113.61 1sq2 s TRP 108 Ca -0.04 -1.63 0.13 0.00 -2.12 0.00 0.00 56.10 52.43 1sq2 s TRP 108 Cb 0.12 -3.30 0.89 0.00 -0.81 0.00 0.00 33.47 30.37 1sq2 s TRP 108 CO 0.40 -0.93 1.93 0.28 -0.51 0.00 0.00 176.95 178.12 1sq2 h VAL 109 N 6.07 1.18 -0.13 4.03 2.07 -1.83 -1.22 116.25 126.41 1sq2 h VAL 109 Ca -0.23 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1sq2 h VAL 109 Cb 1.08 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1sq2 h VAL 109 CO 0.84 0.24 -0.31 0.00 0.02 0.00 0.00 177.57 178.36 1sq2 h ALA 110 N 1.74 1.24 -0.20 1.67 0.00 -1.93 -0.56 119.26 121.22 1sq2 h ALA 110 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1sq2 h ALA 110 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sq2 h ALA 110 CO 0.03 0.51 0.11 2.35 0.00 0.00 0.00 179.25 182.25 1sq2 h TRP 111 N 0.22 0.20 -1.00 0.00 7.01 -1.54 0.43 115.95 121.28 1sq2 h TRP 111 Ca 0.03 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.09 1sq2 h TRP 111 Cb 0.66 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.60 1sq2 h TRP 111 CO 0.01 0.12 0.65 0.00 -2.79 0.00 0.00 178.44 176.43 1sq2 h ARG 112 N 0.23 1.16 0.08 2.65 3.08 -0.65 0.14 114.38 121.07 1sq2 h ARG 112 Ca 0.08 -0.07 -0.30 0.00 0.07 0.00 0.00 59.98 59.76 1sq2 h ARG 112 Cb 0.01 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 1sq2 h ARG 112 CO -0.05 0.77 -1.58 -0.97 -1.07 0.00 0.00 179.97 177.07 1sq2 h ASN 113 N 1.20 0.25 0.00 7.04 -1.24 -1.00 -3.38 115.58 118.45 1sq2 h ASN 113 Ca 0.42 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1sq2 h ASN 113 Cb 0.11 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1sq2 h ASN 113 CO -0.16 1.34 -0.47 0.54 -1.29 0.00 0.00 177.43 177.39 1sq2 n ARG 114 N -3.34 4.06 -0.00 6.67 5.12 0.13 -4.86 116.66 124.43 1sq2 n ARG 114 Ca -0.17 -0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 55.73 1sq2 n ARG 114 Cb 1.03 -0.87 -0.00 0.00 -1.16 0.00 0.00 32.46 31.46 1sq2 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sq2 n LYS 116 N -3.02 2.56 -0.51 0.00 4.81 0.36 -1.59 118.16 120.77 1sq2 n LYS 116 Ca -0.02 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1sq2 n LYS 116 Cb 0.51 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1sq2 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sq2 n GLY 117 N 3.47 0.80 3.94 3.14 0.00 -1.26 -4.90 105.19 110.38 1sq2 n GLY 117 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1sq2 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sq2 s THR 118 N -3.04 1.84 -1.28 2.61 -4.23 -0.62 -5.02 115.64 105.90 1sq2 s THR 118 Ca 0.00 -1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 59.00 1sq2 s THR 118 Cb 0.00 -2.19 0.10 0.00 1.34 0.00 0.00 72.50 71.75 1sq2 s THR 118 CO 0.00 0.00 1.67 -0.67 -0.54 0.00 0.00 174.62 175.08 1sq2 n ASP 119 N -1.88 4.98 0.26 3.99 2.03 -1.26 -4.80 116.55 119.87 1sq2 n ASP 119 Ca 0.03 -2.94 0.13 0.00 0.52 0.00 0.00 54.79 52.54 1sq2 n ASP 119 Cb 0.63 -1.68 0.68 0.00 -0.72 0.00 0.00 41.12 40.03 1sq2 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1sq2 h VAL 120 N 5.14 0.46 -0.70 5.18 -1.51 -1.92 -1.99 116.25 120.91 1sq2 h VAL 120 Ca 0.41 -0.67 0.20 0.00 -1.23 0.00 0.00 66.70 65.41 1sq2 h VAL 120 Cb 0.85 1.46 -0.03 0.00 -2.13 0.00 0.00 31.29 31.44 1sq2 h VAL 120 CO 1.42 0.13 0.50 1.56 -1.23 0.00 0.00 177.57 179.95 1sq2 h GLN 121 N 0.00 0.04 -1.11 5.19 4.20 -1.89 -0.43 115.11 121.12 1sq2 h GLN 121 Ca -0.00 -0.00 0.31 0.00 0.06 0.00 0.00 58.65 59.02 1sq2 h GLN 121 Cb 0.45 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 1sq2 h GLN 121 CO 0.02 0.03 0.78 0.00 -0.67 0.00 0.00 178.83 178.98 1sq2 h ALA 122 N 1.65 2.85 0.00 3.87 0.00 -1.77 -0.87 119.26 125.00 1sq2 h ALA 122 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1sq2 h ALA 122 Cb 1.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1sq2 h ALA 122 CO -0.02 -1.20 0.00 -1.49 0.00 0.00 0.00 179.25 176.54 1sq2 h TRP 123 N 0.10 0.00 -0.09 0.00 4.06 -1.28 -2.89 115.95 115.85 1sq2 h TRP 123 Ca 0.56 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.51 1sq2 h TRP 123 Cb 2.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.16 1sq2 h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1sq2 n ILE 124 N -2.45 0.43 -1.80 1.49 -5.35 -0.37 -4.83 119.36 106.48 1sq2 n ILE 124 Ca 0.02 -0.71 -0.42 0.00 -0.27 0.00 0.00 62.75 61.37 1sq2 n ILE 124 Cb 0.27 0.86 -0.02 0.00 -1.74 0.00 0.00 39.64 39.01 1sq2 n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1sq2 s ARG 125 N -0.72 4.14 0.00 6.28 3.52 -0.94 -2.18 118.95 129.05 1sq2 s ARG 125 Ca 0.09 2.54 0.00 0.00 -0.13 0.00 0.00 55.73 58.23 1sq2 s ARG 125 Cb 0.06 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1sq2 s ARG 125 CO 0.08 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 1sq2 n GLY 126 N 2.63 0.77 3.90 8.12 0.00 -1.26 -5.03 105.19 114.32 1sq2 n GLY 126 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1sq2 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq2 s ARG 128 N -2.31 3.10 0.00 0.00 0.52 -1.26 -5.12 118.95 113.88 1sq2 s ARG 128 Ca 0.34 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1sq2 s ARG 128 Cb -0.13 -4.07 0.00 0.00 0.52 0.00 0.00 34.95 31.28 1sq2 s ARG 128 CO 0.23 -1.09 0.37 1.28 0.02 0.00 0.00 175.30 176.10