#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2war s VAL 2 N 0.00 5.26 0.45 3.15 1.01 -1.26 0.21 120.40 129.22 2war s VAL 2 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 2war s VAL 2 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2war s VAL 2 CO 0.00 -0.01 0.95 -0.36 0.00 0.00 0.00 175.10 175.67 2war s PHE 3 N 1.79 3.36 0.65 5.22 0.40 0.16 -4.99 117.98 124.56 2war s PHE 3 Ca 0.07 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 57.83 2war s PHE 3 Cb -0.17 -2.81 -0.02 0.00 0.51 0.00 0.00 43.02 40.53 2war s PHE 3 CO 0.11 -0.18 1.04 0.20 0.70 0.00 0.00 175.22 177.10 2war s GLY 4 N -2.46 1.66 0.09 4.36 0.00 -1.26 -4.84 107.32 104.87 2war s GLY 4 Ca 0.61 -0.05 -0.32 0.00 0.00 0.00 0.00 44.72 44.96 2war s GLY 4 CO 0.19 0.24 1.61 -0.09 0.00 0.00 0.00 173.10 175.05 2war h ARG 5 N -0.47 -0.78 -0.07 2.90 2.43 -1.98 0.25 114.38 116.66 2war h ARG 5 Ca -0.44 0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.66 2war h ARG 5 Cb 1.20 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2war h ARG 5 CO 0.60 -0.52 -0.51 0.00 -1.51 0.00 0.00 179.97 178.03 2war h GLU 7 N 0.15 0.13 -0.26 0.00 4.81 -1.93 0.17 114.58 117.65 2war h GLU 7 Ca 0.00 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2war h GLU 7 Cb 0.96 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2war h GLU 7 CO 0.08 0.08 -0.05 1.25 -0.73 0.00 0.00 179.01 179.64 2war h LEU 8 N 0.13 0.49 -0.66 1.64 5.85 -0.78 -1.98 115.31 120.00 2war h LEU 8 Ca 0.15 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.61 2war h LEU 8 Cb 0.18 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 2war h LEU 8 CO -0.22 0.74 0.27 0.00 -0.34 0.00 0.00 178.44 178.89 2war h ALA 9 N 0.77 0.88 -0.58 1.25 0.00 -0.88 0.16 119.26 120.86 2war h ALA 9 Ca 0.07 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2war h ALA 9 Cb 0.52 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2war h ALA 9 CO 0.02 -0.16 0.16 0.00 0.00 0.00 0.00 179.25 179.28 2war h ALA 10 N 1.44 0.76 -0.30 0.00 0.00 -0.58 0.54 119.26 121.12 2war h ALA 10 Ca 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2war h ALA 10 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2war h ALA 10 CO -0.31 0.45 0.09 0.00 0.00 0.00 0.00 179.25 179.48 2war h ALA 11 N 1.04 0.40 -0.83 0.00 0.00 -0.76 0.49 119.26 119.59 2war h ALA 11 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2war h ALA 11 Cb 0.32 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2war h ALA 11 CO -0.00 0.04 0.43 0.52 0.00 0.00 0.00 179.25 180.24 2war h MET 12 N 0.33 1.18 -0.16 0.00 2.86 -0.55 -1.33 114.93 117.26 2war h MET 12 Ca 0.10 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2war h MET 12 Cb 0.26 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2war h MET 12 CO -0.00 0.89 0.03 -0.22 1.06 0.00 0.00 176.91 178.67 2war h LYS 13 N 1.17 0.26 -0.92 1.72 3.64 -0.70 -0.52 116.57 121.21 2war h LYS 13 Ca 0.29 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 2war h LYS 13 Cb 0.08 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 2war h LYS 13 CO -0.04 0.43 0.60 -0.09 -2.27 0.00 0.00 179.45 178.08 2war h ARG 14 N 0.05 0.95 -0.12 1.90 2.43 -0.76 -0.48 114.38 118.35 2war h ARG 14 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2war h ARG 14 Cb 0.30 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2war h ARG 14 CO 0.00 0.63 0.00 0.72 -1.51 0.00 0.00 179.97 179.81 2war n HIS 15 N -4.52 0.16 -0.67 2.20 8.25 -0.51 -4.94 115.22 115.18 2war n HIS 15 Ca 0.15 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2war n HIS 15 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2war n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2war n GLY 16 N 0.88 0.59 0.17 -1.41 0.00 -0.19 -4.96 105.19 100.28 2war n GLY 16 Ca 0.11 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.50 2war n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2war h LEU 17 N 0.00 0.00 -9.18 0.99 3.38 -1.30 -3.40 115.31 105.80 2war h LEU 17 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2war h LEU 17 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2war h LEU 17 CO 0.00 0.13 1.22 -0.62 0.09 0.00 0.00 178.44 179.26 2war s ASP 18 N -6.04 6.29 -1.89 -0.43 2.15 -1.26 -1.26 116.67 114.22 2war s ASP 18 Ca 0.04 2.15 0.00 0.00 0.43 0.00 0.00 52.55 55.17 2war s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2war s ASP 18 CO 0.72 -1.25 0.00 0.59 -0.17 0.00 0.00 175.17 175.06 2war n ASN 19 N 8.48 -5.20 -4.68 -0.34 5.03 -0.44 -4.88 115.26 113.22 2war n ASN 19 Ca 0.21 0.40 -0.42 0.00 0.87 0.00 0.00 54.58 55.64 2war n ASN 19 Cb 0.43 -4.30 -0.03 0.00 -1.02 0.00 0.00 39.78 34.87 2war n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2war s TYR 20 N -2.70 2.51 -1.22 3.10 5.04 -0.39 -1.25 117.35 122.45 2war s TYR 20 Ca 0.00 0.53 -0.07 0.00 -2.44 0.00 0.00 57.07 55.09 2war s TYR 20 Cb 0.00 -3.80 0.06 0.00 0.35 0.00 0.00 41.96 38.56 2war s TYR 20 CO 0.00 -3.16 0.39 0.54 -1.34 0.00 0.00 175.55 171.99 2war n ARG 21 N 5.93 -3.22 -0.99 4.97 5.12 -1.26 -2.11 116.66 125.10 2war n ARG 21 Ca 0.15 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 2war n ARG 21 Cb 0.43 -5.18 0.00 0.00 -1.16 0.00 0.00 32.46 26.55 2war n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2war n GLY 22 N -1.10 0.61 3.43 -0.13 0.00 -0.38 -4.99 105.19 102.63 2war n GLY 22 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 2war n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2war s TYR 23 N -2.51 3.07 0.81 1.61 2.02 -0.90 -4.89 117.35 116.56 2war s TYR 23 Ca 0.00 -0.67 -0.14 0.00 -0.37 0.00 0.00 57.07 55.89 2war s TYR 23 Cb 0.00 -3.57 0.03 0.00 -0.40 0.00 0.00 41.96 38.02 2war s TYR 23 CO 0.00 -1.04 0.81 -1.13 -1.57 0.00 0.00 175.55 172.62 2war n SER 24 N 6.06 -0.38 -0.14 2.29 3.41 -1.26 -1.33 113.62 122.27 2war n SER 24 Ca -0.08 0.53 0.17 0.00 -0.26 0.00 0.00 58.87 59.24 2war n SER 24 Cb 0.45 -1.35 0.55 0.00 -0.26 0.00 0.00 64.21 63.60 2war n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2war h LEU 25 N -0.87 0.29 -1.50 1.04 5.85 -1.90 -1.67 115.31 116.55 2war h LEU 25 Ca -0.45 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2war h LEU 25 Cb 1.31 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2war h LEU 25 CO 0.42 0.15 0.16 1.23 -0.34 0.00 0.00 178.44 180.06 2war h GLY 26 N 0.31 0.52 0.79 3.75 0.00 -1.89 -1.92 103.07 104.64 2war h GLY 26 Ca 0.36 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.50 2war h GLY 26 CO -0.09 0.22 0.42 3.43 0.00 0.00 0.00 176.54 180.52 2war h ASN 27 N 0.49 0.67 -0.32 0.19 2.35 -1.52 -0.99 115.58 116.45 2war h ASN 27 Ca 0.12 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 2war h ASN 27 Cb 0.08 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 2war h ASN 27 CO -0.02 0.45 -0.41 -0.50 -1.65 0.00 0.00 177.43 175.30 2war h TRP 28 N 0.81 1.04 -0.38 1.19 4.06 -1.48 -1.31 115.95 119.88 2war h TRP 28 Ca 0.30 -0.33 -0.05 0.00 2.06 0.00 0.00 58.89 60.86 2war h TRP 28 Cb 0.09 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 2war h TRP 28 CO -0.05 1.14 0.04 0.28 -3.56 0.00 0.00 178.44 176.30 2war h VAL 29 N 0.64 1.25 -0.23 1.49 2.07 -1.40 -1.85 116.25 118.22 2war h VAL 29 Ca 0.04 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2war h VAL 29 Cb 1.01 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2war h VAL 29 CO 0.10 0.30 0.10 0.00 0.02 0.00 0.00 177.57 178.09 2war h ALA 31 N 1.12 0.12 -0.96 0.00 0.00 -1.19 -2.78 119.26 115.57 2war h ALA 31 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2war h ALA 31 Cb 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2war h ALA 31 CO -0.08 -0.46 0.62 0.00 0.00 0.00 0.00 179.25 179.33 2war h ALA 32 N 1.14 1.27 0.14 0.00 0.00 -1.12 -1.13 119.26 119.57 2war h ALA 32 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2war h ALA 32 Cb 0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2war h ALA 32 CO -0.14 0.65 -0.22 -0.22 0.00 0.00 0.00 179.25 179.33 2war h LYS 33 N 1.31 -0.41 0.00 0.00 1.63 -1.16 -0.86 116.57 117.09 2war h LYS 33 Ca 0.35 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.08 2war h LYS 33 Cb -0.12 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2war h LYS 33 CO -0.07 -0.27 -0.49 0.74 -3.45 0.00 0.00 179.45 175.91 2war h PHE 34 N -0.43 0.00 0.10 1.91 0.04 -1.32 -0.21 116.94 117.03 2war h PHE 34 Ca 0.02 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.63 2war h PHE 34 Cb 0.43 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.60 2war h PHE 34 CO -0.19 0.49 -0.68 1.96 -0.60 0.00 0.00 178.31 179.29 2war h GLN 35 N 0.00 0.27 0.00 1.51 1.08 -1.15 -3.42 115.11 113.40 2war h GLN 35 Ca -0.00 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2war h GLN 35 Cb 1.28 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2war h GLN 35 CO 0.06 1.19 0.00 -1.13 -0.95 0.00 0.00 178.83 178.00 2war n SER 36 N -4.21 0.35 -3.15 1.46 3.41 -0.34 -4.85 113.62 106.28 2war n SER 36 Ca -0.13 -0.68 -0.23 0.00 -0.26 0.00 0.00 58.87 57.57 2war n SER 36 Cb 0.76 0.31 0.02 0.00 -0.26 0.00 0.00 64.21 65.04 2war n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2war n ASN 37 N -0.31 -5.35 -1.25 4.04 5.15 -0.09 -2.23 115.26 115.21 2war n ASN 37 Ca 0.00 -0.33 -0.16 0.00 -0.60 0.00 0.00 54.58 53.49 2war n ASN 37 Cb 0.04 -4.35 -0.07 0.00 -0.53 0.00 0.00 39.78 34.88 2war n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2war n PHE 38 N -4.34 -0.01 -3.55 1.20 3.72 -1.21 -4.83 117.46 108.43 2war n PHE 38 Ca -0.08 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.92 2war n PHE 38 Cb 0.59 -2.82 -0.11 0.00 -0.94 0.00 0.00 39.48 36.20 2war n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2war s ASN 39 N -2.82 5.97 0.54 4.37 3.84 -0.95 -0.67 114.94 125.22 2war s ASN 39 Ca 0.00 -0.41 0.28 0.00 0.21 0.00 0.00 52.86 52.94 2war s ASN 39 Cb 0.00 -2.11 1.53 0.00 -0.55 0.00 0.00 41.25 40.12 2war s ASN 39 CO 0.00 -0.22 2.11 0.71 -2.79 0.00 0.00 177.10 176.91 2war h THR 40 N 5.51 0.53 -0.01 -5.21 1.35 -0.56 -2.82 112.91 111.70 2war h THR 40 Ca -0.32 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2war h THR 40 Cb 1.16 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2war h THR 40 CO 0.62 0.09 -0.00 0.00 -0.25 0.00 0.00 175.52 175.98 2war n GLN 41 N -3.64 1.43 -1.69 4.72 6.02 -1.26 -3.99 117.38 118.97 2war n GLN 41 Ca -0.02 -0.64 -0.44 0.00 -0.01 0.00 0.00 57.00 55.90 2war n GLN 41 Cb 0.21 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 2war n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2war n ALA 42 N -0.23 1.61 -2.65 -1.58 0.00 -1.06 -4.78 120.51 111.82 2war n ALA 42 Ca 0.21 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.95 2war n ALA 42 Cb 0.27 -2.35 -0.11 0.00 0.00 0.00 0.00 19.45 17.27 2war n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2war s THR 43 N 0.09 0.38 -0.09 0.00 -4.23 -1.26 -0.83 115.64 109.71 2war s THR 43 Ca 0.68 -1.30 -0.15 0.00 -1.18 0.00 0.00 61.69 59.75 2war s THR 43 Cb -0.60 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 72.43 2war s THR 43 CO 0.48 -0.61 0.37 0.20 -0.54 0.00 0.00 174.62 174.51 2war s ASN 44 N -2.02 -0.33 -0.16 3.99 0.01 -0.90 -4.95 114.94 110.58 2war s ASN 44 Ca -0.05 0.49 -0.11 0.00 -0.71 0.00 0.00 52.86 52.48 2war s ASN 44 Cb -0.04 0.58 -0.05 0.00 0.41 0.00 0.00 41.25 42.15 2war s ASN 44 CO -0.03 -0.28 0.19 -0.60 -1.51 0.00 0.00 177.10 174.87 2war s ARG 45 N -0.48 4.06 0.41 -0.60 6.06 -1.26 -0.48 118.95 126.65 2war s ARG 45 Ca -0.06 -0.08 -0.03 0.00 -2.50 0.00 0.00 55.73 53.06 2war s ARG 45 Cb -0.04 -3.37 -0.04 0.00 0.06 0.00 0.00 34.95 31.57 2war s ARG 45 CO 0.02 0.39 0.67 -0.80 -2.50 0.00 0.00 175.30 173.09 2war s ASN 46 N 0.06 6.30 0.55 -2.12 0.01 0.10 -4.98 114.94 114.86 2war s ASN 46 Ca 0.13 0.73 0.22 0.00 -0.71 0.00 0.00 52.86 53.23 2war s ASN 46 Cb -0.12 -2.16 1.46 0.00 0.41 0.00 0.00 41.25 40.84 2war s ASN 46 CO 0.02 -0.43 2.14 0.71 -1.51 0.00 0.00 177.10 178.03 2war h THR 47 N 0.55 0.79 -0.00 1.60 1.35 -1.99 -0.87 112.91 114.34 2war h THR 47 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2war h THR 47 Cb 1.21 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2war h THR 47 CO 0.62 0.00 -0.08 -0.90 -0.25 0.00 0.00 175.52 174.91 2war n ASP 48 N -4.27 0.52 0.00 5.36 5.75 -1.26 -4.91 116.55 117.74 2war n ASP 48 Ca -0.00 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 2war n ASP 48 Cb 0.20 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2war n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2war n GLY 49 N 1.23 0.19 3.73 6.12 0.00 -0.33 -5.03 105.19 111.10 2war n GLY 49 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2war n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2war s SER 50 N -2.16 3.10 0.01 1.61 1.04 -1.26 -4.77 113.70 111.27 2war s SER 50 Ca 0.00 1.08 0.02 0.00 0.48 0.00 0.00 55.95 57.53 2war s SER 50 Cb 0.00 -1.70 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 2war s SER 50 CO 0.00 -2.82 -0.08 -0.89 0.98 0.00 0.00 173.24 170.43 2war s THR 51 N -3.12 0.58 -0.11 2.02 2.01 -1.26 -0.72 115.64 115.03 2war s THR 51 Ca 0.64 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 2war s THR 51 Cb -0.17 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 2war s THR 51 CO 0.55 -0.01 0.06 -1.81 -0.69 0.00 0.00 174.62 172.72 2war s ASP 52 N -0.63 5.70 -0.06 3.53 1.01 0.36 -0.45 116.67 126.13 2war s ASP 52 Ca -0.01 0.24 0.04 0.00 0.71 0.00 0.00 52.55 53.53 2war s ASP 52 Cb -0.05 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.12 2war s ASP 52 CO 0.00 0.35 -0.17 -0.31 0.21 0.00 0.00 175.17 175.26 2war s TYR 53 N -0.72 1.77 0.00 4.23 1.51 0.17 -2.12 117.35 122.20 2war s TYR 53 Ca 0.12 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 2war s TYR 53 Cb -0.12 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 2war s TYR 53 CO 0.03 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.63 2war n GLY 54 N 3.42 -2.06 0.26 0.71 0.00 -0.01 -1.75 105.19 105.75 2war n GLY 54 Ca -0.20 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.40 2war n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2war h ILE 55 N 0.00 0.92 -0.32 -0.61 2.10 -1.72 -1.10 117.51 116.78 2war h ILE 55 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 2war h ILE 55 Cb 0.00 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 2war h ILE 55 CO 0.00 0.07 0.00 0.18 -1.08 0.00 0.00 178.15 177.32 2war n LEU 56 N -4.26 3.49 -3.90 2.19 4.77 -1.26 -4.13 117.00 113.89 2war n LEU 56 Ca -0.03 -2.53 -0.35 0.00 -0.03 0.00 0.00 56.01 53.07 2war n LEU 56 Cb 0.15 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2war n LEU 56 CO 0.33 0.70 -0.16 0.00 -1.33 0.00 0.00 177.39 176.93 2war n GLN 57 N 0.03 -1.25 -2.60 3.23 1.13 -0.42 -4.87 117.38 112.63 2war n GLN 57 Ca 0.17 0.30 -0.42 0.00 -1.94 0.00 0.00 57.00 55.10 2war n GLN 57 Cb 0.68 -3.64 -0.03 0.00 0.11 0.00 0.00 30.24 27.37 2war n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2war s ILE 58 N -3.64 4.57 -0.13 5.09 1.01 -0.72 -4.44 121.20 122.94 2war s ILE 58 Ca 0.36 1.86 -0.27 0.00 0.00 0.00 0.00 60.65 62.60 2war s ILE 58 Cb -0.16 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 2war s ILE 58 CO 0.91 -0.00 0.91 0.21 0.00 0.00 0.00 174.94 176.97 2war s ASN 59 N 1.25 7.11 0.45 3.58 3.84 -1.26 -0.65 114.94 129.25 2war s ASN 59 Ca 0.51 1.36 0.31 0.00 0.21 0.00 0.00 52.86 55.25 2war s ASN 59 Cb -0.21 -2.50 1.46 0.00 -0.55 0.00 0.00 41.25 39.46 2war s ASN 59 CO 0.19 -0.39 1.94 0.77 -2.79 0.00 0.00 177.10 176.82 2war h SER 60 N 7.15 0.00 -0.89 -4.21 4.64 -1.02 -1.45 113.55 117.76 2war h SER 60 Ca -0.31 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.21 2war h SER 60 Cb 1.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.17 2war h SER 60 CO 0.84 0.00 0.59 -0.09 -0.87 0.00 0.00 176.83 177.30 2war h ARG 61 N 0.00 0.36 0.00 4.77 9.65 -1.84 -3.37 114.38 123.94 2war h ARG 61 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2war h ARG 61 Cb 0.26 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 2war h ARG 61 CO 0.00 0.24 -0.83 0.91 2.80 0.00 0.00 179.97 183.09 2war n TRP 62 N -4.49 0.00 -0.01 2.20 7.02 -0.91 -1.50 117.44 119.74 2war n TRP 62 Ca 0.19 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.69 2war n TRP 62 Cb 0.71 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.55 2war n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2war n TRP 63 N -2.19 0.00 -3.98 -5.99 7.02 -0.60 -1.60 117.44 110.10 2war n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2war n TRP 63 Cb 0.42 -0.18 -0.08 0.00 -2.42 0.00 0.00 31.31 29.04 2war n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2war s ASN 65 N -2.95 5.26 0.00 0.00 2.47 -0.53 -4.59 114.94 114.60 2war s ASN 65 Ca 0.14 -0.08 0.01 0.00 0.42 0.00 0.00 52.86 53.34 2war s ASN 65 Cb 0.05 -1.91 0.01 0.00 -1.45 0.00 0.00 41.25 37.95 2war s ASN 65 CO -0.04 0.08 0.74 -0.90 -3.72 0.00 0.00 177.10 173.26 2war n ASP 66 N 4.15 1.49 0.00 -4.21 5.68 -1.26 -0.81 116.55 121.59 2war n ASP 66 Ca -0.16 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2war n ASP 66 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2war n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2war n GLY 67 N -0.19 0.25 1.27 6.12 0.00 -1.26 -4.80 105.19 106.58 2war n GLY 67 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2war n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2war n ARG 68 N -0.91 0.00 -3.40 1.61 1.85 -1.26 -4.92 116.66 109.63 2war n ARG 68 Ca 0.00 -1.66 -0.26 0.00 -1.00 0.00 0.00 57.85 54.93 2war n ARG 68 Cb 0.24 0.03 -0.08 0.00 -1.05 0.00 0.00 32.46 31.59 2war n ARG 68 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2war n THR 69 N 0.34 1.15 -1.55 8.89 -1.04 -1.26 -4.84 114.28 115.97 2war n THR 69 Ca -0.01 -4.72 -0.49 0.00 -2.04 0.00 0.00 64.05 56.80 2war n THR 69 Cb 1.00 -2.04 -0.04 0.00 -1.82 0.00 0.00 70.33 67.43 2war n THR 69 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2war n PRO 70 N 1.24 0.93 -0.22 -2.82 -0.02 -1.26 -1.52 135.00 131.33 2war n PRO 70 Ca 0.26 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2war n PRO 70 Cb 0.44 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2war n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2war n GLY 71 N 1.87 1.41 3.91 -1.23 0.00 -1.26 -5.04 105.19 104.85 2war n GLY 71 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2war n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2war s SER 72 N -3.11 4.25 0.43 1.61 1.04 -0.58 -5.08 113.70 112.27 2war s SER 72 Ca 0.00 0.62 0.07 0.00 0.48 0.00 0.00 55.95 57.12 2war s SER 72 Cb 0.00 -1.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 2war s SER 72 CO 0.00 -2.04 0.35 -0.13 0.98 0.00 0.00 173.24 172.40 2war s ARG 73 N -5.60 2.44 -0.41 4.02 0.52 -0.56 -4.98 118.95 114.38 2war s ARG 73 Ca 0.64 -1.65 0.10 0.00 -0.52 0.00 0.00 55.73 54.30 2war s ARG 73 Cb -0.09 -2.27 0.32 0.00 0.52 0.00 0.00 34.95 33.42 2war s ARG 73 CO 0.49 -0.23 0.70 -1.71 0.02 0.00 0.00 175.30 174.57 2war n ASN 74 N -1.52 1.14 0.28 0.23 5.15 -1.17 -3.47 115.26 115.90 2war n ASN 74 Ca 0.02 -3.01 0.17 0.00 -0.60 0.00 0.00 54.58 51.16 2war n ASN 74 Cb 0.63 -0.62 0.67 0.00 -0.53 0.00 0.00 39.78 39.92 2war n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2war h LEU 75 N 3.31 0.00 -0.76 1.20 4.07 -1.25 -1.43 115.31 120.45 2war h LEU 75 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2war h LEU 75 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 2war h LEU 75 CO 0.53 0.00 -0.24 0.00 -1.08 0.00 0.00 178.44 177.65 2war n ASN 77 N -0.27 -3.98 -3.81 0.00 5.15 -0.54 -4.98 115.26 106.84 2war n ASN 77 Ca 0.13 -0.82 -0.12 0.00 -0.60 0.00 0.00 54.58 53.16 2war n ASN 77 Cb 0.39 -4.32 -0.09 0.00 -0.53 0.00 0.00 39.78 35.22 2war n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2war s ILE 78 N -3.50 0.06 0.29 -1.44 -4.36 -1.26 -5.08 121.20 105.91 2war s ILE 78 Ca 0.26 -0.52 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 2war s ILE 78 Cb -0.06 -0.51 -0.10 0.00 1.25 0.00 0.00 42.46 43.04 2war s ILE 78 CO 0.80 -0.29 1.33 -2.16 0.24 0.00 0.00 174.94 174.86 2war s PRO 79 N -1.20 4.36 0.42 0.37 0.05 -1.26 -1.46 135.00 136.27 2war s PRO 79 Ca -0.13 2.19 0.12 0.00 0.05 0.00 0.00 61.00 63.23 2war s PRO 79 Cb -0.06 -3.11 0.97 0.00 0.05 0.00 0.00 34.50 32.36 2war s PRO 79 CO 0.03 -0.23 1.96 0.00 0.05 0.00 0.00 177.00 178.81 2war h SER 81 N 0.48 0.00 0.05 0.00 4.64 -1.91 -0.91 113.55 115.90 2war h SER 81 Ca 0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2war h SER 81 Cb 0.54 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2war h SER 81 CO -0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.85 2war h ALA 82 N 1.85 1.55 0.00 5.18 0.00 -1.34 -1.67 119.26 124.83 2war h ALA 82 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2war h ALA 82 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2war h ALA 82 CO -0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2war n LEU 83 N -3.91 0.00 -0.82 0.00 4.77 -0.34 -2.94 117.00 113.75 2war n LEU 83 Ca -0.03 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.19 2war n LEU 83 Cb 0.10 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2war n LEU 83 CO 0.29 -0.01 0.55 0.18 -1.33 0.00 0.00 177.39 177.07 2war n LEU 84 N -1.13 2.70 -4.74 2.23 4.77 -0.63 -4.03 117.00 116.17 2war n LEU 84 Ca 0.19 -0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 54.87 2war n LEU 84 Cb 0.16 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.33 2war n LEU 84 CO 0.19 0.46 0.76 -0.55 -1.33 0.00 0.00 177.39 176.93 2war s SER 85 N -1.93 4.50 0.50 -1.43 0.15 -1.15 -4.23 113.70 110.11 2war s SER 85 Ca 0.24 2.18 0.28 0.00 0.70 0.00 0.00 55.95 59.35 2war s SER 85 Cb 0.18 -2.57 1.28 0.00 -1.71 0.00 0.00 66.02 63.20 2war s SER 85 CO 0.32 -2.05 1.98 0.77 1.20 0.00 0.00 173.24 175.46 2war h SER 86 N -0.29 0.00 -3.40 5.45 4.64 -1.94 -3.40 113.55 114.61 2war h SER 86 Ca -0.47 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.25 2war h SER 86 Cb 1.27 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 2war h SER 86 CO 0.51 0.14 0.49 -0.62 -0.87 0.00 0.00 176.83 176.48 2war s ASP 87 N -6.06 6.73 0.00 4.97 -1.08 -1.26 -4.96 116.67 115.02 2war s ASP 87 Ca -0.01 0.77 0.10 0.00 -0.52 0.00 0.00 52.55 52.88 2war s ASP 87 Cb 0.11 -2.44 0.34 0.00 -1.46 0.00 0.00 42.92 39.47 2war s ASP 87 CO 0.59 -0.66 1.26 2.30 0.52 0.00 0.00 175.17 179.18 2war n ILE 88 N 5.57 0.30 -0.01 4.11 -5.35 -1.26 -4.35 119.36 118.37 2war n ILE 88 Ca 0.05 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.12 2war n ILE 88 Cb 0.48 0.17 -0.03 0.00 -1.74 0.00 0.00 39.64 38.52 2war n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2war h THR 89 N 1.48 0.45 -0.51 7.28 2.02 -1.94 0.28 112.91 121.96 2war h THR 89 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2war h THR 89 Cb 0.34 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 2war h THR 89 CO 0.00 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.08 2war h ALA 90 N 0.73 0.63 -0.54 6.16 0.00 -1.87 0.02 119.26 124.40 2war h ALA 90 Ca 0.11 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2war h ALA 90 Cb 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2war h ALA 90 CO -0.32 -0.20 0.11 0.77 0.00 0.00 0.00 179.25 179.61 2war h SER 91 N 0.38 0.84 -0.29 0.00 0.02 -1.64 -1.32 113.55 111.55 2war h SER 91 Ca 0.24 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2war h SER 91 Cb 0.25 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2war h SER 91 CO -0.24 0.88 -0.14 0.58 -1.14 0.00 0.00 176.83 176.77 2war h VAL 92 N 0.78 1.29 -0.91 2.27 2.07 -0.65 0.12 116.25 121.23 2war h VAL 92 Ca 0.17 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2war h VAL 92 Cb 0.38 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2war h VAL 92 CO 0.01 0.39 0.51 0.78 0.02 0.00 0.00 177.57 179.27 2war h ASN 93 N 0.35 1.13 -0.34 0.57 -0.26 -0.96 -1.47 115.58 114.60 2war h ASN 93 Ca 0.07 -0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.60 2war h ASN 93 Cb 0.65 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 2war h ASN 93 CO 0.04 0.90 -0.23 0.00 -1.06 0.00 0.00 177.43 177.08 2war h ALA 95 N 0.77 1.72 -0.89 0.00 0.00 -0.27 -1.53 119.26 119.07 2war h ALA 95 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2war h ALA 95 Cb 0.79 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2war h ALA 95 CO 0.06 0.16 0.49 0.87 0.00 0.00 0.00 179.25 180.83 2war h LYS 96 N 0.74 1.23 -0.34 0.00 1.57 -1.23 -1.01 116.57 117.54 2war h LYS 96 Ca 0.32 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2war h LYS 96 Cb 0.30 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2war h LYS 96 CO -0.11 0.89 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.34 2war h LYS 97 N 1.24 0.68 -0.13 3.15 3.64 -1.32 -3.01 116.57 120.82 2war h LYS 97 Ca 0.31 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2war h LYS 97 Cb 0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2war h LYS 97 CO -0.05 0.85 0.07 0.82 -2.27 0.00 0.00 179.45 178.87 2war h ILE 98 N 0.46 1.02 0.00 2.00 2.04 -0.68 -2.74 117.51 119.61 2war h ILE 98 Ca 0.08 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2war h ILE 98 Cb 0.61 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2war h ILE 98 CO 0.04 0.03 -0.06 1.62 0.00 0.00 0.00 178.15 179.78 2war h VAL 99 N 0.16 0.16 -0.02 1.67 3.04 -1.28 -1.53 116.25 118.44 2war h VAL 99 Ca 0.05 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2war h VAL 99 Cb -0.01 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2war h VAL 99 CO -0.02 0.06 0.00 -1.20 -1.01 0.00 0.00 177.57 175.39 2war n SER 100 N -3.19 1.22 -0.58 3.17 7.64 -1.05 -3.56 113.62 117.27 2war n SER 100 Ca 0.00 -1.42 0.08 0.00 1.01 0.00 0.00 58.87 58.54 2war n SER 100 Cb 0.33 -0.01 0.27 0.00 -1.01 0.00 0.00 64.21 63.79 2war n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2war n ASP 101 N -0.04 1.70 0.00 6.43 2.03 -0.58 -4.91 116.55 121.18 2war n ASP 101 Ca 0.20 -1.85 0.00 0.00 0.52 0.00 0.00 54.79 53.66 2war n ASP 101 Cb 0.30 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 2war n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2war n GLY 102 N 1.08 3.80 0.82 0.27 0.00 -1.26 -4.92 105.19 104.98 2war n GLY 102 Ca 0.14 -0.91 0.10 0.00 0.00 0.00 0.00 46.02 45.35 2war n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2war n ASN 103 N 0.00 2.44 0.00 1.61 3.02 -1.26 -5.03 115.26 116.04 2war n ASN 103 Ca 0.00 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 2war n ASN 103 Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2war n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2war n GLY 104 N 1.28 2.75 0.00 7.41 0.00 -1.23 -1.67 105.19 113.73 2war n GLY 104 Ca 0.17 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.99 2war n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2war n MET 105 N 13.93 0.86 0.22 1.61 2.81 -1.26 -3.10 117.12 132.18 2war n MET 105 Ca 0.00 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.04 2war n MET 105 Cb 0.00 -1.50 0.78 0.00 -0.71 0.00 0.00 33.22 31.79 2war n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2war h ASN 106 N 0.00 0.00 -0.45 7.83 2.35 -1.73 -1.52 115.58 122.06 2war h ASN 106 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 2war h ASN 106 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2war h ASN 106 CO 0.00 0.00 0.32 0.00 -1.65 0.00 0.00 177.43 176.10 2war h ALA 107 N 1.98 2.31 -2.03 -0.83 0.00 -1.71 -3.36 119.26 115.61 2war h ALA 107 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 2war h ALA 107 Cb 0.02 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 2war h ALA 107 CO 0.00 -0.43 0.26 -1.58 0.00 0.00 0.00 179.25 177.50 2war s TRP 108 N -5.10 2.97 0.26 0.00 0.51 -0.57 -4.94 118.94 112.07 2war s TRP 108 Ca -0.06 -0.18 -0.04 0.00 -2.12 0.00 0.00 56.10 53.71 2war s TRP 108 Cb 0.19 -3.66 0.33 0.00 -0.81 0.00 0.00 33.47 29.52 2war s TRP 108 CO 0.72 -1.08 1.92 -0.39 -0.51 0.00 0.00 176.95 177.62 2war h VAL 109 N 5.93 1.20 -0.30 4.03 -1.51 -1.85 -0.34 116.25 123.42 2war h VAL 109 Ca -0.26 -0.44 -0.07 0.00 -1.23 0.00 0.00 66.70 64.70 2war h VAL 109 Cb 1.09 -0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.04 2war h VAL 109 CO 0.98 0.23 -0.12 0.00 -1.23 0.00 0.00 177.57 177.43 2war h ALA 110 N 1.41 1.24 -0.14 5.19 0.00 -1.93 -2.04 119.26 122.99 2war h ALA 110 Ca 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2war h ALA 110 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2war h ALA 110 CO -0.11 0.50 0.05 2.35 0.00 0.00 0.00 179.25 182.05 2war h TRP 111 N 0.47 0.21 -0.48 0.00 7.01 -1.39 -0.38 115.95 121.39 2war h TRP 111 Ca 0.09 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 2war h TRP 111 Cb 0.49 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 2war h TRP 111 CO 0.02 0.29 0.28 -0.09 -2.79 0.00 0.00 178.44 176.15 2war h ARG 112 N 0.06 0.66 0.00 2.65 2.43 -1.16 0.34 114.38 119.36 2war h ARG 112 Ca 0.05 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2war h ARG 112 Cb 0.17 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2war h ARG 112 CO -0.00 0.49 -0.53 -0.91 -1.51 0.00 0.00 179.97 177.51 2war h ASN 113 N 0.64 0.00 0.00 -3.80 2.35 -1.33 -3.37 115.58 110.07 2war h ASN 113 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2war h ASN 113 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2war h ASN 113 CO -0.03 0.39 -0.26 0.54 -1.65 0.00 0.00 177.43 176.41 2war n ARG 114 N -3.14 3.48 -0.01 0.81 1.74 -0.16 -4.92 116.66 114.46 2war n ARG 114 Ca 0.01 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.07 2war n ARG 114 Cb 0.70 -0.52 -0.01 0.00 -1.02 0.00 0.00 32.46 31.60 2war n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2war n LYS 116 N -2.80 2.00 -0.91 0.00 4.81 0.48 -1.67 118.16 120.07 2war n LYS 116 Ca -0.05 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2war n LYS 116 Cb 0.55 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.12 2war n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2war n GLY 117 N 3.37 0.91 3.96 3.14 0.00 -1.26 -4.95 105.19 110.36 2war n GLY 117 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2war n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2war s THR 118 N -3.62 2.56 -1.16 2.61 -4.23 -0.67 -5.02 115.64 106.11 2war s THR 118 Ca 0.00 -1.16 -0.20 0.00 -1.18 0.00 0.00 61.69 59.15 2war s THR 118 Cb 0.00 -2.72 0.07 0.00 1.34 0.00 0.00 72.50 71.19 2war s THR 118 CO 0.00 0.00 1.57 -0.62 -0.54 0.00 0.00 174.62 175.03 2war s ASP 119 N -4.34 6.69 0.47 3.99 -1.08 -1.26 -4.81 116.67 116.34 2war s ASP 119 Ca 0.52 -2.03 0.26 0.00 -0.52 0.00 0.00 52.55 50.79 2war s ASP 119 Cb -0.06 -2.56 0.66 0.00 -1.46 0.00 0.00 42.92 39.50 2war s ASP 119 CO 0.31 -1.29 1.73 -0.37 0.52 0.00 0.00 175.17 176.07 2war h VAL 120 N 6.07 0.00 -0.04 1.11 -1.51 -1.91 -3.08 116.25 116.89 2war h VAL 120 Ca 0.32 -0.85 0.01 0.00 -1.23 0.00 0.00 66.70 64.95 2war h VAL 120 Cb 0.94 1.85 -0.00 0.00 -2.13 0.00 0.00 31.29 31.94 2war h VAL 120 CO 1.42 0.00 0.05 -0.61 -1.23 0.00 0.00 177.57 177.20 2war h GLN 121 N 0.00 0.00 -0.10 5.19 -0.00 -1.88 -0.57 115.11 117.74 2war h GLN 121 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 2war h GLN 121 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.32 2war h GLN 121 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 178.83 178.94 2war h ALA 122 N 1.94 1.72 0.00 3.38 0.00 -1.94 -1.94 119.26 122.42 2war h ALA 122 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2war h ALA 122 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2war h ALA 122 CO -0.00 -0.16 0.00 0.91 0.00 0.00 0.00 179.25 180.00 2war n TRP 123 N -3.89 0.83 -0.94 0.00 7.02 -0.22 -2.43 117.44 117.80 2war n TRP 123 Ca -0.00 0.33 0.09 0.00 -1.02 0.00 0.00 57.50 56.89 2war n TRP 123 Cb 0.21 -1.03 0.17 0.00 -2.42 0.00 0.00 31.31 28.24 2war n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2war n ILE 124 N -2.26 1.92 -1.70 -0.99 -5.35 -0.74 -4.85 119.36 105.39 2war n ILE 124 Ca 0.02 -2.02 -0.44 0.00 -0.27 0.00 0.00 62.75 60.05 2war n ILE 124 Cb 0.22 -0.17 -0.03 0.00 -1.74 0.00 0.00 39.64 37.93 2war n ILE 124 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2war n ARG 125 N -1.01 2.41 0.00 6.28 1.85 -1.02 -2.22 116.66 122.95 2war n ARG 125 Ca 0.16 0.86 0.00 0.00 -1.00 0.00 0.00 57.85 57.88 2war n ARG 125 Cb 0.69 -2.62 0.00 0.00 -1.05 0.00 0.00 32.46 29.48 2war n ARG 125 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2war n GLY 126 N 2.80 2.70 3.77 2.89 0.00 -1.26 -5.00 105.19 111.08 2war n GLY 126 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2war n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2war s ARG 128 N -1.91 3.31 0.00 0.00 3.52 -1.26 -5.13 118.95 117.48 2war s ARG 128 Ca 0.49 -1.40 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 2war s ARG 128 Cb -0.23 -4.51 0.00 0.00 -1.56 0.00 0.00 34.95 28.66 2war s ARG 128 CO 0.28 -1.70 0.29 1.28 -0.81 0.00 0.00 175.30 174.64