#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1opa s LYS 2 N 0.00 0.59 -0.24 -2.82 2.20 -1.26 -4.70 119.74 113.50 1opa s LYS 2 Ca 0.00 -0.27 -0.17 0.00 -0.36 0.00 0.00 55.97 55.17 1opa s LYS 2 Cb 0.00 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1opa s LYS 2 CO 0.00 -0.26 0.46 0.34 -0.36 0.00 0.00 175.35 175.52 1opa s ASP 3 N -2.58 6.41 -0.08 1.43 2.15 -1.26 -4.93 116.67 117.79 1opa s ASP 3 Ca 0.10 0.48 0.12 0.00 0.43 0.00 0.00 52.55 53.69 1opa s ASP 3 Cb 0.01 -2.25 0.19 0.00 -0.30 0.00 0.00 42.92 40.56 1opa s ASP 3 CO -0.04 -0.20 1.08 0.00 -0.17 0.00 0.00 175.17 175.83 1opa n GLN 4 N 5.16 1.29 -1.70 4.34 6.02 -1.26 -4.92 117.38 126.31 1opa n GLN 4 Ca -0.06 -2.09 -0.35 0.00 -0.01 0.00 0.00 57.00 54.49 1opa n GLN 4 Cb 0.50 -1.23 0.07 0.00 1.02 0.00 0.00 30.24 30.60 1opa n GLN 4 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1opa s ASN 5 N -2.19 4.64 0.00 1.08 -0.87 -1.26 -4.67 114.94 111.67 1opa s ASN 5 Ca 0.21 2.41 0.00 0.00 -1.57 0.00 0.00 52.86 53.91 1opa s ASN 5 Cb 0.18 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.82 1opa s ASN 5 CO 0.02 -1.97 0.00 0.61 -2.57 0.00 0.00 177.10 173.19 1opa n GLY 6 N 0.49 1.28 3.52 0.66 0.00 -0.81 -4.94 105.19 105.39 1opa n GLY 6 Ca 0.14 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1opa n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1opa s THR 7 N -1.15 4.33 -0.06 2.61 2.01 -1.26 -1.09 115.64 121.03 1opa s THR 7 Ca 0.00 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1opa s THR 7 Cb 0.00 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1opa s THR 7 CO 0.00 0.43 -0.22 0.26 -0.69 0.00 0.00 174.62 174.40 1opa s TRP 8 N 0.83 2.18 -0.15 4.92 0.52 0.18 -1.20 118.94 126.22 1opa s TRP 8 Ca 0.02 -0.69 -0.03 0.00 0.02 0.00 0.00 56.10 55.43 1opa s TRP 8 Cb -0.14 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.71 1opa s TRP 8 CO 0.02 -0.23 -0.06 -1.21 0.02 0.00 0.00 176.95 175.48 1opa s GLU 9 N 0.01 3.56 0.15 4.98 2.02 -0.21 -0.84 118.70 128.38 1opa s GLU 9 Ca -0.06 -0.57 -0.31 0.00 0.02 0.00 0.00 54.97 54.05 1opa s GLU 9 Cb -0.14 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.17 1opa s GLU 9 CO 0.04 0.25 1.51 1.41 0.02 0.00 0.00 175.26 178.49 1opa s MET 10 N 0.31 4.25 -0.26 1.61 -2.45 -0.40 -1.08 119.30 121.28 1opa s MET 10 Ca -0.06 2.28 -0.03 0.00 -1.25 0.00 0.00 55.69 56.63 1opa s MET 10 Cb -0.15 -3.18 -0.16 0.00 1.25 0.00 0.00 34.83 32.59 1opa s MET 10 CO 0.04 -0.55 -0.23 0.39 1.05 0.00 0.00 175.02 175.72 1opa n GLU 11 N 3.90 0.64 -3.88 4.11 -0.58 0.34 -4.84 120.64 120.33 1opa n GLU 11 Ca 0.13 0.19 -0.11 0.00 -0.42 0.00 0.00 57.16 56.95 1opa n GLU 11 Cb 0.40 -1.52 -0.10 0.00 -0.57 0.00 0.00 31.44 29.65 1opa n GLU 11 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1opa s SER 12 N -6.80 0.06 -0.29 1.62 0.15 -1.11 -5.00 113.70 102.33 1opa s SER 12 Ca -0.35 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.04 1opa s SER 12 Cb 0.10 0.21 0.18 0.00 -1.71 0.00 0.00 66.02 64.80 1opa s SER 12 CO 0.58 -0.41 0.51 0.21 1.20 0.00 0.00 173.24 175.33 1opa s ASN 13 N -1.57 -0.73 -0.12 5.45 2.47 -1.26 -2.68 114.94 116.50 1opa s ASN 13 Ca -0.13 0.14 -0.02 0.00 0.42 0.00 0.00 52.86 53.27 1opa s ASN 13 Cb -0.06 1.66 -0.03 0.00 -1.45 0.00 0.00 41.25 41.37 1opa s ASN 13 CO 0.00 -0.31 -0.04 -0.70 -3.72 0.00 0.00 177.10 172.33 1opa s GLU 14 N 2.71 3.36 -1.45 0.43 2.12 0.07 -4.59 118.70 121.35 1opa s GLU 14 Ca 0.12 -0.51 -0.09 0.00 0.36 0.00 0.00 54.97 54.85 1opa s GLU 14 Cb -0.12 -2.82 0.04 0.00 0.26 0.00 0.00 34.13 31.49 1opa s GLU 14 CO -0.25 0.41 0.71 -1.71 -0.54 0.00 0.00 175.26 173.87 1opa n ASN 15 N 3.02 -5.12 0.20 -1.70 5.15 -1.26 -1.41 115.26 114.14 1opa n ASN 15 Ca -0.18 -0.45 0.04 0.00 -0.60 0.00 0.00 54.58 53.40 1opa n ASN 15 Cb 0.53 -4.14 0.41 0.00 -0.53 0.00 0.00 39.78 36.05 1opa n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1opa h PHE 16 N -1.53 0.00 -0.38 1.20 3.57 -1.89 -2.60 116.94 115.31 1opa h PHE 16 Ca -0.51 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 60.98 1opa h PHE 16 Cb 1.34 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 1opa h PHE 16 CO 0.58 0.33 0.20 1.49 -2.23 0.00 0.00 178.31 178.67 1opa h GLU 17 N 0.00 0.53 -0.44 1.11 4.57 -1.94 -1.88 114.58 116.53 1opa h GLU 17 Ca -0.00 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 1opa h GLU 17 Cb 0.61 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1opa h GLU 17 CO 0.04 0.45 0.05 0.78 -1.18 0.00 0.00 179.01 179.16 1opa h GLY 18 N 0.48 0.81 1.00 1.92 0.00 -1.89 0.17 103.07 105.55 1opa h GLY 18 Ca 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1opa h GLY 18 CO -0.02 0.51 0.08 -1.82 0.00 0.00 0.00 176.54 175.29 1opa h TYR 19 N 0.60 0.15 -0.37 5.60 3.20 -1.39 0.07 116.97 124.84 1opa h TYR 19 Ca 0.13 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 1opa h TYR 19 Cb 0.41 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1opa h TYR 19 CO 0.03 0.10 -0.04 0.52 -1.64 0.00 0.00 178.16 177.13 1opa h MET 20 N 0.16 0.60 -0.55 1.82 2.86 -1.19 -2.33 114.93 116.30 1opa h MET 20 Ca 0.04 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1opa h MET 20 Cb -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1opa h MET 20 CO -0.01 0.65 -0.08 -0.22 1.06 0.00 0.00 176.91 178.31 1opa h LYS 21 N 0.56 1.02 0.00 1.72 3.64 -0.56 -0.99 116.57 121.97 1opa h LYS 21 Ca 0.11 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1opa h LYS 21 Cb 0.42 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1opa h LYS 21 CO 0.02 1.05 -0.10 0.00 -2.27 0.00 0.00 179.45 178.15 1opa h ALA 22 N 0.94 1.27 -0.01 5.00 0.00 -0.71 -0.02 119.26 125.73 1opa h ALA 22 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1opa h ALA 22 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1opa h ALA 22 CO 0.04 0.13 -0.02 1.28 0.00 0.00 0.00 179.25 180.68 1opa n LEU 23 N -3.60 1.08 -1.50 0.00 4.77 -0.76 -4.94 117.00 112.06 1opa n LEU 23 Ca -0.02 -0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 55.49 1opa n LEU 23 Cb 0.23 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1opa n LEU 23 CO 0.29 0.18 -0.13 0.47 -1.33 0.00 0.00 177.39 176.88 1opa n ASP 24 N -0.19 -3.98 -4.77 -1.43 8.00 -0.02 -4.79 116.55 109.37 1opa n ASP 24 Ca 0.20 -0.04 -0.39 0.00 0.71 0.00 0.00 54.79 55.27 1opa n ASP 24 Cb 0.30 -3.13 -0.04 0.00 -0.02 0.00 0.00 41.12 38.23 1opa n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1opa s ILE 25 N -2.67 3.49 0.43 0.53 1.01 -0.45 -4.96 121.20 118.58 1opa s ILE 25 Ca 0.03 1.36 -0.24 0.00 0.00 0.00 0.00 60.65 61.80 1opa s ILE 25 Cb -0.01 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 1opa s ILE 25 CO 0.04 0.22 1.16 1.51 0.00 0.00 0.00 174.94 177.87 1opa s ASP 26 N -1.09 6.35 0.29 3.58 -4.77 -1.26 -4.70 116.67 115.07 1opa s ASP 26 Ca 0.50 2.30 0.00 0.00 -3.30 0.00 0.00 52.55 52.05 1opa s ASP 26 Cb -0.29 -2.61 0.69 0.00 -1.09 0.00 0.00 42.92 39.62 1opa s ASP 26 CO 0.37 -0.79 1.59 0.15 0.70 0.00 0.00 175.17 177.20 1opa h PHE 27 N 2.31 0.01 -0.47 2.11 3.57 -1.99 -0.45 116.94 122.04 1opa h PHE 27 Ca -0.49 0.07 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 1opa h PHE 27 Cb 1.24 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 1opa h PHE 27 CO 0.54 -0.36 -0.05 0.00 -2.23 0.00 0.00 178.31 176.21 1opa h ALA 28 N 1.90 1.05 -0.30 2.41 0.00 -2.00 -1.08 119.26 121.24 1opa h ALA 28 Ca 0.56 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 1opa h ALA 28 Cb 1.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1opa h ALA 28 CO -0.83 0.59 -0.49 1.15 0.00 0.00 0.00 179.25 179.66 1opa h THR 29 N 0.74 1.28 -0.41 0.00 2.02 -1.48 -3.08 112.91 111.98 1opa h THR 29 Ca 0.14 -1.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 1opa h THR 29 Cb 0.51 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1opa h THR 29 CO 0.03 0.55 0.24 0.03 0.37 0.00 0.00 175.52 176.74 1opa h ARG 30 N 0.65 0.56 -0.69 6.66 3.08 -0.94 0.35 114.38 124.05 1opa h ARG 30 Ca 0.03 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.09 1opa h ARG 30 Cb 1.08 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 1opa h ARG 30 CO 0.11 0.43 0.37 0.87 -1.07 0.00 0.00 179.97 180.68 1opa h LYS 31 N 0.54 0.66 -0.14 0.04 6.56 -1.21 -0.41 116.57 122.61 1opa h LYS 31 Ca 0.15 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.62 1opa h LYS 31 Cb 0.01 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.52 1opa h LYS 31 CO -0.03 0.43 -0.21 0.82 -2.06 0.00 0.00 179.45 178.41 1opa h ILE 32 N 0.68 1.36 -0.59 1.86 2.04 -1.40 -3.33 117.51 118.12 1opa h ILE 32 Ca 0.32 -1.44 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 1opa h ILE 32 Cb 0.23 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1opa h ILE 32 CO -0.20 0.42 0.03 0.00 0.00 0.00 0.00 178.15 178.40 1opa h ALA 33 N 0.57 0.93 0.00 1.87 0.00 -0.42 -3.08 119.26 119.13 1opa h ALA 33 Ca 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1opa h ALA 33 Cb 0.78 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1opa h ALA 33 CO 0.05 0.65 -0.02 -0.24 0.00 0.00 0.00 179.25 179.69 1opa h VAL 34 N 0.93 0.15 -0.01 0.00 3.04 -1.20 -2.87 116.25 116.29 1opa h VAL 34 Ca 0.17 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1opa h VAL 34 Cb 0.50 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1opa h VAL 34 CO 0.02 0.02 -0.41 -2.11 -1.01 0.00 0.00 177.57 174.08 1opa n ARG 35 N -3.26 1.11 -3.38 4.17 1.85 -1.16 -4.96 116.66 111.03 1opa n ARG 35 Ca -0.02 -0.86 -0.35 0.00 -1.00 0.00 0.00 57.85 55.62 1opa n ARG 35 Cb 0.14 -1.48 -0.06 0.00 -1.05 0.00 0.00 32.46 30.01 1opa n ARG 35 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1opa s LEU 36 N -2.48 4.36 0.22 2.89 1.43 -1.09 -5.06 118.68 118.96 1opa s LEU 36 Ca 0.20 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 54.05 1opa s LEU 36 Cb 0.18 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 43.14 1opa s LEU 36 CO 0.55 0.13 1.03 -0.89 0.23 0.00 0.00 176.35 177.41 1opa s THR 37 N -1.42 3.89 0.05 5.49 2.01 -1.26 -5.07 115.64 119.32 1opa s THR 37 Ca 0.36 1.78 0.06 0.00 0.31 0.00 0.00 61.69 64.20 1opa s THR 37 Cb -0.15 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1opa s THR 37 CO 0.19 0.38 -0.12 -1.10 -0.69 0.00 0.00 174.62 173.28 1opa s GLN 38 N -0.92 2.25 -0.11 4.92 -0.21 -1.26 -4.57 119.66 119.76 1opa s GLN 38 Ca 0.45 -0.91 0.03 0.00 0.02 0.00 0.00 55.36 54.95 1opa s GLN 38 Cb -0.28 -2.33 0.01 0.00 1.00 0.00 0.00 33.01 31.40 1opa s GLN 38 CO 0.35 0.55 -0.22 0.99 -2.12 0.00 0.00 175.29 174.84 1opa s THR 39 N -1.04 1.98 -0.16 -0.19 2.01 -0.63 -1.28 115.64 116.32 1opa s THR 39 Ca 0.18 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 1opa s THR 39 Cb -0.11 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1opa s THR 39 CO 0.09 0.54 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.71 1opa s LYS 40 N 0.57 3.39 -0.12 4.92 2.20 -0.02 -0.68 119.74 130.00 1opa s LYS 40 Ca -0.14 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1opa s LYS 40 Cb -0.17 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 1opa s LYS 40 CO 0.04 0.07 -0.12 0.42 -0.36 0.00 0.00 175.35 175.39 1opa s ILE 41 N 0.75 3.16 -0.10 5.43 1.01 -0.08 -0.65 121.20 130.72 1opa s ILE 41 Ca -0.04 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1opa s ILE 41 Cb -0.15 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1opa s ILE 41 CO 0.02 0.53 -0.13 -0.63 0.00 0.00 0.00 174.94 174.73 1opa s ILE 42 N 0.17 1.33 -0.26 2.92 1.01 -0.25 -1.42 121.20 124.70 1opa s ILE 42 Ca -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1opa s ILE 42 Cb -0.15 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.10 1opa s ILE 42 CO 0.05 0.41 -0.00 -0.69 0.00 0.00 0.00 174.94 174.70 1opa s VAL 43 N 1.03 3.39 -0.17 2.92 1.01 -0.11 -1.92 120.40 126.56 1opa s VAL 43 Ca -0.07 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1opa s VAL 43 Cb -0.15 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1opa s VAL 43 CO -0.01 0.19 -0.12 -1.58 0.00 0.00 0.00 175.10 173.58 1opa s GLN 44 N 1.42 2.15 -0.27 2.72 0.74 -1.26 -1.18 119.66 123.98 1opa s GLN 44 Ca 0.02 -0.68 -0.00 0.00 0.05 0.00 0.00 55.36 54.75 1opa s GLN 44 Cb -0.16 -2.24 0.08 0.00 1.10 0.00 0.00 33.01 31.79 1opa s GLN 44 CO -0.02 -0.33 0.04 0.34 -0.55 0.00 0.00 175.29 174.77 1opa s ASP 45 N 1.45 3.89 1.33 6.67 2.15 -0.73 -4.93 116.67 126.50 1opa s ASP 45 Ca 0.02 -1.44 0.00 0.00 0.43 0.00 0.00 52.55 51.56 1opa s ASP 45 Cb -0.14 -1.02 0.00 0.00 -0.30 0.00 0.00 42.92 41.46 1opa s ASP 45 CO -0.09 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 1opa n GLY 46 N 4.75 1.92 0.71 2.66 0.00 -1.26 -1.93 105.19 112.04 1opa n GLY 46 Ca -0.05 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.96 1opa n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1opa n ASP 47 N 10.23 2.47 -4.70 1.61 5.68 -1.26 -4.92 116.55 125.66 1opa n ASP 47 Ca 0.00 -1.73 -0.37 0.00 -0.50 0.00 0.00 54.79 52.19 1opa n ASP 47 Cb 0.00 0.14 -0.08 0.00 -1.14 0.00 0.00 41.12 40.04 1opa n ASP 47 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1opa s ASN 48 N -1.86 6.35 -0.07 -1.12 0.01 -0.81 -1.09 114.94 116.35 1opa s ASN 48 Ca 0.22 0.40 0.04 0.00 -0.71 0.00 0.00 52.86 52.81 1opa s ASN 48 Cb 0.17 -2.17 -0.02 0.00 0.41 0.00 0.00 41.25 39.64 1opa s ASN 48 CO 0.33 0.05 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.42 1opa s PHE 49 N 0.81 2.61 -0.21 2.20 0.40 0.07 -1.78 117.98 122.07 1opa s PHE 49 Ca 0.15 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1opa s PHE 49 Cb -0.13 -1.67 0.04 0.00 0.51 0.00 0.00 43.02 41.76 1opa s PHE 49 CO 0.04 -0.10 -0.16 0.15 0.70 0.00 0.00 175.22 175.85 1opa s LYS 50 N -0.19 2.67 0.12 0.44 1.02 -0.32 -1.59 119.74 121.89 1opa s LYS 50 Ca -0.01 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 55.01 1opa s LYS 50 Cb -0.13 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1opa s LYS 50 CO 0.03 -0.36 -0.18 0.95 -0.92 0.00 0.00 175.35 174.88 1opa s THR 51 N 1.21 1.59 -0.07 2.17 -4.23 -0.20 -0.93 115.64 115.18 1opa s THR 51 Ca -0.01 -1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1opa s THR 51 Cb -0.16 -1.58 0.02 0.00 1.34 0.00 0.00 72.50 72.13 1opa s THR 51 CO -0.10 -0.24 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.17 1opa s LYS 52 N -2.33 0.92 -0.24 3.99 -0.14 -0.51 -1.56 119.74 119.86 1opa s LYS 52 Ca 0.09 -0.06 -0.03 0.00 -1.36 0.00 0.00 55.97 54.61 1opa s LYS 52 Cb -0.08 -1.07 0.01 0.00 -1.68 0.00 0.00 37.83 35.02 1opa s LYS 52 CO 0.04 -0.21 -0.04 0.99 -0.76 0.00 0.00 175.35 175.37 1opa s THR 53 N 1.51 3.10 0.08 2.17 2.01 -0.31 -0.91 115.64 123.30 1opa s THR 53 Ca -0.01 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.23 1opa s THR 53 Cb -0.13 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1opa s THR 53 CO -0.04 0.26 -0.21 0.20 -0.69 0.00 0.00 174.62 174.14 1opa s ASN 54 N 1.38 3.63 0.30 3.53 0.01 0.15 -0.77 114.94 123.17 1opa s ASN 54 Ca 0.02 -0.56 -0.08 0.00 -0.71 0.00 0.00 52.86 51.53 1opa s ASN 54 Cb -0.16 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.04 1opa s ASN 54 CO -0.04 0.22 0.49 -0.94 -1.51 0.00 0.00 177.10 175.32 1opa s SER 55 N -1.74 0.33 0.23 -1.22 1.04 -1.19 -1.60 113.70 109.55 1opa s SER 55 Ca 0.15 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.43 1opa s SER 55 Cb -0.10 0.63 0.24 0.00 0.10 0.00 0.00 66.02 66.89 1opa s SER 55 CO 0.06 -1.24 1.55 0.71 0.98 0.00 0.00 173.24 175.30 1opa h THR 56 N 2.19 1.39 0.07 2.02 1.35 -1.99 -3.34 112.91 114.60 1opa h THR 56 Ca -0.28 -2.00 -0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1opa h THR 56 Cb 1.25 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1opa h THR 56 CO 0.38 0.59 -0.03 0.15 -0.25 0.00 0.00 175.52 176.36 1opa h PHE 57 N 0.18 -0.08 -2.48 4.73 3.57 -1.97 -3.49 116.94 117.40 1opa h PHE 57 Ca -0.01 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1opa h PHE 57 Cb 1.12 0.03 -0.18 0.00 2.79 0.00 0.00 35.95 39.71 1opa h PHE 57 CO 0.02 0.49 0.05 0.50 -2.23 0.00 0.00 178.31 177.14 1opa s ARG 58 N -3.36 0.99 0.27 1.11 3.52 -1.25 -5.18 118.95 115.04 1opa s ARG 58 Ca -0.15 -0.01 0.11 0.00 -0.13 0.00 0.00 55.73 55.55 1opa s ARG 58 Cb 0.00 0.46 -0.05 0.00 -1.56 0.00 0.00 34.95 33.80 1opa s ARG 58 CO 0.58 -0.32 -0.18 -0.80 -0.81 0.00 0.00 175.30 173.77 1opa s ASN 59 N -1.53 3.42 -0.14 -2.12 0.02 -1.26 -3.15 114.94 110.18 1opa s ASN 59 Ca -0.09 -1.05 -0.03 0.00 -1.02 0.00 0.00 52.86 50.67 1opa s ASN 59 Cb -0.01 -0.27 0.05 0.00 0.02 0.00 0.00 41.25 41.03 1opa s ASN 59 CO 0.04 -0.03 0.04 -0.47 0.02 0.00 0.00 177.10 176.71 1opa s TYR 60 N -2.61 0.64 -0.05 2.20 5.04 0.05 -5.00 117.35 117.62 1opa s TYR 60 Ca 0.29 -0.44 -0.11 0.00 -2.44 0.00 0.00 57.07 54.37 1opa s TYR 60 Cb -0.03 -0.84 -0.05 0.00 0.35 0.00 0.00 41.96 41.39 1opa s TYR 60 CO 0.14 -0.47 0.28 -0.51 -1.34 0.00 0.00 175.55 173.64 1opa s ASP 61 N 1.98 6.60 -0.20 4.32 1.11 -1.26 -1.16 116.67 128.06 1opa s ASP 61 Ca 0.02 0.71 -0.08 0.00 0.18 0.00 0.00 52.55 53.38 1opa s ASP 61 Cb -0.15 -2.16 0.09 0.00 1.07 0.00 0.00 42.92 41.77 1opa s ASP 61 CO -0.07 0.36 0.44 -0.22 1.18 0.00 0.00 175.17 176.86 1opa s LEU 62 N -1.10 -0.59 0.08 1.23 2.96 -0.60 -5.01 118.68 115.65 1opa s LEU 62 Ca 0.20 1.03 0.08 0.00 -0.22 0.00 0.00 54.13 55.22 1opa s LEU 62 Cb -0.14 1.44 -0.04 0.00 0.50 0.00 0.00 46.19 47.96 1opa s LEU 62 CO 0.09 -0.22 -0.19 -1.81 -1.32 0.00 0.00 176.35 172.89 1opa s ASP 63 N 2.40 3.75 0.09 3.68 1.01 -1.26 -1.04 116.67 125.29 1opa s ASP 63 Ca -0.04 -0.53 -0.26 0.00 0.71 0.00 0.00 52.55 52.43 1opa s ASP 63 Cb -0.11 -0.52 0.08 0.00 1.01 0.00 0.00 42.92 43.38 1opa s ASP 63 CO -0.13 0.21 0.87 0.72 0.21 0.00 0.00 175.17 177.05 1opa s PHE 64 N -1.03 -0.29 -0.09 4.23 -0.12 -0.62 -5.01 117.98 115.05 1opa s PHE 64 Ca 0.16 0.07 0.04 0.00 -0.05 0.00 0.00 56.93 57.15 1opa s PHE 64 Cb -0.10 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1opa s PHE 64 CO 0.07 -0.72 -0.23 0.99 -0.05 0.00 0.00 175.22 175.29 1opa s THR 65 N -3.30 2.20 0.24 -4.49 2.01 -1.26 -0.75 115.64 110.29 1opa s THR 65 Ca 0.07 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 1opa s THR 65 Cb -0.01 -1.83 -0.12 0.00 0.01 0.00 0.00 72.50 70.54 1opa s THR 65 CO -0.05 0.56 1.69 -0.69 -0.69 0.00 0.00 174.62 175.44 1opa s VAL 66 N 0.13 2.00 0.00 3.82 1.01 -0.25 -2.38 120.40 124.73 1opa s VAL 66 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1opa s VAL 66 Cb -0.16 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1opa s VAL 66 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1opa n GLY 67 N 3.35 0.79 3.24 4.51 0.00 0.18 -5.01 105.19 112.25 1opa n GLY 67 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1opa n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1opa s VAL 68 N -3.09 3.18 0.34 1.61 1.01 -1.00 -5.01 120.40 117.44 1opa s VAL 68 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 1opa s VAL 68 Cb 0.00 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 1opa s VAL 68 CO 0.00 0.14 1.35 -0.70 0.00 0.00 0.00 175.10 175.88 1opa s GLU 69 N 1.37 4.30 0.17 2.72 2.12 -1.26 -4.69 118.70 123.44 1opa s GLU 69 Ca 0.00 2.29 -0.09 0.00 0.36 0.00 0.00 54.97 57.53 1opa s GLU 69 Cb -0.17 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1opa s GLU 69 CO -0.02 -0.26 0.30 -0.59 -0.54 0.00 0.00 175.26 174.15 1opa s PHE 70 N -1.09 0.40 -0.29 5.30 -0.71 -0.39 -4.99 117.98 116.21 1opa s PHE 70 Ca 0.50 -0.76 -0.17 0.00 -1.04 0.00 0.00 56.93 55.47 1opa s PHE 70 Cb -0.41 -0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.34 1opa s PHE 70 CO 0.55 -0.75 0.46 -0.51 -1.34 0.00 0.00 175.22 173.63 1opa s ASP 71 N -2.97 6.34 -0.15 1.98 1.01 -1.26 -0.56 116.67 121.05 1opa s ASP 71 Ca 0.18 0.30 -0.05 0.00 0.71 0.00 0.00 52.55 53.69 1opa s ASP 71 Cb 0.03 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 1opa s ASP 71 CO 0.01 -0.30 0.03 -0.70 0.21 0.00 0.00 175.17 174.42 1opa s GLU 72 N 2.24 3.67 -0.31 8.23 2.12 -0.09 -4.96 118.70 129.61 1opa s GLU 72 Ca 0.18 -0.38 -0.07 0.00 0.36 0.00 0.00 54.97 55.06 1opa s GLU 72 Cb -0.16 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.20 1opa s GLU 72 CO 0.10 0.39 0.09 -1.01 -0.54 0.00 0.00 175.26 174.29 1opa s HIS 73 N 0.01 3.18 -1.36 5.30 3.76 -1.26 -1.79 115.29 123.13 1opa s HIS 73 Ca 0.04 -1.12 -0.08 0.00 -0.15 0.00 0.00 55.06 53.75 1opa s HIS 73 Cb -0.12 -2.26 -0.05 0.00 1.11 0.00 0.00 32.58 31.26 1opa s HIS 73 CO 0.01 -0.63 2.87 0.25 -0.85 0.00 0.00 174.74 176.39 1opa n THR 74 N 4.85 4.42 -2.04 1.30 -2.24 -0.27 -4.93 114.28 115.36 1opa n THR 74 Ca -0.14 -2.96 -0.41 0.00 -2.27 0.00 0.00 64.05 58.27 1opa n THR 74 Cb 0.47 -2.38 -0.02 0.00 -2.10 0.00 0.00 70.33 66.29 1opa n THR 74 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1opa s LYS 75 N 1.04 4.28 0.00 -0.78 -2.85 -1.26 -0.68 119.74 119.49 1opa s LYS 75 Ca 0.65 2.26 0.00 0.00 -1.00 0.00 0.00 55.97 57.88 1opa s LYS 75 Cb 0.20 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.84 1opa s LYS 75 CO -0.07 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.38 1opa n GLY 76 N 2.39 1.77 0.00 0.59 0.00 -1.26 -4.89 105.19 103.79 1opa n GLY 76 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1opa n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1opa n LEU 77 N 0.00 0.00 -0.71 0.99 4.32 -0.67 -4.95 117.00 115.99 1opa n LEU 77 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.11 1opa n LEU 77 Cb 0.00 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.00 1opa n LEU 77 CO 0.00 0.00 0.63 -0.90 -1.22 0.00 0.00 177.39 175.90 1opa n ASP 78 N 0.00 2.33 -2.68 -1.43 5.75 -1.18 -4.98 116.55 114.35 1opa n ASP 78 Ca 0.00 -1.71 -0.21 0.00 -0.01 0.00 0.00 54.79 52.86 1opa n ASP 78 Cb 0.00 0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.19 1opa n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1opa n GLY 79 N 1.32 -0.51 3.97 6.12 0.00 0.14 -5.00 105.19 111.24 1opa n GLY 79 Ca 0.14 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1opa n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1opa s ARG 80 N -5.34 2.35 -0.19 1.61 0.52 -1.26 -4.71 118.95 111.93 1opa s ARG 80 Ca 0.13 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.48 1opa s ARG 80 Cb -0.06 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1opa s ARG 80 CO 0.16 -0.89 0.00 -0.80 0.02 0.00 0.00 175.30 173.79 1opa s ASN 81 N -4.49 4.96 0.06 0.23 0.01 -1.26 -1.11 114.94 113.33 1opa s ASN 81 Ca 0.59 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.63 1opa s ASN 81 Cb -0.09 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.70 1opa s ASN 81 CO 0.40 0.10 -0.09 0.68 -1.51 0.00 0.00 177.10 176.68 1opa s VAL 82 N 0.77 0.72 -0.31 1.60 -7.23 -0.74 -4.77 120.40 110.44 1opa s VAL 82 Ca 0.00 -1.30 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 1opa s VAL 82 Cb -0.14 -0.93 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 1opa s VAL 82 CO 0.02 -0.44 0.36 -0.54 -0.31 0.00 0.00 175.10 174.20 1opa s LYS 83 N -2.05 3.75 -0.06 4.82 1.02 -0.46 -0.91 119.74 125.86 1opa s LYS 83 Ca -0.04 -0.24 -0.01 0.00 0.02 0.00 0.00 55.97 55.70 1opa s LYS 83 Cb -0.07 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 1opa s LYS 83 CO 0.00 -0.42 0.03 0.99 -0.92 0.00 0.00 175.35 175.02 1opa s THR 84 N 2.04 4.45 -0.03 2.17 2.01 0.27 -0.84 115.64 125.72 1opa s THR 84 Ca 0.13 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1opa s THR 84 Cb -0.16 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.45 1opa s THR 84 CO 0.11 0.52 0.03 -0.22 -0.69 0.00 0.00 174.62 174.38 1opa s LEU 85 N -1.16 0.75 -0.16 4.42 1.98 -0.83 -1.26 118.68 122.42 1opa s LEU 85 Ca 0.16 0.04 -0.01 0.00 -2.89 0.00 0.00 54.13 51.43 1opa s LEU 85 Cb -0.12 -0.13 -0.01 0.00 0.66 0.00 0.00 46.19 46.59 1opa s LEU 85 CO 0.06 -0.17 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.55 1opa s VAL 86 N 1.48 3.05 0.23 1.68 1.01 -1.26 -1.86 120.40 124.74 1opa s VAL 86 Ca -0.04 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1opa s VAL 86 Cb -0.13 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1opa s VAL 86 CO -0.03 0.50 0.10 0.42 0.00 0.00 0.00 175.10 176.09 1opa s THR 87 N 0.77 0.39 -0.13 3.92 -4.23 -0.14 -0.64 115.64 115.58 1opa s THR 87 Ca -0.04 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.41 1opa s THR 87 Cb -0.15 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1opa s THR 87 CO 0.01 -0.04 0.09 0.26 -0.54 0.00 0.00 174.62 174.41 1opa s TRP 88 N -3.87 3.42 -0.45 3.99 0.52 -1.26 -0.35 118.94 120.93 1opa s TRP 88 Ca 0.37 0.35 0.02 0.00 0.02 0.00 0.00 56.10 56.86 1opa s TRP 88 Cb 0.07 -1.96 0.14 0.00 -1.15 0.00 0.00 33.47 30.57 1opa s TRP 88 CO 0.12 0.52 0.25 -2.00 0.02 0.00 0.00 176.95 175.86 1opa s GLU 89 N -0.56 1.33 7.83 4.98 2.12 -0.32 -4.96 118.70 129.12 1opa s GLU 89 Ca 0.11 -2.08 0.00 0.00 0.36 0.00 0.00 54.97 53.37 1opa s GLU 89 Cb -0.12 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 31.92 1opa s GLU 89 CO 0.02 -1.18 0.00 0.41 -0.54 0.00 0.00 175.26 173.98 1opa n GLY 90 N 3.44 2.91 0.96 -1.50 0.00 -1.26 -2.16 105.19 107.58 1opa n GLY 90 Ca 0.10 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1opa n GLY 90 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1opa n ASN 91 N 8.58 3.95 -4.75 1.61 2.04 -1.26 0.93 115.26 126.36 1opa n ASN 91 Ca 0.00 -2.88 -0.35 0.00 -0.44 0.00 0.00 54.58 50.90 1opa n ASN 91 Cb 0.00 -0.52 -0.08 0.00 -2.53 0.00 0.00 39.78 36.65 1opa n ASN 91 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1opa s THR 92 N -2.59 5.41 -0.19 5.53 2.01 -0.92 -4.62 115.64 120.26 1opa s THR 92 Ca 0.41 0.24 -0.23 0.00 0.31 0.00 0.00 61.69 62.42 1opa s THR 92 Cb 0.32 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1opa s THR 92 CO 0.11 0.46 0.75 -0.22 -0.69 0.00 0.00 174.62 175.03 1opa s LEU 93 N 0.17 4.14 -0.09 4.42 2.96 -0.23 -1.18 118.68 128.87 1opa s LEU 93 Ca 0.10 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.05 1opa s LEU 93 Cb -0.11 -3.09 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 1opa s LEU 93 CO -0.00 -0.37 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.77 1opa s VAL 94 N 2.19 2.54 -0.05 1.68 1.01 0.52 -1.14 120.40 127.16 1opa s VAL 94 Ca 0.34 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1opa s VAL 94 Cb -0.16 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1opa s VAL 94 CO 0.11 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.60 1opa s VAL 96 N 0.17 1.97 -0.33 0.00 1.01 -0.77 -1.70 120.40 120.75 1opa s VAL 96 Ca -0.06 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1opa s VAL 96 Cb -0.12 -1.69 0.09 0.00 0.00 0.00 0.00 36.38 34.66 1opa s VAL 96 CO 0.03 0.54 0.04 -1.10 0.00 0.00 0.00 175.10 174.61 1opa s GLN 97 N 0.14 1.74 0.03 2.72 -0.21 -0.67 -1.96 119.66 121.45 1opa s GLN 97 Ca -0.12 -1.74 -0.27 0.00 0.02 0.00 0.00 55.36 53.25 1opa s GLN 97 Cb -0.16 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.61 1opa s GLN 97 CO 0.06 -0.87 0.84 0.15 -2.12 0.00 0.00 175.29 173.35 1opa s LYS 98 N 0.99 4.54 0.00 2.91 -0.14 -0.02 -4.41 119.74 123.61 1opa s LYS 98 Ca 0.06 1.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.86 1opa s LYS 98 Cb -0.20 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 1opa s LYS 98 CO -0.07 0.16 0.00 0.41 -0.76 0.00 0.00 175.35 175.10 1opa n GLY 99 N 2.58 -0.59 0.23 -3.33 0.00 -1.26 -1.35 105.19 101.47 1opa n GLY 99 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 1opa n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1opa h GLU 100 N 0.00 0.76 -6.44 1.61 4.57 -1.92 -3.42 114.58 109.75 1opa h GLU 100 Ca 0.00 -0.13 -0.54 0.00 -1.18 0.00 0.00 59.36 57.51 1opa h GLU 100 Cb 0.00 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1opa h GLU 100 CO 0.00 0.66 0.48 0.15 -1.18 0.00 0.00 179.01 179.11 1opa s LYS 101 N -5.62 4.49 0.48 1.92 -0.14 -1.26 -5.01 119.74 114.60 1opa s LYS 101 Ca -0.13 1.59 -0.20 0.00 -1.36 0.00 0.00 55.97 55.87 1opa s LYS 101 Cb 0.12 -3.41 -0.09 0.00 -1.68 0.00 0.00 37.83 32.77 1opa s LYS 101 CO 0.77 -0.17 1.03 -1.21 -0.76 0.00 0.00 175.35 175.01 1opa s GLU 102 N 1.11 3.83 -1.59 1.68 2.02 -1.26 -4.02 118.70 120.47 1opa s GLU 102 Ca 0.55 1.31 -0.16 0.00 0.02 0.00 0.00 54.97 56.69 1opa s GLU 102 Cb -0.25 -2.10 0.13 0.00 0.10 0.00 0.00 34.13 32.01 1opa s GLU 102 CO 0.28 -0.40 0.75 -1.71 0.02 0.00 0.00 175.26 174.21 1opa n ASN 103 N -0.99 -3.57 -4.73 -0.19 5.15 -1.26 -0.70 115.26 108.96 1opa n ASN 103 Ca 0.09 -0.85 -0.39 0.00 -0.60 0.00 0.00 54.58 52.83 1opa n ASN 103 Cb 0.53 -2.92 -0.05 0.00 -0.53 0.00 0.00 39.78 36.81 1opa n ASN 103 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1opa s ARG 104 N -6.70 4.36 0.00 1.20 3.52 -1.26 -3.51 118.95 116.56 1opa s ARG 104 Ca 0.67 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 1opa s ARG 104 Cb -0.36 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1opa s ARG 104 CO 0.82 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.91 1opa n GLY 105 N 2.97 -0.79 3.45 8.12 0.00 -0.95 -1.67 105.19 116.31 1opa n GLY 105 Ca -0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1opa n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1opa s TRP 106 N -3.00 -0.50 -0.03 1.61 1.48 -0.69 -1.35 118.94 116.46 1opa s TRP 106 Ca 0.00 0.29 0.02 0.00 -1.06 0.00 0.00 56.10 55.35 1opa s TRP 106 Cb 0.00 0.56 0.01 0.00 -1.16 0.00 0.00 33.47 32.88 1opa s TRP 106 CO 0.00 -0.83 -0.06 0.15 -4.06 0.00 0.00 176.95 172.16 1opa s LYS 107 N -3.68 0.76 -0.05 3.25 1.02 -0.25 -0.56 119.74 120.24 1opa s LYS 107 Ca 0.02 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 55.86 1opa s LYS 107 Cb -0.01 -0.75 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 1opa s LYS 107 CO -0.12 0.01 -0.08 -1.14 -0.92 0.00 0.00 175.35 173.10 1opa s GLN 108 N 0.51 1.15 0.06 1.68 0.74 -0.29 -1.19 119.66 122.33 1opa s GLN 108 Ca -0.07 -0.26 -0.08 0.00 0.05 0.00 0.00 55.36 55.00 1opa s GLN 108 Cb -0.10 -1.04 -0.00 0.00 1.10 0.00 0.00 33.01 32.96 1opa s GLN 108 CO 0.00 0.01 0.17 1.67 -0.55 0.00 0.00 175.29 176.59 1opa s TRP 109 N 0.63 0.14 -0.10 1.67 -2.14 -0.63 -1.07 118.94 117.44 1opa s TRP 109 Ca -0.10 -0.49 -0.01 0.00 2.66 0.00 0.00 56.10 58.16 1opa s TRP 109 Cb -0.13 -0.08 -0.03 0.00 -3.10 0.00 0.00 33.47 30.13 1opa s TRP 109 CO 0.02 -0.47 -0.07 0.08 -2.66 0.00 0.00 176.95 173.84 1opa s VAL 110 N -3.27 3.63 -0.27 -0.66 1.01 -1.26 -0.86 120.40 118.71 1opa s VAL 110 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1opa s VAL 110 Cb 0.02 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.97 1opa s VAL 110 CO -0.08 0.56 0.07 -1.61 0.00 0.00 0.00 175.10 174.04 1opa s GLU 111 N -0.27 0.73 5.32 2.72 2.02 -0.18 -5.02 118.70 124.02 1opa s GLU 111 Ca 0.04 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1opa s GLU 111 Cb -0.13 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1opa s GLU 111 CO 0.03 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.84 1opa n GLY 112 N 4.91 1.22 0.65 -1.39 0.00 -1.26 -1.56 105.19 107.75 1opa n GLY 112 Ca -0.05 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.31 1opa n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1opa n ASP 113 N 10.13 2.92 -4.30 1.61 5.75 -1.26 -4.96 116.55 126.45 1opa n ASP 113 Ca 0.00 -1.99 -0.30 0.00 -0.01 0.00 0.00 54.79 52.49 1opa n ASP 113 Cb 0.00 -0.23 -0.16 0.00 -1.03 0.00 0.00 41.12 39.70 1opa n ASP 113 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1opa s LYS 114 N -1.00 1.97 -0.14 0.11 1.02 -0.60 -1.09 119.74 120.00 1opa s LYS 114 Ca 0.23 -0.92 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 1opa s LYS 114 Cb 0.12 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.47 1opa s LYS 114 CO 0.16 0.53 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.88 1opa s LEU 115 N -0.69 3.09 -0.09 3.17 0.20 -0.72 -1.01 118.68 122.63 1opa s LEU 115 Ca 0.10 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 54.74 1opa s LEU 115 Cb -0.10 -1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 1opa s LEU 115 CO -0.00 0.18 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.83 1opa s TYR 116 N 0.31 2.87 -0.04 5.38 1.51 -0.04 -0.91 117.35 126.42 1opa s TYR 116 Ca -0.06 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1opa s TYR 116 Cb -0.15 -1.76 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1opa s TYR 116 CO 0.04 0.13 0.04 -1.17 -1.11 0.00 0.00 175.55 173.48 1opa s LEU 117 N -0.36 0.35 -0.21 -1.29 2.96 -0.36 -1.61 118.68 118.16 1opa s LEU 117 Ca 0.05 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1opa s LEU 117 Cb -0.12 -0.19 -0.00 0.00 0.50 0.00 0.00 46.19 46.37 1opa s LEU 117 CO 0.02 -0.22 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.06 1opa s GLU 118 N 1.97 3.32 -0.12 1.98 2.12 -0.33 -0.80 118.70 126.85 1opa s GLU 118 Ca 0.03 -0.66 -0.03 0.00 0.36 0.00 0.00 54.97 54.67 1opa s GLU 118 Cb -0.12 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 1opa s GLU 118 CO -0.03 -0.19 -0.01 -0.51 -0.54 0.00 0.00 175.26 173.97 1opa s LEU 119 N 1.43 3.45 0.05 2.70 1.43 -0.44 -1.09 118.68 126.22 1opa s LEU 119 Ca 0.05 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1opa s LEU 119 Cb -0.14 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1opa s LEU 119 CO -0.05 0.28 -0.15 0.42 0.23 0.00 0.00 176.35 177.08 1opa s THR 120 N -0.31 1.23 -0.26 5.49 -4.23 -0.46 -1.02 115.64 116.07 1opa s THR 120 Ca 0.06 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.31 1opa s THR 120 Cb -0.12 -1.13 0.11 0.00 1.34 0.00 0.00 72.50 72.70 1opa s THR 120 CO 0.02 -0.04 0.59 0.00 -0.54 0.00 0.00 174.62 174.65 1opa n GLY 122 N 5.11 3.81 1.36 0.00 0.00 0.12 -1.12 105.19 114.47 1opa n GLY 122 Ca -0.14 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1opa n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1opa n ASP 123 N 6.71 4.33 -4.79 1.61 5.75 -1.26 -4.76 116.55 124.13 1opa n ASP 123 Ca 0.00 -2.38 -0.36 0.00 -0.01 0.00 0.00 54.79 52.04 1opa n ASP 123 Cb 0.00 -0.51 -0.07 0.00 -1.03 0.00 0.00 41.12 39.51 1opa n ASP 123 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1opa s GLN 124 N -1.71 3.91 -0.07 0.11 -1.52 -0.27 -5.09 119.66 115.02 1opa s GLN 124 Ca 0.46 -0.09 0.05 0.00 -1.95 0.00 0.00 55.36 53.83 1opa s GLN 124 Cb 0.29 -3.32 -0.00 0.00 -0.22 0.00 0.00 33.01 29.76 1opa s GLN 124 CO 0.23 0.50 -0.23 0.08 -0.25 0.00 0.00 175.29 175.62 1opa s VAL 125 N -0.24 1.91 -0.13 1.09 1.01 -1.26 -1.82 120.40 120.97 1opa s VAL 125 Ca 0.13 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1opa s VAL 125 Cb -0.12 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1opa s VAL 125 CO 0.02 0.53 -0.16 0.00 0.00 0.00 0.00 175.10 175.50 1opa s ARG 127 N 0.45 3.53 0.05 0.00 0.52 -0.50 -1.32 118.95 121.67 1opa s ARG 127 Ca -0.11 -0.58 0.06 0.00 -0.52 0.00 0.00 55.73 54.58 1opa s ARG 127 Cb -0.16 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 1opa s ARG 127 CO 0.05 0.06 -0.17 -0.65 0.02 0.00 0.00 175.30 174.61 1opa s GLN 128 N 0.83 1.08 -0.02 3.54 -0.21 0.02 -0.75 119.66 124.16 1opa s GLN 128 Ca -0.01 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 54.51 1opa s GLN 128 Cb -0.15 -1.15 0.00 0.00 1.00 0.00 0.00 33.01 32.72 1opa s GLN 128 CO 0.02 0.28 -0.08 0.08 -2.12 0.00 0.00 175.29 173.47 1opa s VAL 129 N -0.92 0.67 0.20 1.09 1.01 -1.09 -1.22 120.40 120.13 1opa s VAL 129 Ca 0.04 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.78 1opa s VAL 129 Cb -0.09 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1opa s VAL 129 CO 0.02 0.21 -0.11 -0.36 0.00 0.00 0.00 175.10 174.86 1opa s PHE 130 N 0.18 1.63 -0.01 5.22 0.40 -0.09 -0.50 117.98 124.81 1opa s PHE 130 Ca -0.02 -0.65 0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1opa s PHE 130 Cb -0.08 -0.80 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 1opa s PHE 130 CO 0.00 0.26 -0.16 0.21 0.70 0.00 0.00 175.22 176.23 1opa s LYS 131 N -3.69 1.29 0.26 0.44 2.20 -0.24 -1.75 119.74 118.24 1opa s LYS 131 Ca 0.22 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 1opa s LYS 131 Cb 0.01 -1.25 -0.09 0.00 -1.51 0.00 0.00 37.83 34.99 1opa s LYS 131 CO 0.06 0.34 1.07 0.21 -0.36 0.00 0.00 175.35 176.68 1opa s LYS 132 N -0.45 4.67 0.00 4.03 2.20 -0.25 -1.04 119.74 128.90 1opa s LYS 132 Ca 0.06 1.74 0.20 0.00 -0.36 0.00 0.00 55.97 57.61 1opa s LYS 132 Cb -0.06 -3.22 0.16 0.00 -1.51 0.00 0.00 37.83 33.20 1opa s LYS 132 CO -0.00 0.24 1.13 1.17 -0.36 0.00 0.00 175.35 177.53