#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 1.39 -0.23 -2.82 2.20 -1.26 -4.85 119.74 114.18 1opa s LYS 2 Ca 0.00 -0.77 -0.25 0.00 -0.36 0.00 0.00 55.97 54.60 1opa s LYS 2 Cb 0.00 0.55 -0.01 0.00 -1.51 0.00 0.00 37.83 36.86 1opa s LYS 2 CO 0.00 -0.60 0.84 0.34 -0.36 0.00 0.00 175.35 175.57 1opa s ASP 3 N -2.84 6.87 -0.05 1.43 -1.08 -1.26 -4.93 116.67 114.80 1opa s ASP 3 Ca 0.07 1.08 0.09 0.00 -0.52 0.00 0.00 52.55 53.26 1opa s ASP 3 Cb -0.02 -2.44 0.18 0.00 -1.46 0.00 0.00 42.92 39.18 1opa s ASP 3 CO -0.05 -0.50 1.12 0.00 0.52 0.00 0.00 175.17 176.26 1opa n GLN 4 N 5.88 2.50 -1.96 4.34 6.02 -1.26 -4.92 117.38 127.98 1opa n GLN 4 Ca 0.06 -2.02 -0.41 0.00 -0.01 0.00 0.00 57.00 54.62 1opa n GLN 4 Cb 0.48 -1.26 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 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 -1.61 6.53 0.00 1.08 -0.87 -1.26 -4.64 114.94 114.17 1opa s ASN 5 Ca 0.17 2.86 0.00 0.00 -1.57 0.00 0.00 52.86 54.32 1opa s ASN 5 Cb 0.13 -2.66 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 1opa s ASN 5 CO 0.04 -0.72 0.00 0.61 -2.57 0.00 0.00 177.10 174.46 1opa n GLY 6 N 0.63 0.97 3.51 0.66 0.00 -0.85 -4.95 105.19 105.15 1opa n GLY 6 Ca 0.01 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.54 4.10 -0.09 2.61 2.01 -1.26 -1.20 115.64 120.26 1opa s THR 7 Ca 0.00 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1opa s THR 7 Cb 0.00 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.69 1opa s THR 7 CO 0.00 0.46 -0.17 0.26 -0.69 0.00 0.00 174.62 174.48 1opa s TRP 8 N 0.59 1.99 -0.18 4.92 0.52 0.67 -0.78 118.94 126.67 1opa s TRP 8 Ca -0.01 -0.85 -0.04 0.00 0.02 0.00 0.00 56.10 55.23 1opa s TRP 8 Cb -0.14 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1opa s TRP 8 CO 0.02 -0.40 -0.03 -1.21 0.02 0.00 0.00 176.95 175.35 1opa s GLU 9 N 0.69 3.57 0.29 4.98 2.02 0.26 -0.88 118.70 129.63 1opa s GLU 9 Ca -0.13 -0.55 -0.30 0.00 0.02 0.00 0.00 54.97 54.01 1opa s GLU 9 Cb -0.16 -2.96 -0.12 0.00 0.10 0.00 0.00 34.13 30.98 1opa s GLU 9 CO 0.03 0.08 1.51 -0.12 0.02 0.00 0.00 175.26 176.77 1opa n MET 10 N 4.02 2.45 0.00 1.61 0.00 -0.15 -0.72 117.12 124.32 1opa n MET 10 Ca -0.17 0.87 0.00 0.00 -0.00 0.00 0.00 57.70 58.39 1opa n MET 10 Cb 0.52 -2.59 0.00 0.00 0.00 0.00 0.00 33.22 31.15 1opa n MET 10 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1opa n GLU 11 N 1.87 5.37 -3.64 2.12 0.28 -0.19 -4.71 120.64 121.73 1opa n GLU 11 Ca 0.09 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.92 1opa n GLU 11 Cb 0.35 -0.42 -0.08 0.00 1.43 0.00 0.00 31.44 32.72 1opa n GLU 11 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1opa s SER 12 N -0.77 -0.51 -0.30 -1.84 0.15 -1.17 -4.99 113.70 104.27 1opa s SER 12 Ca 0.00 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.37 1opa s SER 12 Cb 0.00 0.68 0.18 0.00 -1.71 0.00 0.00 66.02 65.16 1opa s SER 12 CO 0.00 -0.43 0.48 0.21 1.20 0.00 0.00 173.24 174.71 1opa s ASN 13 N -0.74 -0.41 -0.16 5.45 2.47 -1.26 -2.56 114.94 117.73 1opa s ASN 13 Ca -0.08 -0.23 -0.06 0.00 0.42 0.00 0.00 52.86 52.91 1opa s ASN 13 Cb -0.03 1.47 -0.04 0.00 -1.45 0.00 0.00 41.25 41.20 1opa s ASN 13 CO 0.05 -0.32 0.06 -0.70 -3.72 0.00 0.00 177.10 172.47 1opa s GLU 14 N 2.59 3.72 -1.61 0.43 2.12 0.15 -4.66 118.70 121.44 1opa s GLU 14 Ca 0.10 -0.33 -0.16 0.00 0.36 0.00 0.00 54.97 54.94 1opa s GLU 14 Cb -0.11 -3.12 0.12 0.00 0.26 0.00 0.00 34.13 31.27 1opa s GLU 14 CO -0.27 0.41 0.91 -1.71 -0.54 0.00 0.00 175.26 174.06 1opa n ASN 15 N 3.08 -4.24 0.19 -1.70 5.15 -1.26 -1.61 115.26 114.89 1opa n ASN 15 Ca -0.17 -0.88 0.03 0.00 -0.60 0.00 0.00 54.58 52.96 1opa n ASN 15 Cb 0.53 -3.41 0.39 0.00 -0.53 0.00 0.00 39.78 36.76 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 -1.84 0.00 -0.32 1.20 3.57 -1.89 -2.62 116.94 115.04 1opa h PHE 16 Ca -0.58 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 60.86 1opa h PHE 16 Cb 1.38 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1opa h PHE 16 CO 0.60 0.33 -0.01 1.49 -2.23 0.00 0.00 178.31 178.49 1opa h GLU 17 N 0.00 0.57 -0.81 1.11 4.22 -1.96 -1.17 114.58 116.53 1opa h GLU 17 Ca -0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 59.36 59.21 1opa h GLU 17 Cb 0.60 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1opa h GLU 17 CO 0.04 0.71 0.35 0.78 -2.18 0.00 0.00 179.01 178.71 1opa h GLY 18 N 0.36 1.28 0.97 1.92 0.00 -1.90 -0.70 103.07 105.00 1opa h GLY 18 Ca 0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1opa h GLY 18 CO 0.02 0.64 -0.12 -1.82 0.00 0.00 0.00 176.54 175.25 1opa h TYR 19 N 1.17 -0.32 -0.29 5.60 3.20 -1.18 -0.68 116.97 124.47 1opa h TYR 19 Ca 0.27 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1opa h TYR 19 Cb 0.18 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1opa h TYR 19 CO 0.02 -0.17 0.07 0.52 -1.64 0.00 0.00 178.16 176.95 1opa h MET 20 N -0.38 0.41 -0.21 1.82 2.86 -1.05 -2.27 114.93 116.11 1opa h MET 20 Ca -0.04 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1opa h MET 20 Cb 0.29 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1opa h MET 20 CO 0.06 0.38 -0.47 -0.22 1.06 0.00 0.00 176.91 177.72 1opa h LYS 21 N 0.40 0.54 0.00 1.72 3.64 -0.77 -1.82 116.57 120.28 1opa h LYS 21 Ca 0.10 -0.30 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 1opa h LYS 21 Cb 0.16 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1opa h LYS 21 CO -0.00 0.89 -0.33 0.00 -2.27 0.00 0.00 179.45 177.73 1opa h ALA 22 N 1.06 1.37 -0.00 5.00 0.00 -0.62 -2.03 119.26 124.04 1opa h ALA 22 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1opa h ALA 22 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1opa h ALA 22 CO 0.09 0.42 -0.00 1.28 0.00 0.00 0.00 179.25 181.03 1opa n LEU 23 N -4.03 0.14 -2.12 0.00 4.77 -0.80 -4.91 117.00 110.06 1opa n LEU 23 Ca -0.02 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 1opa n LEU 23 Cb 0.39 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1opa n LEU 23 CO 0.38 0.02 -0.12 0.47 -1.33 0.00 0.00 177.39 176.81 1opa n ASP 24 N -0.94 -5.01 -4.73 -1.43 8.00 -0.76 -4.81 116.55 106.87 1opa n ASP 24 Ca 0.22 -0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 1opa n ASP 24 Cb 0.15 -4.00 -0.03 0.00 -0.02 0.00 0.00 41.12 37.22 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 -2.92 3.47 0.62 0.53 1.01 -0.75 -4.96 121.20 118.20 1opa s ILE 25 Ca 0.11 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 61.71 1opa s ILE 25 Cb -0.05 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1opa s ILE 25 CO 0.13 0.13 1.20 1.51 0.00 0.00 0.00 174.94 177.92 1opa s ASP 26 N 0.65 5.03 0.20 3.58 -4.77 -1.26 -4.67 116.67 115.43 1opa s ASP 26 Ca 0.58 2.36 -0.16 0.00 -3.30 0.00 0.00 52.55 52.03 1opa s ASP 26 Cb -0.34 -2.59 0.19 0.00 -1.09 0.00 0.00 42.92 39.08 1opa s ASP 26 CO 0.34 -1.70 1.62 0.15 0.70 0.00 0.00 175.17 176.28 1opa h PHE 27 N 0.65 -0.50 -0.53 2.11 3.57 -2.00 -2.02 116.94 118.23 1opa h PHE 27 Ca -0.50 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.09 1opa h PHE 27 Cb 1.29 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 40.31 1opa h PHE 27 CO 0.47 -0.30 0.31 0.00 -2.23 0.00 0.00 178.31 176.56 1opa h ALA 28 N 1.41 0.68 -0.32 2.41 0.00 -2.01 -1.66 119.26 119.78 1opa h ALA 28 Ca 0.27 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1opa h ALA 28 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1opa h ALA 28 CO -0.64 0.00 -0.19 1.15 0.00 0.00 0.00 179.25 179.58 1opa h THR 29 N 0.60 1.26 -0.54 0.00 2.02 -1.80 -2.94 112.91 111.50 1opa h THR 29 Ca 0.22 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1opa h THR 29 Cb 0.05 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1opa h THR 29 CO -0.11 0.39 0.23 0.03 0.37 0.00 0.00 175.52 176.43 1opa h ARG 30 N 0.53 0.80 -0.97 6.66 3.08 -0.63 -0.16 114.38 123.69 1opa h ARG 30 Ca 0.08 -0.14 0.10 0.00 0.07 0.00 0.00 59.98 60.10 1opa h ARG 30 Cb 0.62 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 1opa h ARG 30 CO 0.04 0.69 0.61 0.87 -1.07 0.00 0.00 179.97 181.11 1opa h LYS 31 N 0.74 0.98 -0.29 0.04 1.79 -1.22 -1.20 116.57 117.39 1opa h LYS 31 Ca 0.18 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1opa h LYS 31 Cb 0.18 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1opa h LYS 31 CO -0.02 0.65 0.00 0.44 -1.08 0.00 0.00 179.45 179.44 1opa n ILE 32 N -4.61 0.38 0.01 1.86 -5.35 -1.00 -4.46 119.36 106.19 1opa n ILE 32 Ca 0.17 -0.56 -0.22 0.00 -0.27 0.00 0.00 62.75 61.87 1opa n ILE 32 Cb 0.30 0.69 -0.14 0.00 -1.74 0.00 0.00 39.64 38.75 1opa n ILE 32 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1opa h ALA 33 N 4.28 0.27 -0.09 -1.28 0.00 0.25 -3.45 119.26 119.24 1opa h ALA 33 Ca 0.00 -1.22 -0.27 0.00 0.00 0.00 0.00 54.91 53.42 1opa h ALA 33 Cb 0.75 0.58 0.05 0.00 0.00 0.00 0.00 17.79 19.16 1opa h ALA 33 CO 0.00 1.03 0.72 0.28 0.00 0.00 0.00 179.25 181.28 1opa n VAL 34 N -3.74 0.34 -2.79 0.00 0.31 -1.20 -4.94 118.33 106.32 1opa n VAL 34 Ca -0.28 -0.34 -0.40 0.00 -0.01 0.00 0.00 64.34 63.31 1opa n VAL 34 Cb 0.97 -2.04 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 1opa n VAL 34 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1opa s ARG 35 N 7.59 4.73 0.02 5.55 1.81 -1.26 -4.97 118.95 132.42 1opa s ARG 35 Ca 0.75 1.40 0.22 0.00 -1.72 0.00 0.00 55.73 56.38 1opa s ARG 35 Cb 0.03 -3.32 -0.09 0.00 -0.45 0.00 0.00 34.95 31.12 1opa s ARG 35 CO 0.23 0.39 0.90 1.28 -0.68 0.00 0.00 175.30 177.42 1opa n LEU 36 N 2.10 0.58 -4.34 2.53 7.99 -1.26 -4.78 117.00 119.83 1opa n LEU 36 Ca -0.01 -0.12 -0.34 0.00 -0.01 0.00 0.00 56.01 55.53 1opa n LEU 36 Cb 0.48 -0.06 -0.14 0.00 -0.11 0.00 0.00 43.42 43.60 1opa n LEU 36 CO 0.50 0.08 -0.39 -0.89 -1.51 0.00 0.00 177.39 175.17 1opa s THR 37 N -3.21 3.35 -0.04 -5.08 2.01 -1.26 -4.72 115.64 106.69 1opa s THR 37 Ca 0.02 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 1opa s THR 37 Cb 0.15 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 70.18 1opa s THR 37 CO 0.84 0.45 0.26 -1.10 -0.69 0.00 0.00 174.62 174.38 1opa s GLN 38 N 1.15 0.50 -0.05 4.92 -0.21 -1.26 -4.71 119.66 120.01 1opa s GLN 38 Ca 0.02 -0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.43 1opa s GLN 38 Cb -0.14 0.22 -0.01 0.00 1.00 0.00 0.00 33.01 34.08 1opa s GLN 38 CO -0.01 -0.12 -0.23 0.99 -2.12 0.00 0.00 175.29 173.80 1opa s THR 39 N -0.81 1.91 -0.13 -0.19 2.01 -0.67 -0.98 115.64 116.78 1opa s THR 39 Ca -0.09 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1opa s THR 39 Cb -0.05 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1opa s THR 39 CO 0.02 0.53 -0.22 -0.75 -0.69 0.00 0.00 174.62 173.51 1opa s LYS 40 N -0.19 3.05 -0.07 4.92 2.20 -0.06 -0.72 119.74 128.87 1opa s LYS 40 Ca -0.01 -0.85 0.04 0.00 -0.36 0.00 0.00 55.97 54.78 1opa s LYS 40 Cb -0.13 -2.40 -0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1opa s LYS 40 CO 0.03 0.07 -0.20 -1.50 -0.36 0.00 0.00 175.35 173.38 1opa s ILE 41 N 0.62 1.70 -0.09 5.43 1.10 -0.37 -0.24 121.20 129.35 1opa s ILE 41 Ca -0.12 -0.84 0.03 0.00 -0.51 0.00 0.00 60.65 59.21 1opa s ILE 41 Cb -0.16 -1.47 0.01 0.00 0.15 0.00 0.00 42.46 40.98 1opa s ILE 41 CO 0.03 0.48 -0.17 -0.63 -2.11 0.00 0.00 174.94 172.53 1opa s ILE 42 N 0.24 1.59 -0.22 2.00 1.01 -0.34 -1.56 121.20 123.92 1opa s ILE 42 Ca -0.11 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1opa s ILE 42 Cb -0.15 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.91 1opa s ILE 42 CO 0.05 0.46 -0.08 -0.69 0.00 0.00 0.00 174.94 174.67 1opa s VAL 43 N 0.69 2.90 -0.15 2.92 1.01 -0.10 -2.02 120.40 125.66 1opa s VAL 43 Ca -0.13 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1opa s VAL 43 Cb -0.16 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1opa s VAL 43 CO 0.03 0.38 -0.07 -1.58 0.00 0.00 0.00 175.10 173.86 1opa s GLN 44 N 1.38 1.58 -0.30 2.72 0.74 -1.26 -1.06 119.66 123.46 1opa s GLN 44 Ca 0.04 -0.46 -0.00 0.00 0.05 0.00 0.00 55.36 54.99 1opa s GLN 44 Cb -0.15 -1.91 0.09 0.00 1.10 0.00 0.00 33.01 32.15 1opa s GLN 44 CO -0.06 -0.36 0.08 0.34 -0.55 0.00 0.00 175.29 174.73 1opa s ASP 45 N 1.63 4.04 1.82 6.67 2.15 -0.39 -4.93 116.67 127.67 1opa s ASP 45 Ca 0.02 -1.62 0.00 0.00 0.43 0.00 0.00 52.55 51.38 1opa s ASP 45 Cb -0.14 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.51 1opa s ASP 45 CO -0.08 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 1opa n GLY 46 N 4.77 3.69 0.02 2.66 0.00 -1.26 -1.60 105.19 113.46 1opa n GLY 46 Ca -0.02 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 7.73 0.17 -4.75 1.61 5.68 -1.26 -4.83 116.55 120.89 1opa n ASP 47 Ca 0.00 0.08 -0.37 0.00 -0.50 0.00 0.00 54.79 54.00 1opa n ASP 47 Cb 0.00 -0.26 -0.07 0.00 -1.14 0.00 0.00 41.12 39.65 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 -2.84 6.46 -0.05 -1.12 -0.87 -0.63 -1.31 114.94 114.59 1opa s ASN 48 Ca 0.18 0.54 0.06 0.00 -1.57 0.00 0.00 52.86 52.08 1opa s ASN 48 Cb 0.19 -2.18 -0.01 0.00 -0.02 0.00 0.00 41.25 39.23 1opa s ASN 48 CO 0.54 0.15 -0.24 -0.36 -2.57 0.00 0.00 177.10 174.62 1opa s PHE 49 N 0.17 2.34 -0.16 2.20 0.40 -0.20 -1.27 117.98 121.46 1opa s PHE 49 Ca 0.17 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1opa s PHE 49 Cb -0.13 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 41.90 1opa s PHE 49 CO 0.05 -0.17 -0.11 0.15 0.70 0.00 0.00 175.22 175.84 1opa s LYS 50 N -0.25 1.97 0.09 0.44 3.01 -0.22 -1.96 119.74 122.82 1opa s LYS 50 Ca -0.01 -0.62 0.06 0.00 -1.01 0.00 0.00 55.97 54.40 1opa s LYS 50 Cb -0.13 -2.14 -0.03 0.00 -1.01 0.00 0.00 37.83 34.52 1opa s LYS 50 CO 0.02 -0.34 -0.15 0.95 0.51 0.00 0.00 175.35 176.34 1opa s THR 51 N 1.51 1.30 -0.04 2.17 -4.23 0.36 -0.92 115.64 115.80 1opa s THR 51 Ca 0.02 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1opa s THR 51 Cb -0.14 -1.31 0.02 0.00 1.34 0.00 0.00 72.50 72.41 1opa s THR 51 CO -0.09 -0.25 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.16 1opa s LYS 52 N -2.06 0.73 -0.32 3.99 1.02 -0.60 -1.28 119.74 121.22 1opa s LYS 52 Ca 0.03 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 55.94 1opa s LYS 52 Cb -0.08 -0.74 0.09 0.00 -0.52 0.00 0.00 37.83 36.57 1opa s LYS 52 CO 0.03 -0.05 0.02 0.99 -0.92 0.00 0.00 175.35 175.42 1opa s THR 53 N 0.74 2.33 -0.16 2.17 2.01 0.10 -1.24 115.64 121.59 1opa s THR 53 Ca -0.10 -2.13 -0.03 0.00 0.31 0.00 0.00 61.69 59.74 1opa s THR 53 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1opa s THR 53 CO 0.00 -0.45 -0.05 0.20 -0.69 0.00 0.00 174.62 173.63 1opa s ASN 54 N 1.01 4.65 0.27 3.53 0.01 0.11 -1.53 114.94 122.98 1opa s ASN 54 Ca 0.05 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1opa s ASN 54 Cb -0.19 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 1opa s ASN 54 CO -0.07 0.15 0.14 -0.94 -1.51 0.00 0.00 177.10 174.87 1opa s SER 55 N 0.49 1.09 0.51 -1.22 1.04 -1.11 -1.68 113.70 112.83 1opa s SER 55 Ca -0.04 -1.48 0.28 0.00 0.48 0.00 0.00 55.95 55.19 1opa s SER 55 Cb -0.14 0.33 1.38 0.00 0.10 0.00 0.00 66.02 67.68 1opa s SER 55 CO 0.03 -0.84 2.03 0.74 0.98 0.00 0.00 173.24 176.18 1opa h THR 56 N 2.36 0.49 0.06 2.02 2.02 -1.99 -3.29 112.91 114.58 1opa h THR 56 Ca -0.35 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 1opa h THR 56 Cb 1.25 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1opa h THR 56 CO 0.54 0.13 -0.03 0.15 0.37 0.00 0.00 175.52 176.68 1opa h PHE 57 N 0.00 -0.08 -2.88 3.16 3.57 -1.92 -3.49 116.94 115.30 1opa h PHE 57 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1opa h PHE 57 Cb 0.42 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 1opa h PHE 57 CO 0.00 0.44 0.27 0.50 -2.23 0.00 0.00 178.31 177.29 1opa s ARG 58 N -2.56 1.43 0.07 1.11 3.52 -1.24 -5.15 118.95 116.12 1opa s ARG 58 Ca -0.12 -0.67 0.08 0.00 -0.13 0.00 0.00 55.73 54.89 1opa s ARG 58 Cb -0.01 0.56 -0.03 0.00 -1.56 0.00 0.00 34.95 33.92 1opa s ARG 58 CO 0.43 -0.64 -0.21 -0.80 -0.81 0.00 0.00 175.30 173.28 1opa s ASN 59 N -2.81 2.48 -0.01 -2.12 0.02 -1.26 -2.74 114.94 108.50 1opa s ASN 59 Ca 0.06 -0.58 0.07 0.00 -1.02 0.00 0.00 52.86 51.39 1opa s ASN 59 Cb -0.03 -0.18 -0.02 0.00 0.02 0.00 0.00 41.25 41.04 1opa s ASN 59 CO -0.04 0.12 -0.23 -0.47 0.02 0.00 0.00 177.10 176.50 1opa s TYR 60 N -0.94 2.05 -0.05 2.20 5.04 -0.58 -5.00 117.35 120.07 1opa s TYR 60 Ca 0.07 -0.39 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 1opa s TYR 60 Cb -0.09 -1.31 0.01 0.00 0.35 0.00 0.00 41.96 40.92 1opa s TYR 60 CO 0.03 -0.02 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.62 1opa s ASP 61 N -0.60 1.36 -0.07 4.32 1.01 -1.26 -0.72 116.67 120.71 1opa s ASP 61 Ca 0.09 -0.22 -0.03 0.00 0.71 0.00 0.00 52.55 53.10 1opa s ASP 61 Cb -0.09 -0.58 0.04 0.00 1.01 0.00 0.00 42.92 43.30 1opa s ASP 61 CO -0.01 0.01 0.15 -0.22 0.21 0.00 0.00 175.17 175.32 1opa s LEU 62 N 0.63 0.73 -0.02 1.23 2.96 -0.41 -5.00 118.68 118.81 1opa s LEU 62 Ca -0.11 0.31 0.08 0.00 -0.22 0.00 0.00 54.13 54.19 1opa s LEU 62 Cb -0.14 0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.92 1opa s LEU 62 CO 0.02 -0.15 -0.25 -1.81 -1.32 0.00 0.00 176.35 172.84 1opa s ASP 63 N 1.13 2.98 0.05 3.68 1.11 -1.26 -0.48 116.67 123.88 1opa s ASP 63 Ca -0.09 -0.46 -0.27 0.00 0.18 0.00 0.00 52.55 51.91 1opa s ASP 63 Cb -0.11 -0.33 0.09 0.00 1.07 0.00 0.00 42.92 43.64 1opa s ASP 63 CO -0.06 0.31 0.84 0.72 1.18 0.00 0.00 175.17 178.17 1opa s PHE 64 N -0.60 -0.35 -0.09 4.23 -0.12 -0.83 -5.03 117.98 115.20 1opa s PHE 64 Ca 0.10 0.17 0.03 0.00 -0.05 0.00 0.00 56.93 57.18 1opa s PHE 64 Cb -0.10 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.84 1opa s PHE 64 CO -0.01 -0.65 -0.20 0.99 -0.05 0.00 0.00 175.22 175.30 1opa s THR 65 N -3.27 2.47 0.19 -4.49 2.01 -1.26 -1.03 115.64 110.26 1opa s THR 65 Ca 0.05 -0.89 -0.33 0.00 0.31 0.00 0.00 61.69 60.83 1opa s THR 65 Cb -0.01 -1.96 -0.13 0.00 0.01 0.00 0.00 72.50 70.41 1opa s THR 65 CO -0.08 0.56 1.67 0.52 -0.69 0.00 0.00 174.62 176.59 1opa n VAL 66 N 3.20 0.00 -0.71 3.82 0.31 -0.43 -2.47 118.33 122.05 1opa n VAL 66 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1opa n VAL 66 Cb 0.52 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1opa n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1opa n GLY 67 N 3.74 0.90 3.23 2.92 0.00 0.21 -5.01 105.19 111.18 1opa n GLY 67 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.45 3.01 0.38 1.61 1.01 -1.03 -5.03 120.40 116.90 1opa s VAL 68 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 1opa s VAL 68 Cb 0.00 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 1opa s VAL 68 CO 0.00 0.26 1.25 -0.70 0.00 0.00 0.00 175.10 175.91 1opa s GLU 69 N 1.37 4.11 0.10 2.72 2.12 -1.26 -4.69 118.70 123.16 1opa s GLU 69 Ca 0.02 2.04 -0.08 0.00 0.36 0.00 0.00 54.97 57.31 1opa s GLU 69 Cb -0.16 -2.82 -0.00 0.00 0.26 0.00 0.00 34.13 31.41 1opa s GLU 69 CO -0.04 -0.34 0.19 -0.59 -0.54 0.00 0.00 175.26 173.95 1opa s PHE 70 N -1.28 0.22 -0.09 5.30 -0.71 0.21 -4.98 117.98 116.64 1opa s PHE 70 Ca 0.55 -0.64 -0.16 0.00 -1.04 0.00 0.00 56.93 55.64 1opa s PHE 70 Cb -0.36 -0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.33 1opa s PHE 70 CO 0.46 -0.57 0.41 -0.51 -1.34 0.00 0.00 175.22 173.67 1opa s ASP 71 N -2.88 6.66 -0.05 1.98 1.01 -1.26 -0.21 116.67 121.91 1opa s ASP 71 Ca 0.07 0.78 0.07 0.00 0.71 0.00 0.00 52.55 54.18 1opa s ASP 71 Cb 0.05 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1opa s ASP 71 CO -0.09 0.13 -0.25 -0.70 0.21 0.00 0.00 175.17 174.47 1opa s GLU 72 N 0.05 2.42 -0.30 8.23 2.12 -0.36 -4.95 118.70 125.91 1opa s GLU 72 Ca 0.23 -0.91 -0.01 0.00 0.36 0.00 0.00 54.97 54.64 1opa s GLU 72 Cb -0.15 -2.14 0.06 0.00 0.26 0.00 0.00 34.13 32.16 1opa s GLU 72 CO 0.09 0.44 0.00 -1.01 -0.54 0.00 0.00 175.26 174.25 1opa s HIS 73 N -0.31 3.30 -0.86 5.30 3.76 -1.26 -1.35 115.29 123.86 1opa s HIS 73 Ca 0.01 -1.98 -0.07 0.00 -0.15 0.00 0.00 55.06 52.87 1opa s HIS 73 Cb -0.13 -2.17 -0.09 0.00 1.11 0.00 0.00 32.58 31.30 1opa s HIS 73 CO 0.02 -0.83 3.05 0.25 -0.85 0.00 0.00 174.74 176.39 1opa n THR 74 N 4.59 3.90 -1.75 1.30 -2.24 0.05 -4.93 114.28 115.20 1opa n THR 74 Ca -0.12 -2.60 -0.41 0.00 -2.27 0.00 0.00 64.05 58.65 1opa n THR 74 Cb 0.43 -2.16 -0.02 0.00 -2.10 0.00 0.00 70.33 66.48 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 0.60 4.11 0.00 -0.78 -2.85 -1.26 0.17 119.74 119.73 1opa s LYS 75 Ca 0.65 2.61 0.00 0.00 -1.00 0.00 0.00 55.97 58.22 1opa s LYS 75 Cb 0.26 -3.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.01 1opa s LYS 75 CO -0.07 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 175.13 1opa n GLY 76 N 2.21 1.99 0.00 0.59 0.00 -1.26 -4.85 105.19 103.86 1opa n GLY 76 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1opa n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1opa n LEU 77 N 0.00 0.00 -0.02 0.99 7.94 -0.87 -4.97 117.00 120.07 1opa n LEU 77 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 1opa n LEU 77 Cb 0.00 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.34 1opa n LEU 77 CO 0.00 0.00 0.64 -0.90 -1.11 0.00 0.00 177.39 176.02 1opa n ASP 78 N 0.00 0.37 -2.82 1.96 5.75 -1.19 -4.98 116.55 115.64 1opa n ASP 78 Ca 0.00 -0.07 -0.19 0.00 -0.01 0.00 0.00 54.79 54.53 1opa n ASP 78 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.15 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 1.48 -0.25 3.98 6.12 0.00 0.13 -4.99 105.19 111.66 1opa n GLY 79 Ca 0.07 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.88 3.06 -0.18 1.61 0.52 -1.26 -4.77 118.95 112.05 1opa s ARG 80 Ca 0.40 -1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 54.49 1opa s ARG 80 Cb -0.18 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 1opa s ARG 80 CO 0.50 0.03 0.05 -0.80 0.02 0.00 0.00 175.30 175.09 1opa s ASN 81 N -4.18 5.50 0.05 0.23 0.01 -1.26 -0.77 114.94 114.52 1opa s ASN 81 Ca 0.46 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.67 1opa s ASN 81 Cb -0.09 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 1opa s ASN 81 CO 0.31 0.18 -0.05 0.68 -1.51 0.00 0.00 177.10 176.71 1opa s VAL 82 N 0.34 0.38 -0.29 1.60 -7.23 -0.45 -4.78 120.40 109.97 1opa s VAL 82 Ca 0.02 -1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 1opa s VAL 82 Cb -0.13 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 1opa s VAL 82 CO 0.01 -0.70 0.19 -0.54 -0.31 0.00 0.00 175.10 173.75 1opa s LYS 83 N -2.73 3.87 -0.09 4.82 1.02 -0.43 -1.23 119.74 124.96 1opa s LYS 83 Ca -0.02 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 1opa s LYS 83 Cb -0.01 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 1opa s LYS 83 CO -0.04 -0.22 -0.04 0.99 -0.92 0.00 0.00 175.35 175.12 1opa s THR 84 N 1.75 3.97 -0.02 2.17 2.01 0.71 -0.77 115.64 125.45 1opa s THR 84 Ca 0.07 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1opa s THR 84 Cb -0.16 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.70 1opa s THR 84 CO 0.11 0.59 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.38 1opa s LEU 85 N -0.65 1.54 -0.15 4.42 2.96 -0.81 -0.62 118.68 125.37 1opa s LEU 85 Ca 0.10 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1opa s LEU 85 Cb -0.12 -0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.36 1opa s LEU 85 CO 0.02 -0.04 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.13 1opa s VAL 86 N 0.54 2.31 0.29 1.68 1.01 -1.26 -1.67 120.40 123.30 1opa s VAL 86 Ca -0.06 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1opa s VAL 86 Cb -0.09 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1opa s VAL 86 CO -0.01 0.53 0.14 0.42 0.00 0.00 0.00 175.10 176.18 1opa s THR 87 N 0.83 0.39 -0.17 3.92 -4.23 -0.24 -0.62 115.64 115.52 1opa s THR 87 Ca -0.06 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.37 1opa s THR 87 Cb -0.15 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1opa s THR 87 CO -0.01 0.00 0.11 0.26 -0.54 0.00 0.00 174.62 174.44 1opa s TRP 88 N -3.67 3.42 -0.42 3.99 0.52 -1.26 -0.69 118.94 120.83 1opa s TRP 88 Ca 0.36 0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.84 1opa s TRP 88 Cb 0.06 -2.07 0.11 0.00 -1.15 0.00 0.00 33.47 30.42 1opa s TRP 88 CO 0.16 0.39 0.15 -2.00 0.02 0.00 0.00 176.95 175.66 1opa s GLU 89 N -0.04 1.62 7.97 4.98 2.12 -0.06 -4.97 118.70 130.31 1opa s GLU 89 Ca 0.09 -2.14 0.00 0.00 0.36 0.00 0.00 54.97 53.28 1opa s GLU 89 Cb -0.12 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1opa s GLU 89 CO 0.00 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 1opa n GLY 90 N 3.78 3.86 1.33 -1.50 0.00 -1.26 -1.26 105.19 110.13 1opa n GLY 90 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1opa n GLY 90 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1opa n ASN 91 N 8.73 4.49 -4.66 1.61 3.02 -1.26 0.70 115.26 127.89 1opa n ASN 91 Ca 0.00 -2.66 -0.35 0.00 -0.03 0.00 0.00 54.58 51.54 1opa n ASN 91 Cb 0.00 -0.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.53 1opa n ASN 91 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1opa s THR 92 N -2.22 5.02 -0.20 3.41 2.01 -0.39 -4.65 115.64 118.62 1opa s THR 92 Ca 0.46 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 62.26 1opa s THR 92 Cb 0.32 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1opa s THR 92 CO 0.17 0.44 0.83 -0.22 -0.69 0.00 0.00 174.62 175.15 1opa s LEU 93 N 0.50 4.14 -0.10 4.42 2.96 -0.21 -0.88 118.68 129.51 1opa s LEU 93 Ca 0.05 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.12 1opa s LEU 93 Cb -0.12 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 1opa s LEU 93 CO 0.00 -0.44 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.70 1opa s VAL 94 N 2.40 2.48 -0.06 1.68 1.01 0.14 -1.23 120.40 126.81 1opa s VAL 94 Ca 0.37 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1opa s VAL 94 Cb -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1opa s VAL 94 CO 0.10 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.57 1opa s VAL 96 N 0.22 2.01 -0.39 0.00 1.01 -0.67 -1.96 120.40 120.62 1opa s VAL 96 Ca -0.10 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.87 1opa s VAL 96 Cb -0.14 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.64 1opa s VAL 96 CO 0.05 0.56 0.12 -1.10 0.00 0.00 0.00 175.10 174.72 1opa s GLN 97 N -0.16 1.56 0.10 2.72 -0.21 -0.37 -1.92 119.66 121.39 1opa s GLN 97 Ca -0.03 -2.04 -0.29 0.00 0.02 0.00 0.00 55.36 53.02 1opa s GLN 97 Cb -0.14 -3.13 -0.06 0.00 1.00 0.00 0.00 33.01 30.69 1opa s GLN 97 CO 0.03 -1.00 0.92 0.15 -2.12 0.00 0.00 175.29 173.28 1opa s LYS 98 N 0.60 4.66 0.00 2.91 3.01 0.05 -4.54 119.74 126.42 1opa s LYS 98 Ca 0.13 1.38 0.00 0.00 -1.01 0.00 0.00 55.97 56.46 1opa s LYS 98 Cb -0.21 -3.37 0.00 0.00 -1.01 0.00 0.00 37.83 33.24 1opa s LYS 98 CO -0.07 0.24 0.00 0.41 0.51 0.00 0.00 175.35 176.44 1opa n GLY 99 N 2.26 -0.78 0.20 -3.33 0.00 -1.26 -1.32 105.19 100.95 1opa n GLY 99 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.14 -5.81 1.61 4.57 -1.92 -3.43 114.58 109.74 1opa h GLU 100 Ca 0.00 -0.06 -0.57 0.00 -1.18 0.00 0.00 59.36 57.55 1opa h GLU 100 Cb 0.00 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 1opa h GLU 100 CO 0.00 0.49 -0.04 0.15 -1.18 0.00 0.00 179.01 178.43 1opa s LYS 101 N -4.23 4.35 0.47 1.92 -0.14 -1.26 -5.05 119.74 115.81 1opa s LYS 101 Ca -0.04 0.60 -0.20 0.00 -1.36 0.00 0.00 55.97 54.96 1opa s LYS 101 Cb 0.14 -3.46 -0.09 0.00 -1.68 0.00 0.00 37.83 32.74 1opa s LYS 101 CO 0.75 0.08 1.01 -1.21 -0.76 0.00 0.00 175.35 175.22 1opa s GLU 102 N 0.82 3.96 -1.44 1.68 2.02 -1.26 -4.05 118.70 120.43 1opa s GLU 102 Ca 0.30 1.27 -0.06 0.00 0.02 0.00 0.00 54.97 56.50 1opa s GLU 102 Cb -0.16 -2.13 0.04 0.00 0.10 0.00 0.00 34.13 31.98 1opa s GLU 102 CO 0.13 -0.28 0.70 -1.71 0.02 0.00 0.00 175.26 174.11 1opa n ASN 103 N -0.85 -2.07 -4.61 -0.19 5.15 -1.26 -0.48 115.26 110.96 1opa n ASN 103 Ca 0.08 -0.89 -0.35 0.00 -0.60 0.00 0.00 54.58 52.82 1opa n ASN 103 Cb 0.53 -3.57 -0.10 0.00 -0.53 0.00 0.00 39.78 36.11 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 -6.42 3.94 0.00 1.20 3.52 -1.26 -2.67 118.95 117.26 1opa s ARG 104 Ca 0.25 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 1opa s ARG 104 Cb -0.13 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1opa s ARG 104 CO 0.85 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.88 1opa n GLY 105 N 4.00 -0.54 3.49 8.12 0.00 -1.05 -1.23 105.19 117.98 1opa n GLY 105 Ca -0.16 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.41 -0.40 -0.00 1.61 1.48 -0.83 -1.55 118.94 115.84 1opa s TRP 106 Ca 0.00 0.30 0.03 0.00 -1.06 0.00 0.00 56.10 55.37 1opa s TRP 106 Cb 0.00 0.53 -0.01 0.00 -1.16 0.00 0.00 33.47 32.83 1opa s TRP 106 CO 0.00 -0.61 -0.09 0.15 -4.06 0.00 0.00 176.95 172.34 1opa s LYS 107 N -3.08 0.73 -0.03 3.25 1.02 -0.24 -1.24 119.74 120.15 1opa s LYS 107 Ca 0.03 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.65 1opa s LYS 107 Cb -0.01 -0.70 0.02 0.00 -0.52 0.00 0.00 37.83 36.62 1opa s LYS 107 CO -0.09 0.19 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.37 1opa s GLN 108 N -0.36 0.48 0.03 1.68 0.74 -0.37 -0.87 119.66 121.00 1opa s GLN 108 Ca 0.03 -0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.30 1opa s GLN 108 Cb -0.04 -0.57 0.01 0.00 1.10 0.00 0.00 33.01 33.51 1opa s GLN 108 CO -0.00 -0.08 0.23 1.67 -0.55 0.00 0.00 175.29 176.57 1opa s TRP 109 N 0.79 -0.02 -0.12 1.67 -2.14 -0.82 -1.04 118.94 117.25 1opa s TRP 109 Ca -0.09 -0.13 -0.04 0.00 2.66 0.00 0.00 56.10 58.50 1opa s TRP 109 Cb -0.12 0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.23 1opa s TRP 109 CO -0.01 -0.43 0.03 0.08 -2.66 0.00 0.00 176.95 173.96 1opa s VAL 110 N -2.32 4.58 -0.20 -0.66 1.01 -1.26 -1.00 120.40 120.55 1opa s VAL 110 Ca -0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1opa s VAL 110 Cb -0.02 -2.98 0.07 0.00 0.00 0.00 0.00 36.38 33.45 1opa s VAL 110 CO -0.02 0.56 0.09 -0.70 0.00 0.00 0.00 175.10 175.03 1opa s GLU 111 N -0.48 0.17 7.81 2.72 2.56 -0.03 -5.02 118.70 126.44 1opa s GLU 111 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.97 54.82 1opa s GLU 111 Cb -0.12 -1.72 0.00 0.00 2.00 0.00 0.00 34.13 34.29 1opa s GLU 111 CO 0.02 -0.75 0.00 0.41 -0.56 0.00 0.00 175.26 174.38 1opa n GLY 112 N 5.24 3.19 1.15 -1.50 0.00 -1.26 -2.22 105.19 109.79 1opa n GLY 112 Ca -0.07 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 8.32 4.17 -4.30 1.61 5.75 -1.26 -4.96 116.55 125.89 1opa n ASP 113 Ca 0.00 -2.67 -0.27 0.00 -0.01 0.00 0.00 54.79 51.84 1opa n ASP 113 Cb 0.00 -0.51 -0.14 0.00 -1.03 0.00 0.00 41.12 39.44 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 -2.22 1.50 -0.15 0.11 1.02 -0.94 -1.36 119.74 117.70 1opa s LYS 114 Ca 0.42 -1.06 -0.03 0.00 0.02 0.00 0.00 55.97 55.33 1opa s LYS 114 Cb 0.31 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.91 1opa s LYS 114 CO 0.15 0.43 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.79 1opa s LEU 115 N -1.35 3.18 -0.08 3.17 0.20 -0.38 -0.85 118.68 122.57 1opa s LEU 115 Ca 0.09 -0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.78 1opa s LEU 115 Cb -0.09 -1.76 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 1opa s LEU 115 CO 0.02 0.18 -0.11 -0.31 -0.29 0.00 0.00 176.35 175.85 1opa s TYR 116 N 0.29 2.83 -0.06 5.38 1.51 -0.17 -1.03 117.35 126.11 1opa s TYR 116 Ca -0.04 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1opa s TYR 116 Cb -0.14 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1opa s TYR 116 CO 0.03 0.12 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.37 1opa s LEU 117 N -0.40 1.27 -0.16 -1.29 2.96 -0.32 -1.95 118.68 118.79 1opa s LEU 117 Ca 0.05 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1opa s LEU 117 Cb -0.12 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 1opa s LEU 117 CO 0.02 -0.06 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.26 1opa s GLU 118 N 1.07 3.33 -0.06 1.98 2.02 -0.05 -0.75 118.70 126.23 1opa s GLU 118 Ca -0.08 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.24 1opa s GLU 118 Cb -0.14 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 1opa s GLU 118 CO -0.01 0.06 -0.12 -0.51 0.02 0.00 0.00 175.26 174.70 1opa s LEU 119 N 0.75 2.86 0.05 1.80 1.43 -0.12 -1.08 118.68 124.37 1opa s LEU 119 Ca -0.05 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1opa s LEU 119 Cb -0.15 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 1opa s LEU 119 CO 0.01 0.33 -0.10 0.42 0.23 0.00 0.00 176.35 177.24 1opa s THR 120 N -0.62 0.75 -0.30 5.49 -4.23 -0.59 -0.90 115.64 115.24 1opa s THR 120 Ca 0.09 -1.05 -0.09 0.00 -1.18 0.00 0.00 61.69 59.45 1opa s THR 120 Cb -0.11 -0.75 0.13 0.00 1.34 0.00 0.00 72.50 73.11 1opa s THR 120 CO 0.01 -0.25 0.64 0.00 -0.54 0.00 0.00 174.62 174.48 1opa n GLY 122 N 5.45 3.68 1.06 0.00 0.00 0.37 -1.29 105.19 114.46 1opa n GLY 122 Ca -0.11 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 7.55 3.16 -4.85 1.61 5.75 -1.26 -4.77 116.55 123.76 1opa n ASP 123 Ca 0.00 -1.95 -0.37 0.00 -0.01 0.00 0.00 54.79 52.46 1opa n ASP 123 Cb 0.00 -0.23 -0.06 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.55 3.86 -0.04 0.11 -1.52 -0.41 -5.09 119.66 115.02 1opa s GLN 124 Ca 0.38 0.34 0.03 0.00 -1.95 0.00 0.00 55.36 54.15 1opa s GLN 124 Cb 0.22 -3.17 0.01 0.00 -0.22 0.00 0.00 33.01 29.85 1opa s GLN 124 CO 0.31 0.67 -0.12 0.08 -0.25 0.00 0.00 175.29 175.97 1opa s VAL 125 N -1.15 1.07 -0.08 1.09 1.01 -1.26 -2.21 120.40 118.88 1opa s VAL 125 Ca 0.25 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1opa s VAL 125 Cb -0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1opa s VAL 125 CO 0.14 0.33 -0.18 0.00 0.00 0.00 0.00 175.10 175.38 1opa s ARG 127 N -0.17 2.73 0.05 0.00 0.52 -0.63 -0.95 118.95 120.50 1opa s ARG 127 Ca -0.02 -0.77 0.07 0.00 -0.52 0.00 0.00 55.73 54.49 1opa s ARG 127 Cb -0.14 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 1opa s ARG 127 CO 0.03 0.11 -0.19 -0.65 0.02 0.00 0.00 175.30 174.63 1opa s GLN 128 N 0.50 1.20 -0.03 3.54 -0.21 0.07 -0.68 119.66 124.05 1opa s GLN 128 Ca -0.16 -0.92 0.04 0.00 0.02 0.00 0.00 55.36 54.34 1opa s GLN 128 Cb -0.17 -1.30 -0.00 0.00 1.00 0.00 0.00 33.01 32.53 1opa s GLN 128 CO 0.06 0.32 -0.14 0.08 -2.12 0.00 0.00 175.29 173.50 1opa s VAL 129 N -0.88 1.16 0.09 1.09 1.01 -1.06 -1.18 120.40 120.63 1opa s VAL 129 Ca 0.05 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1opa s VAL 129 Cb -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1opa s VAL 129 CO 0.02 0.34 -0.14 -0.36 0.00 0.00 0.00 175.10 174.96 1opa s PHE 130 N 0.02 1.27 -0.06 5.22 0.40 -0.19 -1.02 117.98 123.61 1opa s PHE 130 Ca -0.02 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.84 1opa s PHE 130 Cb -0.09 -0.70 -0.03 0.00 0.51 0.00 0.00 43.02 42.71 1opa s PHE 130 CO 0.01 0.08 -0.11 0.21 0.70 0.00 0.00 175.22 176.11 1opa s LYS 131 N -2.05 2.63 0.15 0.44 2.20 0.10 -1.24 119.74 121.96 1opa s LYS 131 Ca 0.01 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 1opa s LYS 131 Cb -0.08 -2.48 -0.07 0.00 -1.51 0.00 0.00 37.83 33.68 1opa s LYS 131 CO 0.02 0.64 1.19 0.21 -0.36 0.00 0.00 175.35 177.05 1opa s LYS 132 N -0.76 4.49 0.00 4.03 2.20 -0.46 -0.57 119.74 128.67 1opa s LYS 132 Ca 0.12 1.82 0.27 0.00 -0.36 0.00 0.00 55.97 57.82 1opa s LYS 132 Cb -0.11 -3.28 0.82 0.00 -1.51 0.00 0.00 37.83 33.76 1opa s LYS 132 CO 0.01 -0.12 1.62 1.17 -0.36 0.00 0.00 175.35 177.67