#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m h THR 2 N 0.00 1.33 0.00 2.03 2.02 -2.03 -3.32 112.91 112.94 1b4m h THR 2 Ca 0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1b4m h THR 2 Cb 0.00 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1b4m h THR 2 CO 0.00 0.51 -0.88 2.29 0.37 0.00 0.00 175.52 177.81 1b4m n LYS 3 N -4.22 0.23 -2.58 6.66 0.00 -1.26 -4.88 118.16 112.11 1b4m n LYS 3 Ca -0.06 0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 57.85 1b4m n LYS 3 Cb 0.55 -1.59 -0.03 0.00 -0.00 0.00 0.00 35.03 33.96 1b4m n LYS 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1b4m s ASP 4 N -3.79 7.27 -0.45 -5.58 1.11 -1.25 -4.94 116.67 109.05 1b4m s ASP 4 Ca 0.05 1.90 0.07 0.00 0.18 0.00 0.00 52.55 54.75 1b4m s ASP 4 Cb 0.15 -2.58 0.27 0.00 1.07 0.00 0.00 42.92 41.83 1b4m s ASP 4 CO 0.78 -0.28 0.87 1.67 1.18 0.00 0.00 175.17 179.38 1b4m n GLN 5 N 3.35 0.85 -1.40 8.23 -0.06 -1.26 -4.74 117.38 122.35 1b4m n GLN 5 Ca 0.05 -2.22 -0.42 0.00 -2.00 0.00 0.00 57.00 52.42 1b4m n GLN 5 Cb 0.48 -1.33 0.01 0.00 -4.06 0.00 0.00 30.24 25.33 1b4m n GLN 5 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1b4m n ASN 6 N 1.13 -1.57 0.00 1.69 4.13 -1.26 -4.93 115.26 114.45 1b4m n ASN 6 Ca 0.12 0.86 0.00 0.00 1.68 0.00 0.00 54.58 57.25 1b4m n ASN 6 Cb 0.63 -1.04 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b4m n GLY 7 N 1.98 -0.94 3.21 7.41 0.00 -1.09 -5.02 105.19 110.73 1b4m n GLY 7 Ca 0.11 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 1b4m n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b4m s THR 8 N -2.82 1.40 -0.24 2.61 -1.32 -1.26 -2.23 115.64 111.77 1b4m s THR 8 Ca 0.00 -1.28 -0.03 0.00 -1.21 0.00 0.00 61.69 59.17 1b4m s THR 8 Cb 0.00 -1.28 0.11 0.00 -1.51 0.00 0.00 72.50 69.82 1b4m s THR 8 CO 0.00 -0.04 0.25 0.26 -2.21 0.00 0.00 174.62 172.89 1b4m s TRP 9 N -1.04 -0.35 -0.52 9.09 0.52 0.35 0.79 118.94 127.78 1b4m s TRP 9 Ca 0.03 0.06 -0.29 0.00 0.02 0.00 0.00 56.10 55.93 1b4m s TRP 9 Cb -0.09 -0.40 0.02 0.00 -1.15 0.00 0.00 33.47 31.85 1b4m s TRP 9 CO 0.03 -0.74 1.24 -1.21 0.02 0.00 0.00 176.95 176.28 1b4m s GLU 10 N 2.34 3.57 -0.97 4.98 2.02 -0.95 -0.04 118.70 129.64 1b4m s GLU 10 Ca 0.08 0.49 -0.25 0.00 0.02 0.00 0.00 54.97 55.31 1b4m s GLU 10 Cb -0.15 -3.99 -0.14 0.00 0.10 0.00 0.00 34.13 29.95 1b4m s GLU 10 CO -0.21 -1.60 2.14 1.41 0.02 0.00 0.00 175.26 177.02 1b4m s MET 11 N 4.86 1.83 0.54 1.61 -2.45 -0.79 -3.42 119.30 121.49 1b4m s MET 11 Ca 0.49 -0.25 0.41 0.00 -1.25 0.00 0.00 55.69 55.09 1b4m s MET 11 Cb -0.09 -4.98 1.61 0.00 1.25 0.00 0.00 34.83 32.62 1b4m s MET 11 CO 0.29 -4.46 1.72 1.49 1.05 0.00 0.00 175.02 175.11 1b4m h GLU 12 N 11.53 0.01 -3.51 4.11 4.81 -1.78 -3.41 114.58 126.35 1b4m h GLU 12 Ca 0.06 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 1b4m h GLU 12 Cb 0.99 -0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.16 1b4m h GLU 12 CO 1.09 0.01 -0.49 -1.12 -0.73 0.00 0.00 179.01 177.76 1b4m s SER 13 N -4.71 0.02 -0.22 1.04 0.01 -0.81 -5.06 113.70 103.97 1b4m s SER 13 Ca -0.05 -0.19 -0.00 0.00 1.31 0.00 0.00 55.95 57.02 1b4m s SER 13 Cb 0.25 0.21 0.06 0.00 0.21 0.00 0.00 66.02 66.74 1b4m s SER 13 CO 0.84 -0.36 -0.03 0.21 0.41 0.00 0.00 173.24 174.32 1b4m s ASN 14 N -1.33 3.52 -0.18 2.44 3.84 -1.26 -3.30 114.94 118.67 1b4m s ASN 14 Ca -0.14 -1.05 -0.03 0.00 0.21 0.00 0.00 52.86 51.85 1b4m s ASN 14 Cb -0.07 -0.99 -0.02 0.00 -0.55 0.00 0.00 41.25 39.62 1b4m s ASN 14 CO 0.02 -0.26 -0.05 -0.70 -2.79 0.00 0.00 177.10 173.32 1b4m s GLU 15 N 1.55 3.50 -0.34 0.43 2.12 -1.26 -4.80 118.70 119.90 1b4m s GLU 15 Ca -0.04 -0.59 -0.08 0.00 0.36 0.00 0.00 54.97 54.62 1b4m s GLU 15 Cb -0.18 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.29 1b4m s GLU 15 CO -0.07 0.03 0.24 -1.71 -0.54 0.00 0.00 175.26 173.22 1b4m n ASN 16 N 4.13 -7.81 -0.07 -1.70 5.15 -1.26 -4.19 115.26 109.51 1b4m n ASN 16 Ca -0.18 0.98 -0.06 0.00 -0.60 0.00 0.00 54.58 54.72 1b4m n ASN 16 Cb 0.52 -4.94 -0.12 0.00 -0.53 0.00 0.00 39.78 34.71 1b4m n ASN 16 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1b4m n PHE 17 N 0.35 0.00 -0.04 1.20 -1.74 -1.26 -4.05 117.46 111.92 1b4m n PHE 17 Ca 0.04 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.78 1b4m n PHE 17 Cb 0.23 -0.71 -0.13 0.00 1.52 0.00 0.00 39.48 40.40 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 1b4m h GLU 18 N 0.00 0.08 -0.00 3.97 4.22 -1.93 -2.16 114.58 118.76 1b4m h GLU 18 Ca -0.38 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1b4m h GLU 18 Cb 1.84 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.13 1b4m h GLU 18 CO 0.02 1.00 0.02 0.78 -2.18 0.00 0.00 179.01 178.65 1b4m h GLY 19 N -0.78 0.00 1.33 1.92 0.00 -1.95 1.18 103.07 104.77 1b4m h GLY 19 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.02 1b4m h GLY 19 CO 0.03 0.00 -1.17 -1.82 0.00 0.00 0.00 176.54 173.58 1b4m h TYR 20 N 0.00 0.90 -0.27 5.60 3.20 -1.69 0.16 116.97 124.87 1b4m h TYR 20 Ca 0.00 -0.55 -0.13 0.00 3.14 0.00 0.00 58.73 61.19 1b4m h TYR 20 Cb 0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1b4m h TYR 20 CO 0.00 1.39 -0.37 0.00 -1.64 0.00 0.00 178.16 177.55 1b4m h MET 21 N 0.27 0.61 0.00 1.82 -0.00 0.66 -2.70 114.93 115.59 1b4m h MET 21 Ca -0.16 -0.30 -0.03 0.00 -0.00 0.00 0.00 59.70 59.21 1b4m h MET 21 Cb 1.84 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.43 1b4m h MET 21 CO 0.22 0.89 -0.16 -0.22 -0.00 0.00 0.00 176.91 177.63 1b4m h LYS 22 N 0.51 0.00 0.00 -0.10 3.64 0.13 -0.11 116.57 120.65 1b4m h LYS 22 Ca 0.05 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1b4m h LYS 22 Cb 0.87 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1b4m h LYS 22 CO 0.07 0.16 -0.50 0.00 -2.27 0.00 0.00 179.45 176.92 1b4m h ALA 23 N 1.84 0.94 0.00 5.00 0.00 -0.33 -2.30 119.26 124.40 1b4m h ALA 23 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1b4m h ALA 23 Cb 0.77 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1b4m h ALA 23 CO 0.02 0.63 -0.35 1.47 0.00 0.00 0.00 179.25 181.02 1b4m n LEU 24 N -3.60 2.25 0.00 0.00 -0.00 -1.09 -4.92 117.00 109.64 1b4m n LEU 24 Ca -0.00 -3.25 0.00 0.00 -0.00 0.00 0.00 56.01 52.76 1b4m n LEU 24 Cb 0.58 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1b4m n LEU 24 CO 0.39 0.99 0.00 0.47 -0.00 0.00 0.00 177.39 179.25 1b4m n ASP 25 N -1.04 0.00 -3.27 1.45 9.92 -0.09 -4.57 116.55 118.96 1b4m n ASP 25 Ca 0.16 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.28 1b4m n ASP 25 Cb 0.71 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.15 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b4m n ILE 26 N 0.00 -0.42 -0.63 0.53 3.06 -1.00 -2.69 119.36 118.22 1b4m n ILE 26 Ca 0.00 -0.21 -0.22 0.00 -2.50 0.00 0.00 62.75 59.82 1b4m n ILE 26 Cb 0.00 -0.42 -0.03 0.00 0.54 0.00 0.00 39.64 39.73 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1b4m n ASP 27 N -1.05 3.14 -0.09 9.51 5.68 -1.26 -4.27 116.55 128.20 1b4m n ASP 27 Ca -0.14 -2.32 -0.14 0.00 -0.50 0.00 0.00 54.79 51.69 1b4m n ASP 27 Cb 0.30 -0.93 -0.08 0.00 -1.14 0.00 0.00 41.12 39.27 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1b4m n PHE 28 N 5.27 0.00 0.00 2.11 3.01 -1.26 -5.12 117.46 121.46 1b4m n PHE 28 Ca 0.35 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.81 1b4m n PHE 28 Cb 0.17 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1b4m n ALA 29 N -3.26 0.00 0.00 4.37 0.00 -1.26 -5.08 120.51 115.28 1b4m n ALA 29 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1b4m n ALA 29 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1b4m n ALA 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b4m n THR 30 N -1.08 0.00 -0.25 0.00 -1.04 -1.26 -4.90 114.28 105.75 1b4m n THR 30 Ca 0.00 0.00 0.26 0.00 -2.04 0.00 0.00 64.05 62.27 1b4m n THR 30 Cb 0.00 0.00 0.63 0.00 -1.82 0.00 0.00 70.33 69.14 1b4m n THR 30 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1b4m h ARG 31 N 0.00 0.18 0.10 -2.82 0.11 -1.93 1.24 114.38 111.26 1b4m h ARG 31 Ca 0.00 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 1b4m h ARG 31 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1b4m h ARG 31 CO 0.00 0.12 -0.91 1.57 0.10 0.00 0.00 179.97 180.85 1b4m h LYS 32 N 0.19 0.20 -0.36 0.08 2.10 -2.00 -3.46 116.57 113.32 1b4m h LYS 32 Ca 0.50 -0.35 0.16 0.00 -2.00 0.00 0.00 60.65 58.96 1b4m h LYS 32 Cb 1.62 0.13 -0.19 0.00 -0.90 0.00 0.00 32.23 32.89 1b4m h LYS 32 CO -0.11 1.17 -0.10 0.42 -2.00 0.00 0.00 179.45 178.83 1b4m s ILE 33 N -2.40 -0.36 0.00 0.07 -1.09 0.40 -4.96 121.20 112.85 1b4m s ILE 33 Ca -0.18 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 1b4m s ILE 33 Cb 0.02 -0.26 0.00 0.00 -1.58 0.00 0.00 42.46 40.64 1b4m s ILE 33 CO 0.76 0.00 0.00 0.00 -1.23 0.00 0.00 174.94 174.47 1b4m n ALA 34 N 4.79 0.00 0.28 9.38 0.00 0.53 -4.47 120.51 131.01 1b4m n ALA 34 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1b4m n ALA 34 Cb 0.59 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.83 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m h VAL 35 N 0.00 0.64 0.00 0.00 2.07 -1.93 -3.45 116.25 113.57 1b4m h VAL 35 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1b4m h VAL 35 Cb 0.00 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1b4m h VAL 35 CO 0.00 0.06 0.00 0.54 0.02 0.00 0.00 177.57 178.19 1b4m n ARG 36 N -3.87 0.00 0.00 1.57 5.12 -1.26 -4.90 116.66 113.32 1b4m n ARG 36 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1b4m n ARG 36 Cb 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.45 1b4m n ARG 36 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1b4m n LEU 37 N 0.00 0.00 0.00 0.55 -0.00 -1.26 -4.86 117.00 111.43 1b4m n LEU 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1b4m n LEU 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1b4m n LEU 37 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 177.80 1b4m n THR 38 N 0.00 0.00 -2.62 1.47 -1.04 -1.26 -5.04 114.28 105.79 1b4m n THR 38 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1b4m n THR 38 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1b4m n THR 38 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1b4m n GLN 39 N 0.00 -4.32 -3.64 -2.82 7.27 -1.26 -4.62 117.38 107.99 1b4m n GLN 39 Ca 0.00 3.26 -0.27 0.00 0.07 0.00 0.00 57.00 60.05 1b4m n GLN 39 Cb 0.00 -4.57 -0.10 0.00 2.41 0.00 0.00 30.24 27.98 1b4m n GLN 39 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1b4m n THR 40 N 1.83 1.79 -1.71 1.69 -1.04 -1.26 -1.88 114.28 113.70 1b4m n THR 40 Ca -0.34 -4.95 -0.43 0.00 -2.04 0.00 0.00 64.05 56.29 1b4m n THR 40 Cb 0.53 -2.12 -0.01 0.00 -1.82 0.00 0.00 70.33 66.91 1b4m n THR 40 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1b4m n LYS 41 N 1.47 2.29 -3.69 -2.82 0.00 0.94 -3.53 118.16 112.83 1b4m n LYS 41 Ca 0.25 0.81 -0.27 0.00 0.00 0.00 0.00 58.31 59.09 1b4m n LYS 41 Cb 0.39 -2.47 -0.16 0.00 0.00 0.00 0.00 35.03 32.79 1b4m n LYS 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1b4m s ILE 42 N -0.68 0.31 -0.27 3.15 1.01 0.57 0.13 121.20 125.42 1b4m s ILE 42 Ca 0.59 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 60.51 1b4m s ILE 42 Cb -0.56 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1b4m s ILE 42 CO 0.57 -0.28 0.89 -0.51 0.00 0.00 0.00 174.94 175.61 1b4m s ILE 43 N 1.95 4.75 -0.20 2.92 -1.16 -0.95 0.16 121.20 128.67 1b4m s ILE 43 Ca 0.01 1.55 -0.03 0.00 -0.51 0.00 0.00 60.65 61.67 1b4m s ILE 43 Cb -0.17 -4.20 -0.20 0.00 0.61 0.00 0.00 42.46 38.50 1b4m s ILE 43 CO -0.10 -0.20 0.01 0.52 -2.81 0.00 0.00 174.94 172.36 1b4m n VAL 44 N 5.44 1.61 0.00 4.00 0.31 -1.26 -2.69 118.33 125.75 1b4m n VAL 44 Ca 0.07 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1b4m n VAL 44 Cb 0.47 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1b4m n VAL 44 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1b4m n GLN 45 N -3.43 0.00 -0.32 5.55 7.27 -1.26 -4.82 117.38 120.37 1b4m n GLN 45 Ca -0.40 0.00 0.08 0.00 0.07 0.00 0.00 57.00 56.74 1b4m n GLN 45 Cb 1.00 0.00 0.18 0.00 2.41 0.00 0.00 30.24 33.82 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1b4m n ASP 46 N 1.04 2.26 -0.22 1.69 2.03 -1.05 -4.83 116.55 117.48 1b4m n ASP 46 Ca 0.00 -3.40 0.00 0.00 0.52 0.00 0.00 54.79 51.91 1b4m n ASP 46 Cb 0.00 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 47 N -1.24 -0.07 5.00 0.27 0.00 -1.26 -4.71 105.19 103.18 1b4m n GLY 47 Ca 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1b4m n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 48 N 0.00 0.00 -4.55 1.61 9.92 -1.26 -4.71 116.55 117.56 1b4m n ASP 48 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 1b4m n ASP 48 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1b4m n ASP 48 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1b4m s ASN 49 N 0.00 5.42 -0.31 -2.24 2.20 -1.26 -0.15 114.94 118.60 1b4m s ASN 49 Ca 0.00 0.12 0.03 0.00 -0.94 0.00 0.00 52.86 52.07 1b4m s ASN 49 Cb 0.00 -2.54 0.09 0.00 -2.00 0.00 0.00 41.25 36.80 1b4m s ASN 49 CO 0.00 -2.30 0.02 0.12 -2.94 0.00 0.00 177.10 172.00 1b4m s PHE 50 N 8.53 3.20 -0.48 1.54 5.36 -0.70 -2.54 117.98 132.90 1b4m s PHE 50 Ca 0.62 -2.55 0.03 0.00 -0.96 0.00 0.00 56.93 54.07 1b4m s PHE 50 Cb -0.11 -2.41 0.12 0.00 -0.34 0.00 0.00 43.02 40.28 1b4m s PHE 50 CO 0.18 -0.91 0.22 0.15 -1.46 0.00 0.00 175.22 173.40 1b4m s LYS 51 N 1.10 1.90 0.67 10.12 3.01 -1.26 -3.65 119.74 131.64 1b4m s LYS 51 Ca 0.05 -2.39 -0.15 0.00 -1.01 0.00 0.00 55.97 52.47 1b4m s LYS 51 Cb -0.19 -3.34 0.01 0.00 -1.01 0.00 0.00 37.83 33.30 1b4m s LYS 51 CO -0.10 -1.07 1.12 0.99 0.51 0.00 0.00 175.35 176.80 1b4m s THR 52 N 0.09 3.18 -0.24 2.17 2.01 0.14 -3.98 115.64 119.01 1b4m s THR 52 Ca 0.15 0.54 -0.27 0.00 0.31 0.00 0.00 61.69 62.42 1b4m s THR 52 Cb -0.24 -3.06 0.13 0.00 0.01 0.00 0.00 72.50 69.34 1b4m s THR 52 CO -0.03 -0.35 1.03 -1.59 -0.69 0.00 0.00 174.62 173.00 1b4m s LYS 53 N -4.12 0.52 0.71 4.92 0.00 0.42 -2.18 119.74 120.01 1b4m s LYS 53 Ca 0.67 0.42 -0.03 0.00 0.00 0.00 0.00 55.97 57.04 1b4m s LYS 53 Cb -0.21 0.25 0.11 0.00 0.00 0.00 0.00 37.83 37.98 1b4m s LYS 53 CO 0.42 -0.10 0.98 -0.08 0.00 0.00 0.00 175.35 176.58 1b4m s THR 54 N -0.24 2.25 -0.01 3.79 -1.32 -1.26 0.21 115.64 119.06 1b4m s THR 54 Ca 0.02 -0.50 0.10 0.00 -1.21 0.00 0.00 61.69 60.09 1b4m s THR 54 Cb -0.03 -2.74 0.16 0.00 -1.51 0.00 0.00 72.50 68.38 1b4m s THR 54 CO -0.04 0.00 1.07 -3.20 -2.21 0.00 0.00 174.62 170.24 1b4m n ASN 55 N -2.84 0.46 -0.18 8.08 2.85 -1.23 -4.82 115.26 117.59 1b4m n ASN 55 Ca 0.13 -2.08 -0.05 0.00 -0.11 0.00 0.00 54.58 52.47 1b4m n ASN 55 Cb 0.60 -0.25 -0.04 0.00 1.24 0.00 0.00 39.78 41.33 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1b4m n SER 56 N 0.09 -0.45 0.00 1.20 3.41 -1.26 -4.86 113.62 111.75 1b4m n SER 56 Ca 0.03 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 1b4m n SER 56 Cb 0.85 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1b4m n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1b4m n THR 57 N -3.95 0.00 0.24 6.66 5.66 -1.26 -4.91 114.28 116.72 1b4m n THR 57 Ca 0.01 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1b4m n THR 57 Cb 0.11 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.84 1b4m n THR 57 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1b4m h PHE 58 N 0.00 -0.68 -2.40 1.09 -1.00 -1.89 -3.43 116.94 108.63 1b4m h PHE 58 Ca 0.00 -0.01 -0.32 0.00 2.81 0.00 0.00 57.97 60.45 1b4m h PHE 58 Cb 0.00 0.24 -0.35 0.00 3.61 0.00 0.00 35.95 39.45 1b4m h PHE 58 CO 0.00 -0.39 -0.63 0.50 -1.61 0.00 0.00 178.31 176.18 1b4m s ARG 59 N -4.53 0.24 -1.07 1.51 6.06 -1.26 -5.03 118.95 114.87 1b4m s ARG 59 Ca -0.10 0.09 -0.03 0.00 -2.50 0.00 0.00 55.73 53.19 1b4m s ARG 59 Cb 0.01 -1.01 0.30 0.00 0.06 0.00 0.00 34.95 34.32 1b4m s ARG 59 CO 0.31 -0.78 1.69 0.09 -2.50 0.00 0.00 175.30 174.12 1b4m n ASN 60 N 5.32 6.90 -3.49 -2.12 3.02 -1.26 -4.75 115.26 118.88 1b4m n ASN 60 Ca -0.04 -3.53 -0.27 0.00 -0.03 0.00 0.00 54.58 50.71 1b4m n ASN 60 Cb 0.48 -1.23 -0.10 0.00 -0.61 0.00 0.00 39.78 38.32 1b4m n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b4m n TYR 61 N 0.73 0.48 -0.03 3.10 4.19 -1.26 -4.87 117.16 119.50 1b4m n TYR 61 Ca 0.38 -3.65 -0.03 0.00 3.31 0.00 0.00 57.90 57.90 1b4m n TYR 61 Cb 0.29 -0.10 -0.01 0.00 0.49 0.00 0.00 39.34 40.02 1b4m n TYR 61 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1b4m n ASP 62 N 2.28 0.80 -3.37 2.98 9.92 -1.26 -5.02 116.55 122.87 1b4m n ASP 62 Ca 0.26 0.13 -0.13 0.00 -0.53 0.00 0.00 54.79 54.53 1b4m n ASP 62 Cb 0.45 -0.56 -0.09 0.00 -0.64 0.00 0.00 41.12 40.28 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1b4m s LEU 63 N -6.21 -0.48 -0.57 0.64 0.20 -0.93 -4.99 118.68 106.35 1b4m s LEU 63 Ca -0.11 -0.33 0.06 0.00 0.69 0.00 0.00 54.13 54.44 1b4m s LEU 63 Cb 0.02 0.82 0.24 0.00 -0.43 0.00 0.00 46.19 46.84 1b4m s LEU 63 CO 0.17 -0.35 0.66 -0.90 -0.29 0.00 0.00 176.35 175.64 1b4m n ASP 64 N 5.34 2.60 -4.20 3.68 5.75 -1.26 -0.69 116.55 127.77 1b4m n ASP 64 Ca -0.02 -3.19 -0.12 0.00 -0.01 0.00 0.00 54.79 51.45 1b4m n ASP 64 Cb 0.49 -0.66 -0.10 0.00 -1.03 0.00 0.00 41.12 39.81 1b4m n ASP 64 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1b4m s PHE 65 N -2.00 1.02 -0.44 2.11 0.08 -1.24 -5.01 117.98 112.51 1b4m s PHE 65 Ca 0.38 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 56.44 1b4m s PHE 65 Cb 0.14 -0.57 0.10 0.00 -0.57 0.00 0.00 43.02 42.12 1b4m s PHE 65 CO -0.05 -0.12 0.28 0.99 -0.10 0.00 0.00 175.22 176.22 1b4m s THR 66 N -3.58 4.07 -0.02 0.64 2.01 -1.26 -1.72 115.64 115.78 1b4m s THR 66 Ca 0.15 -1.64 -0.27 0.00 0.31 0.00 0.00 61.69 60.24 1b4m s THR 66 Cb 0.05 -3.60 -0.14 0.00 0.01 0.00 0.00 72.50 68.83 1b4m s THR 66 CO -0.02 -0.63 0.74 0.52 -0.69 0.00 0.00 174.62 174.55 1b4m n VAL 67 N 4.87 0.00 0.00 3.82 0.31 0.79 -0.90 118.33 127.21 1b4m n VAL 67 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1b4m n VAL 67 Cb 0.42 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1b4m n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b4m n GLY 68 N 1.12 2.96 3.42 2.92 0.00 0.23 -4.89 105.19 110.94 1b4m n GLY 68 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1b4m n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b4m n VAL 69 N -2.00 4.22 -1.23 1.61 0.31 -0.08 -4.91 118.33 116.24 1b4m n VAL 69 Ca 0.00 -4.61 -0.46 0.00 -0.01 0.00 0.00 64.34 59.26 1b4m n VAL 69 Cb 0.00 -2.44 -0.12 0.00 -0.91 0.00 0.00 33.84 30.37 1b4m n VAL 69 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1b4m n GLU 70 N 5.82 0.00 -1.80 5.55 2.13 -1.26 -4.71 120.64 126.36 1b4m n GLU 70 Ca 0.39 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.97 1b4m n GLU 70 Cb 0.42 -1.35 -0.05 0.00 0.27 0.00 0.00 31.44 30.73 1b4m n GLU 70 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1b4m s PHE 71 N 6.64 1.44 -0.08 4.31 0.40 0.15 -4.83 117.98 126.01 1b4m s PHE 71 Ca 1.15 1.30 -0.28 0.00 -0.60 0.00 0.00 56.93 58.49 1b4m s PHE 71 Cb -1.25 -3.76 -0.34 0.00 0.51 0.00 0.00 43.02 38.18 1b4m s PHE 71 CO 0.53 -1.84 1.53 -3.47 0.70 0.00 0.00 175.22 172.66 1b4m n ASP 72 N 15.90 0.84 -0.42 1.36 2.03 -1.26 -1.88 116.55 133.12 1b4m n ASP 72 Ca 0.40 -2.33 0.00 0.00 0.52 0.00 0.00 54.79 53.38 1b4m n ASP 72 Cb 0.47 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 1b4m n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1b4m n GLU 73 N 7.62 0.00 -1.95 -0.67 1.02 0.28 -4.89 120.64 122.04 1b4m n GLU 73 Ca 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.55 1b4m n GLU 73 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1b4m n GLU 73 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1b4m n HIS 74 N -0.84 -1.37 0.00 -0.32 8.25 -1.26 -4.81 115.22 114.86 1b4m n HIS 74 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1b4m n HIS 74 Cb 0.00 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 28.69 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b4m n THR 75 N 0.00 0.00 -1.13 1.59 -2.24 -1.26 -5.04 114.28 106.20 1b4m n THR 75 Ca 0.02 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 1b4m n THR 75 Cb 0.06 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 1b4m n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b4m n LYS 76 N -2.28 -0.88 0.00 -0.78 5.02 -1.26 -4.76 118.16 113.22 1b4m n LYS 76 Ca 0.00 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1b4m n LYS 76 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b4m n GLY 77 N -1.05 2.12 2.64 0.72 0.00 -1.26 -4.82 105.19 103.53 1b4m n GLY 77 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1b4m n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4m n LEU 78 N 0.00 -0.92 0.00 0.99 7.94 -1.26 -4.99 117.00 118.76 1b4m n LEU 78 Ca 0.00 -3.74 0.00 0.00 -1.11 0.00 0.00 56.01 51.16 1b4m n LEU 78 Cb 0.00 0.39 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1b4m n LEU 78 CO 0.00 1.90 0.00 -0.67 -1.11 0.00 0.00 177.39 177.51 1b4m n ASP 79 N -0.17 0.00 -1.96 1.96 2.03 -1.26 -5.00 116.55 112.15 1b4m n ASP 79 Ca 0.05 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.34 1b4m n ASP 79 Cb 0.79 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 80 N 0.00 -1.54 0.00 0.27 0.00 -1.26 -4.92 105.19 97.74 1b4m n GLY 80 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1b4m n GLY 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1b4m n ARG 81 N -0.25 0.00 0.00 1.61 0.63 -1.26 -4.89 116.66 112.49 1b4m n ARG 81 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1b4m n ARG 81 Cb 0.12 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.03 1b4m n ARG 81 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1b4m n ASN 82 N 0.00 0.00 -4.22 6.15 6.94 -1.26 -4.50 115.26 118.37 1b4m n ASN 82 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.36 1b4m n ASN 82 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1b4m s VAL 83 N 0.00 1.33 -0.84 3.53 1.01 -1.26 -4.56 120.40 119.61 1b4m s VAL 83 Ca 0.00 -1.50 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 1b4m s VAL 83 Cb 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1b4m s VAL 83 CO 0.00 -0.25 1.45 -0.75 0.00 0.00 0.00 175.10 175.55 1b4m s LYS 84 N -2.10 3.23 -1.07 2.72 2.47 -1.01 -0.56 119.74 123.43 1b4m s LYS 84 Ca 0.04 -0.48 -0.10 0.00 -1.56 0.00 0.00 55.97 53.87 1b4m s LYS 84 Cb -0.08 -4.69 0.27 0.00 -1.46 0.00 0.00 37.83 31.86 1b4m s LYS 84 CO 0.03 -2.32 1.06 0.99 0.16 0.00 0.00 175.35 175.27 1b4m s THR 85 N 6.12 5.94 0.24 3.43 2.01 -0.79 0.11 115.64 132.69 1b4m s THR 85 Ca 0.45 -3.27 -0.26 0.00 0.31 0.00 0.00 61.69 58.92 1b4m s THR 85 Cb -0.05 -4.59 -0.09 0.00 0.01 0.00 0.00 72.50 67.78 1b4m s THR 85 CO 0.05 -1.17 0.86 -0.22 -0.69 0.00 0.00 174.62 173.45 1b4m s LEU 86 N -1.00 4.50 -0.05 4.42 2.96 0.85 0.32 118.68 130.68 1b4m s LEU 86 Ca 0.29 1.74 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 1b4m s LEU 86 Cb -0.10 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.98 1b4m s LEU 86 CO -0.08 0.09 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.26 1b4m s VAL 87 N -1.35 0.90 0.27 1.68 1.01 -1.26 -1.06 120.40 120.59 1b4m s VAL 87 Ca 0.42 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1b4m s VAL 87 Cb -0.22 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1b4m s VAL 87 CO 0.26 0.30 0.62 -0.89 0.00 0.00 0.00 175.10 175.39 1b4m s THR 88 N 0.61 0.00 -0.05 3.92 2.01 0.08 -0.61 115.64 121.60 1b4m s THR 88 Ca -0.11 -1.18 -0.04 0.00 0.31 0.00 0.00 61.69 60.67 1b4m s THR 88 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1b4m s THR 88 CO 0.02 0.00 0.16 0.26 -0.69 0.00 0.00 174.62 174.37 1b4m s TRP 89 N -3.84 3.55 -0.76 4.92 0.52 -1.26 -0.95 118.94 121.11 1b4m s TRP 89 Ca 0.16 0.42 0.22 0.00 0.02 0.00 0.00 56.10 56.91 1b4m s TRP 89 Cb -0.04 -1.87 -0.20 0.00 -1.15 0.00 0.00 33.47 30.22 1b4m s TRP 89 CO 0.08 0.68 0.84 -1.91 0.02 0.00 0.00 176.95 176.66 1b4m n GLU 90 N 1.39 0.16 0.00 4.98 0.00 0.53 -4.82 120.64 122.89 1b4m n GLU 90 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 57.16 56.97 1b4m n GLU 90 Cb 0.54 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.46 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b4m n GLY 91 N 1.44 0.90 0.81 8.31 0.00 -1.26 -4.77 105.19 110.61 1b4m n GLY 91 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1b4m n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b4m n ASN 92 N 0.00 -0.00 -3.60 1.61 0.23 -1.26 -4.63 115.26 107.60 1b4m n ASN 92 Ca 0.00 -1.70 -0.03 0.00 -0.53 0.00 0.00 54.58 52.32 1b4m n ASN 92 Cb 0.00 -0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 37.63 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1b4m s THR 93 N 0.00 0.00 -0.66 5.53 -1.32 -1.26 -4.73 115.64 113.20 1b4m s THR 93 Ca 0.07 -0.10 -0.19 0.00 -1.21 0.00 0.00 61.69 60.25 1b4m s THR 93 Cb 0.08 -1.35 0.11 0.00 -1.51 0.00 0.00 72.50 69.83 1b4m s THR 93 CO -0.03 0.00 0.81 -0.22 -2.21 0.00 0.00 174.62 172.97 1b4m s LEU 94 N -2.49 5.21 -0.38 9.08 2.96 -1.26 0.20 118.68 132.00 1b4m s LEU 94 Ca 0.10 -1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 52.40 1b4m s LEU 94 Cb 0.01 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1b4m s LEU 94 CO -0.04 -1.15 0.28 -0.69 -1.32 0.00 0.00 176.35 173.42 1b4m s VAL 95 N 2.86 5.27 0.02 1.68 1.01 -0.13 -0.16 120.40 130.95 1b4m s VAL 95 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1b4m s VAL 95 Cb -0.20 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1b4m s VAL 95 CO 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 175.10 174.92 1b4m s VAL 97 N -1.46 0.27 -0.35 0.00 1.01 -0.22 -3.65 120.40 115.99 1b4m s VAL 97 Ca -0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1b4m s VAL 97 Cb -0.10 -0.24 0.06 0.00 0.00 0.00 0.00 36.38 36.10 1b4m s VAL 97 CO -0.01 0.08 0.11 -1.10 0.00 0.00 0.00 175.10 174.19 1b4m s GLN 98 N -0.02 2.47 -0.30 2.72 -0.21 -1.23 -0.10 119.66 122.99 1b4m s GLN 98 Ca 0.01 -1.34 -0.03 0.00 0.02 0.00 0.00 55.36 54.01 1b4m s GLN 98 Cb -0.02 -3.45 0.11 0.00 1.00 0.00 0.00 33.01 30.65 1b4m s GLN 98 CO -0.00 -0.76 0.15 0.21 -2.12 0.00 0.00 175.29 172.77 1b4m s LYS 99 N 1.33 0.24 -0.40 2.91 2.47 0.12 -3.38 119.74 123.02 1b4m s LYS 99 Ca -0.00 -0.58 0.06 0.00 -1.56 0.00 0.00 55.97 53.88 1b4m s LYS 99 Cb -0.21 -1.13 0.31 0.00 -1.46 0.00 0.00 37.83 35.35 1b4m s LYS 99 CO 0.01 -1.04 1.23 0.41 0.16 0.00 0.00 175.35 176.11 1b4m n GLY 100 N 5.13 0.07 1.48 5.54 0.00 -1.26 -2.41 105.19 113.74 1b4m n GLY 100 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1b4m n GLY 100 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b4m n GLU 101 N 0.14 -4.06 0.00 1.61 2.13 -1.26 -4.46 120.64 114.74 1b4m n GLU 101 Ca -0.02 3.09 0.00 0.00 0.66 0.00 0.00 57.16 60.90 1b4m n GLU 101 Cb 0.74 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.76 1b4m n GLU 101 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1b4m n LYS 102 N -1.81 0.00 -3.32 5.31 0.00 -1.26 -4.90 118.16 112.18 1b4m n LYS 102 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 1b4m n LYS 102 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.29 1b4m n LYS 102 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1b4m n GLU 103 N 0.00 0.79 -3.74 1.64 0.28 -1.26 -4.94 120.64 113.41 1b4m n GLU 103 Ca 0.00 -1.95 -0.29 0.00 -0.16 0.00 0.00 57.16 54.76 1b4m n GLU 103 Cb 0.00 2.21 -0.13 0.00 1.43 0.00 0.00 31.44 34.95 1b4m n GLU 103 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1b4m s ASN 104 N -2.69 3.71 0.00 -1.84 -0.87 -1.26 -4.31 114.94 107.68 1b4m s ASN 104 Ca 0.16 -2.79 0.13 0.00 -1.57 0.00 0.00 52.86 48.79 1b4m s ASN 104 Cb -0.03 -1.13 0.55 0.00 -0.02 0.00 0.00 41.25 40.63 1b4m s ASN 104 CO 0.12 -0.24 1.39 0.54 -2.57 0.00 0.00 177.10 176.34 1b4m n ARG 105 N 3.33 0.03 -1.00 -0.60 5.12 -1.22 -1.68 116.66 120.65 1b4m n ARG 105 Ca 0.10 0.26 -0.43 0.00 -1.93 0.00 0.00 57.85 55.86 1b4m n ARG 105 Cb 0.35 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.08 1b4m n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b4m n GLY 106 N -0.21 0.01 3.26 -0.13 0.00 -1.18 -4.25 105.19 102.69 1b4m n GLY 106 Ca 0.04 0.72 -0.28 0.00 0.00 0.00 0.00 46.02 46.50 1b4m n GLY 106 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1b4m s TRP 107 N 3.05 1.97 0.19 1.61 -2.14 -1.24 -0.03 118.94 122.35 1b4m s TRP 107 Ca 0.76 -0.38 -0.24 0.00 2.66 0.00 0.00 56.10 58.90 1b4m s TRP 107 Cb -1.01 -1.22 0.06 0.00 -3.10 0.00 0.00 33.47 28.19 1b4m s TRP 107 CO 0.50 0.03 0.92 -1.59 -2.66 0.00 0.00 176.95 174.15 1b4m s LYS 108 N -0.86 1.35 0.34 3.25 -2.85 -1.12 -3.29 119.74 116.57 1b4m s LYS 108 Ca 0.09 -0.76 0.04 0.00 -1.00 0.00 0.00 55.97 54.34 1b4m s LYS 108 Cb -0.09 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1b4m s LYS 108 CO 0.01 -0.62 0.15 1.04 0.10 0.00 0.00 175.35 176.03 1b4m n GLN 109 N -0.49 0.56 -0.29 1.78 3.00 0.77 -2.79 117.38 119.93 1b4m n GLN 109 Ca -0.06 -2.99 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 1b4m n GLN 109 Cb 0.60 1.81 0.00 0.00 0.00 0.00 0.00 30.24 32.65 1b4m n GLN 109 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 1b4m n TRP 110 N -0.75 0.00 -3.77 1.08 2.14 -1.26 -4.06 117.44 110.82 1b4m n TRP 110 Ca -0.02 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.28 1b4m n TRP 110 Cb 0.53 0.20 0.00 0.00 -0.81 0.00 0.00 31.31 31.24 1b4m n TRP 110 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1b4m n VAL 111 N 0.00 -3.26 -3.22 -1.67 0.31 -1.26 -4.90 118.33 104.32 1b4m n VAL 111 Ca 0.00 -0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 1b4m n VAL 111 Cb 0.50 -2.91 -0.01 0.00 -0.91 0.00 0.00 33.84 30.51 1b4m n VAL 111 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1b4m s GLU 112 N -4.68 3.91 -0.25 5.55 0.41 -1.12 -4.81 118.70 117.70 1b4m s GLU 112 Ca 0.04 -2.68 -0.05 0.00 -0.41 0.00 0.00 54.97 51.87 1b4m s GLU 112 Cb -0.00 -4.64 0.01 0.00 -1.78 0.00 0.00 34.13 27.71 1b4m s GLU 112 CO 0.89 -1.41 0.14 0.41 -0.49 0.00 0.00 175.26 174.80 1b4m n GLY 113 N 3.71 -2.30 4.23 -1.39 0.00 -1.26 -4.23 105.19 103.95 1b4m n GLY 113 Ca 0.22 0.50 -0.33 0.00 0.00 0.00 0.00 46.02 46.42 1b4m n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 114 N 0.66 -0.11 0.00 1.61 8.00 -1.26 -4.93 116.55 120.52 1b4m n ASP 114 Ca 0.01 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1b4m n ASP 114 Cb 0.26 -1.79 0.00 0.00 -0.02 0.00 0.00 41.12 39.57 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1b4m n LYS 115 N -4.64 0.00 -3.55 -1.24 2.85 -1.26 -2.86 118.16 107.45 1b4m n LYS 115 Ca -0.29 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.56 1b4m n LYS 115 Cb 0.67 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.96 1b4m n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1b4m s LEU 116 N 0.00 5.29 -0.81 -5.58 1.02 -1.26 -2.81 118.68 114.53 1b4m s LEU 116 Ca 0.00 -1.50 -0.25 0.00 0.02 0.00 0.00 54.13 52.40 1b4m s LEU 116 Cb 0.00 -2.03 -0.04 0.00 0.02 0.00 0.00 46.19 44.14 1b4m s LEU 116 CO 0.00 -0.57 1.90 -0.31 0.02 0.00 0.00 176.35 177.38 1b4m s TYR 117 N 1.47 1.79 -1.42 0.29 2.02 -1.26 -4.36 117.35 115.87 1b4m s TYR 117 Ca 0.03 0.63 -0.12 0.00 -0.37 0.00 0.00 57.07 57.24 1b4m s TYR 117 Cb -0.24 -4.09 0.07 0.00 -0.40 0.00 0.00 41.96 37.31 1b4m s TYR 117 CO 0.03 -1.93 2.17 1.28 -1.57 0.00 0.00 175.55 175.53 1b4m n LEU 118 N 13.39 6.92 -4.61 -1.29 4.77 -1.26 -4.15 117.00 130.77 1b4m n LEU 118 Ca 0.33 -4.30 -0.43 0.00 -0.03 0.00 0.00 56.01 51.58 1b4m n LEU 118 Cb 0.49 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 39.95 1b4m n LEU 118 CO 0.64 1.24 1.27 -1.61 -1.33 0.00 0.00 177.39 177.60 1b4m s GLU 119 N 2.31 3.60 0.28 3.23 2.02 -1.12 -4.31 118.70 124.72 1b4m s GLU 119 Ca 0.46 1.08 0.12 0.00 0.02 0.00 0.00 54.97 56.65 1b4m s GLU 119 Cb 0.13 -4.03 -0.05 0.00 0.10 0.00 0.00 34.13 30.28 1b4m s GLU 119 CO -0.06 -1.53 -0.19 -0.48 0.02 0.00 0.00 175.26 173.02 1b4m s LEU 120 N 5.46 2.59 0.15 1.80 2.34 -1.15 -2.78 118.68 127.09 1b4m s LEU 120 Ca 0.64 -1.03 0.04 0.00 0.06 0.00 0.00 54.13 53.83 1b4m s LEU 120 Cb -0.16 -1.07 -0.04 0.00 -0.56 0.00 0.00 46.19 44.36 1b4m s LEU 120 CO 0.31 0.02 -0.09 -0.89 -1.06 0.00 0.00 176.35 174.64 1b4m s THR 121 N -2.54 1.08 -0.45 5.48 2.01 0.95 -0.67 115.64 121.50 1b4m s THR 121 Ca 0.30 -2.04 0.04 0.00 0.31 0.00 0.00 61.69 60.29 1b4m s THR 121 Cb -0.05 -1.86 0.24 0.00 0.01 0.00 0.00 72.50 70.85 1b4m s THR 121 CO 0.14 -0.74 0.96 0.00 -0.69 0.00 0.00 174.62 174.30 1b4m n GLY 123 N 1.69 2.85 0.00 0.00 0.00 -0.67 -4.20 105.19 104.85 1b4m n GLY 123 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1b4m n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 124 N 1.77 0.00 -0.02 1.61 2.03 -1.26 -4.66 116.55 116.02 1b4m n ASP 124 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1b4m n ASP 124 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1b4m n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m n GLN 125 N 0.00 2.96 -0.47 -0.67 1.13 -1.26 -5.04 117.38 114.04 1b4m n GLN 125 Ca 0.00 -1.54 0.00 0.00 -1.94 0.00 0.00 57.00 53.52 1b4m n GLN 125 Cb 0.00 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.33 1b4m n GLN 125 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1b4m n VAL 126 N -0.50 0.00 -1.95 5.09 3.14 -1.26 -4.80 118.33 118.04 1b4m n VAL 126 Ca 0.01 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.97 1b4m n VAL 126 Cb 0.26 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.02 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b4m s ARG 128 N 0.09 2.59 0.48 0.00 3.52 -1.26 -2.94 118.95 121.42 1b4m s ARG 128 Ca 0.63 -2.30 -0.10 0.00 -0.13 0.00 0.00 55.73 53.83 1b4m s ARG 128 Cb -0.43 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.08 1b4m s ARG 128 CO 0.40 -1.17 0.85 -0.65 -0.81 0.00 0.00 175.30 173.92 1b4m s GLN 129 N 0.36 3.71 -0.04 5.12 -1.52 -1.26 -4.28 119.66 121.75 1b4m s GLN 129 Ca 0.14 0.51 -0.02 0.00 -1.95 0.00 0.00 55.36 54.05 1b4m s GLN 129 Cb -0.20 -2.30 0.03 0.00 -0.22 0.00 0.00 33.01 30.32 1b4m s GLN 129 CO -0.04 -0.21 0.06 0.08 -0.25 0.00 0.00 175.29 174.94 1b4m s VAL 130 N -2.65 -0.10 0.46 1.09 1.01 -1.21 -4.40 120.40 114.60 1b4m s VAL 130 Ca 0.52 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1b4m s VAL 130 Cb -0.10 -0.14 0.07 0.00 0.00 0.00 0.00 36.38 36.21 1b4m s VAL 130 CO 0.39 0.14 0.62 0.49 0.00 0.00 0.00 175.10 176.74 1b4m n PHE 131 N 4.91 -2.31 -3.65 5.22 3.01 -1.26 -1.93 117.46 121.45 1b4m n PHE 131 Ca -0.12 -1.71 -0.05 0.00 1.01 0.00 0.00 57.45 56.58 1b4m n PHE 131 Cb 0.50 -0.44 -0.07 0.00 -0.01 0.00 0.00 39.48 39.47 1b4m n PHE 131 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1b4m s LYS 132 N -4.08 0.56 -0.33 -1.08 2.47 -1.22 -4.71 119.74 111.35 1b4m s LYS 132 Ca 0.47 1.25 -0.29 0.00 -1.56 0.00 0.00 55.97 55.84 1b4m s LYS 132 Cb -0.04 0.46 0.00 0.00 -1.46 0.00 0.00 37.83 36.80 1b4m s LYS 132 CO 0.30 -0.19 1.33 0.21 0.16 0.00 0.00 175.35 177.16 1b4m s LYS 133 N 2.29 3.83 0.00 4.03 2.20 -1.14 -2.25 119.74 128.71 1b4m s LYS 133 Ca -0.07 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1b4m s LYS 133 Cb -0.09 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1b4m s LYS 133 CO -0.18 -1.23 0.00 1.17 -0.36 0.00 0.00 175.35 174.75