#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m s THR 2 N 0.00 0.06 -0.56 3.17 -4.23 -1.26 -4.94 115.64 107.88 1b4m s THR 2 Ca 0.00 -0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 59.95 1b4m s THR 2 Cb 0.00 -1.08 0.07 0.00 1.34 0.00 0.00 72.50 72.83 1b4m s THR 2 CO 0.00 -0.27 0.18 2.29 -0.54 0.00 0.00 174.62 176.28 1b4m n LYS 3 N 0.05 -1.11 -3.02 3.99 2.85 -1.26 -4.72 118.16 114.93 1b4m n LYS 3 Ca -0.17 0.04 -0.17 0.00 -1.05 0.00 0.00 58.31 56.96 1b4m n LYS 3 Cb 0.62 -1.83 -0.03 0.00 -0.65 0.00 0.00 35.03 33.15 1b4m n LYS 3 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1b4m n ASP 4 N -0.51 -1.28 -4.22 -5.58 2.03 -1.26 -4.79 116.55 100.93 1b4m n ASP 4 Ca 0.04 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.33 1b4m n ASP 4 Cb 0.18 0.43 -0.10 0.00 -0.72 0.00 0.00 41.12 40.92 1b4m n ASP 4 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1b4m s GLN 5 N -0.21 0.99 0.17 -0.67 0.74 -1.26 -5.09 119.66 114.32 1b4m s GLN 5 Ca 0.33 -1.42 -0.09 0.00 0.05 0.00 0.00 55.36 54.24 1b4m s GLN 5 Cb 0.16 -0.46 -0.01 0.00 1.10 0.00 0.00 33.01 33.80 1b4m s GLN 5 CO -0.16 0.03 0.28 -0.80 -0.55 0.00 0.00 175.29 174.09 1b4m s ASN 6 N -3.13 0.05 0.00 6.67 -0.87 -1.26 -4.29 114.94 112.11 1b4m s ASN 6 Ca 0.15 -0.90 0.00 0.00 -1.57 0.00 0.00 52.86 50.54 1b4m s ASN 6 Cb 0.04 0.44 0.00 0.00 -0.02 0.00 0.00 41.25 41.70 1b4m s ASN 6 CO -0.01 -0.90 0.00 0.61 -2.57 0.00 0.00 177.10 174.23 1b4m n GLY 7 N -0.22 -0.77 2.49 0.66 0.00 -1.26 -5.01 105.19 101.08 1b4m n GLY 7 Ca -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1b4m n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b4m n THR 8 N 1.59 0.00 -1.18 2.61 5.66 0.07 -4.21 114.28 118.82 1b4m n THR 8 Ca 0.00 -0.90 -0.40 0.00 -3.05 0.00 0.00 64.05 59.71 1b4m n THR 8 Cb 0.00 0.91 -0.12 0.00 -1.55 0.00 0.00 70.33 69.57 1b4m n THR 8 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1b4m n TRP 9 N -1.17 0.64 -0.08 1.09 7.02 0.13 -4.46 117.44 120.62 1b4m n TRP 9 Ca -0.14 0.43 -0.07 0.00 -1.02 0.00 0.00 57.50 56.71 1b4m n TRP 9 Cb 0.81 -1.96 -0.00 0.00 -2.42 0.00 0.00 31.31 27.74 1b4m n TRP 9 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1b4m h GLU 10 N 9.15 -0.10 -0.99 -0.99 5.08 -1.25 0.98 114.58 126.47 1b4m h GLU 10 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1b4m h GLU 10 Cb 1.12 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1b4m h GLU 10 CO 1.07 -0.06 0.00 -0.12 -1.00 0.00 0.00 179.01 178.90 1b4m n MET 11 N -5.32 0.00 -0.29 2.33 0.00 -1.26 -3.06 117.12 109.52 1b4m n MET 11 Ca 0.00 0.16 0.08 0.00 -0.00 0.00 0.00 57.70 57.95 1b4m n MET 11 Cb 0.23 -0.38 0.20 0.00 0.00 0.00 0.00 33.22 33.27 1b4m n MET 11 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1b4m h GLU 12 N 0.00 0.06 0.00 2.12 4.81 -1.82 -3.45 114.58 116.31 1b4m h GLU 12 Ca 0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1b4m h GLU 12 Cb 0.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1b4m h GLU 12 CO 0.00 0.04 0.21 -1.13 -0.73 0.00 0.00 179.01 177.40 1b4m n SER 13 N -5.42 -2.15 -3.60 1.04 3.41 -1.26 -5.06 113.62 100.59 1b4m n SER 13 Ca 0.17 -2.62 -0.15 0.00 -0.26 0.00 0.00 58.87 56.00 1b4m n SER 13 Cb 0.56 3.61 -0.06 0.00 -0.26 0.00 0.00 64.21 68.06 1b4m n SER 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1b4m s ASN 14 N -3.07 -0.47 0.13 4.04 2.20 -1.26 -2.90 114.94 113.61 1b4m s ASN 14 Ca 0.18 0.37 0.00 0.00 -0.94 0.00 0.00 52.86 52.46 1b4m s ASN 14 Cb -0.04 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.68 1b4m s ASN 14 CO 0.13 -0.61 0.00 -0.62 -2.94 0.00 0.00 177.10 173.06 1b4m n GLU 15 N 0.80 1.69 -0.60 3.55 -0.58 -1.18 -4.84 120.64 119.49 1b4m n GLU 15 Ca -0.19 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.51 1b4m n GLU 15 Cb 0.58 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.41 1b4m n GLU 15 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1b4m n ASN 16 N -1.22 -0.92 0.13 1.62 0.23 -1.26 -4.65 115.26 109.18 1b4m n ASN 16 Ca 0.00 -0.56 -0.01 0.00 -0.53 0.00 0.00 54.58 53.48 1b4m n ASN 16 Cb 0.00 -0.29 0.24 0.00 -2.08 0.00 0.00 39.78 37.65 1b4m n ASN 16 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1b4m h PHE 17 N 4.97 0.13 -0.01 -2.53 3.04 -1.92 -2.88 116.94 117.73 1b4m h PHE 17 Ca 0.01 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1b4m h PHE 17 Cb 0.53 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1b4m h PHE 17 CO 0.79 0.56 -0.07 1.49 -2.02 0.00 0.00 178.31 179.06 1b4m h GLU 18 N 0.09 0.07 -0.16 1.11 4.22 -1.83 -3.18 114.58 114.90 1b4m h GLU 18 Ca 0.00 -0.06 0.05 0.00 0.08 0.00 0.00 59.36 59.43 1b4m h GLU 18 Cb 0.87 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1b4m h GLU 18 CO 0.07 0.73 0.36 0.78 -2.18 0.00 0.00 179.01 178.77 1b4m h GLY 19 N -0.58 0.00 1.40 1.92 0.00 -1.89 1.40 103.07 105.32 1b4m h GLY 19 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1b4m h GLY 19 CO 0.01 0.00 -1.37 -1.82 0.00 0.00 0.00 176.54 173.37 1b4m h TYR 20 N 0.00 0.80 0.00 5.60 3.20 -1.51 -0.44 116.97 124.63 1b4m h TYR 20 Ca 0.07 -0.58 -0.01 0.00 3.14 0.00 0.00 58.73 61.36 1b4m h TYR 20 Cb 0.79 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1b4m h TYR 20 CO 0.00 1.45 -0.05 0.52 -1.64 0.00 0.00 178.16 178.43 1b4m h MET 21 N 0.13 0.00 -0.15 1.82 2.86 0.44 -2.61 114.93 117.42 1b4m h MET 21 Ca -0.20 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.21 1b4m h MET 21 Cb 2.07 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.74 1b4m h MET 21 CO 0.25 0.05 -0.79 -0.22 1.06 0.00 0.00 176.91 177.26 1b4m h LYS 22 N 0.00 0.80 -0.52 1.72 3.64 0.15 0.44 116.57 122.81 1b4m h LYS 22 Ca -0.00 -0.66 -0.12 0.00 -1.27 0.00 0.00 60.65 58.60 1b4m h LYS 22 Cb 0.90 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1b4m h LYS 22 CO 0.01 1.26 -0.14 0.00 -2.27 0.00 0.00 179.45 178.31 1b4m h ALA 23 N 0.55 0.72 0.00 5.00 0.00 -0.94 -1.31 119.26 123.28 1b4m h ALA 23 Ca -0.05 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1b4m h ALA 23 Cb 1.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1b4m h ALA 23 CO 0.16 0.66 -0.51 -0.07 0.00 0.00 0.00 179.25 179.49 1b4m h LEU 24 N 0.89 0.00 -1.24 0.00 3.38 -1.45 -3.46 115.31 113.44 1b4m h LEU 24 Ca 0.13 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.68 1b4m h LEU 24 Cb 0.71 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.54 1b4m h LEU 24 CO 0.05 0.51 -0.75 -0.67 0.09 0.00 0.00 178.44 177.67 1b4m n ASP 25 N -3.89 -3.99 0.00 -0.43 2.03 0.20 -4.81 116.55 105.66 1b4m n ASP 25 Ca -0.01 -0.69 0.08 0.00 0.52 0.00 0.00 54.79 54.68 1b4m n ASP 25 Cb 0.53 -4.48 0.34 0.00 -0.72 0.00 0.00 41.12 36.79 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m n ILE 26 N -4.60 0.90 -2.55 5.18 0.13 0.13 -4.94 119.36 113.61 1b4m n ILE 26 Ca -0.10 0.23 0.00 0.00 -1.10 0.00 0.00 62.75 61.78 1b4m n ILE 26 Cb 0.59 -0.95 0.00 0.00 -0.84 0.00 0.00 39.64 38.44 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1b4m n ASP 27 N -1.50 -1.14 0.00 9.51 2.03 -1.25 -4.86 116.55 119.34 1b4m n ASP 27 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1b4m n ASP 27 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1b4m n PHE 28 N 0.00 0.00 -3.31 -0.67 3.72 -1.26 -4.02 117.46 111.91 1b4m n PHE 28 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1b4m n PHE 28 Cb 0.00 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.60 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b4m n ALA 29 N 0.00 -2.50 -2.40 4.37 0.00 -1.26 -4.93 120.51 113.79 1b4m n ALA 29 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 1b4m n ALA 29 Cb 0.00 -5.28 0.03 0.00 0.00 0.00 0.00 19.45 14.19 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 -3.30 1.98 -0.01 0.00 -1.04 -1.26 -4.72 114.28 105.93 1b4m n THR 30 Ca -0.07 -3.84 -0.01 0.00 -2.04 0.00 0.00 64.05 58.09 1b4m n THR 30 Cb 0.61 -0.27 -0.01 0.00 -1.82 0.00 0.00 70.33 68.85 1b4m n THR 30 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1b4m n ARG 31 N -0.57 2.06 -2.27 -2.82 0.00 -1.26 -4.68 116.66 107.11 1b4m n ARG 31 Ca 0.29 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.74 1b4m n ARG 31 Cb 0.85 -1.02 0.02 0.00 -0.00 0.00 0.00 32.46 32.31 1b4m n ARG 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1b4m n LYS 32 N -2.27 4.21 0.00 2.89 4.81 -1.26 -3.71 118.16 122.83 1b4m n LYS 32 Ca -0.02 -4.05 0.00 0.00 -0.87 0.00 0.00 58.31 53.37 1b4m n LYS 32 Cb 0.53 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1b4m n ILE 33 N -0.12 0.00 0.73 3.15 -0.00 -1.26 -4.86 119.36 116.99 1b4m n ILE 33 Ca 0.51 0.00 0.05 0.00 -0.00 0.00 0.00 62.75 63.31 1b4m n ILE 33 Cb 0.26 -0.35 0.16 0.00 -0.00 0.00 0.00 39.64 39.72 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1b4m n ALA 34 N -2.48 2.57 -0.30 -1.39 0.00 -1.25 -4.43 120.51 113.24 1b4m n ALA 34 Ca 0.00 -0.68 0.14 0.00 0.00 0.00 0.00 53.44 52.90 1b4m n ALA 34 Cb 0.00 -0.99 0.27 0.00 0.00 0.00 0.00 19.45 18.73 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m n VAL 35 N 0.51 -0.36 0.00 0.00 0.31 -1.24 -4.47 118.33 113.07 1b4m n VAL 35 Ca 0.12 1.88 0.00 0.00 -0.01 0.00 0.00 64.34 66.33 1b4m n VAL 35 Cb 0.37 -2.76 0.00 0.00 -0.91 0.00 0.00 33.84 30.54 1b4m n VAL 35 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1b4m n ARG 36 N -5.22 0.00 0.00 5.55 3.00 -1.26 -5.01 116.66 113.72 1b4m n ARG 36 Ca 0.21 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.17 1b4m n ARG 36 Cb 0.68 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.18 1b4m n ARG 36 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1b4m n LEU 37 N 0.00 1.05 0.00 6.15 -0.00 -1.26 -4.92 117.00 118.02 1b4m n LEU 37 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 56.01 55.61 1b4m n LEU 37 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1b4m n LEU 37 CO 0.00 0.24 0.00 0.41 -0.00 0.00 0.00 177.39 178.04 1b4m n THR 38 N -1.18 0.00 -4.33 1.47 -1.04 -1.26 -5.01 114.28 102.92 1b4m n THR 38 Ca 0.06 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.85 1b4m n THR 38 Cb 0.36 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.74 1b4m n THR 38 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1b4m s GLN 39 N -1.14 1.05 -0.10 -2.82 0.74 -1.26 -4.44 119.66 111.69 1b4m s GLN 39 Ca 0.00 -0.99 -0.04 0.00 0.05 0.00 0.00 55.36 54.39 1b4m s GLN 39 Cb 0.00 -1.17 0.05 0.00 1.10 0.00 0.00 33.01 32.99 1b4m s GLN 39 CO 0.00 0.28 0.19 0.99 -0.55 0.00 0.00 175.29 176.20 1b4m s THR 40 N -1.06 -0.31 -0.41 -0.34 2.01 -1.17 -4.59 115.64 109.77 1b4m s THR 40 Ca 0.03 0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 1b4m s THR 40 Cb -0.09 -0.36 0.05 0.00 0.01 0.00 0.00 72.50 72.10 1b4m s THR 40 CO 0.03 0.12 0.26 -0.75 -0.69 0.00 0.00 174.62 173.59 1b4m s LYS 41 N 2.33 2.81 0.25 4.92 2.36 0.34 -2.06 119.74 130.69 1b4m s LYS 41 Ca 0.03 -1.22 0.02 0.00 -2.55 0.00 0.00 55.97 52.25 1b4m s LYS 41 Cb -0.12 -3.85 -0.03 0.00 -1.05 0.00 0.00 37.83 32.78 1b4m s LYS 41 CO -0.07 -0.83 0.40 0.42 1.55 0.00 0.00 175.35 176.82 1b4m s ILE 42 N 1.55 5.22 0.02 5.43 1.09 0.34 -1.45 121.20 133.40 1b4m s ILE 42 Ca 0.03 -0.70 0.02 0.00 -1.10 0.00 0.00 60.65 58.90 1b4m s ILE 42 Cb -0.21 -3.82 -0.01 0.00 -1.06 0.00 0.00 42.46 37.35 1b4m s ILE 42 CO 0.06 -0.32 -0.08 -0.51 -0.10 0.00 0.00 174.94 173.99 1b4m s ILE 43 N -2.01 0.60 -0.46 2.92 2.07 -1.26 0.44 121.20 123.51 1b4m s ILE 43 Ca 0.36 -0.70 0.06 0.00 -1.41 0.00 0.00 60.65 58.96 1b4m s ILE 43 Cb -0.10 -0.58 0.19 0.00 0.13 0.00 0.00 42.46 42.10 1b4m s ILE 43 CO 0.31 -0.09 0.54 0.52 -1.91 0.00 0.00 174.94 174.30 1b4m n VAL 44 N 2.19 -0.64 -2.65 4.00 0.31 -1.21 -4.21 118.33 116.12 1b4m n VAL 44 Ca -0.18 -2.38 -0.33 0.00 -0.01 0.00 0.00 64.34 61.44 1b4m n VAL 44 Cb 0.56 -0.44 -0.05 0.00 -0.91 0.00 0.00 33.84 33.00 1b4m n VAL 44 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1b4m s GLN 45 N 0.34 4.00 -0.36 5.55 -0.44 -1.26 -2.00 119.66 125.49 1b4m s GLN 45 Ca 0.32 1.21 0.00 0.00 -2.50 0.00 0.00 55.36 54.39 1b4m s GLN 45 Cb 0.04 -2.14 0.18 0.00 -1.64 0.00 0.00 33.01 29.46 1b4m s GLN 45 CO -0.14 -0.24 0.80 0.34 0.50 0.00 0.00 175.29 176.56 1b4m s ASP 46 N -2.18 -1.04 0.00 6.67 -1.08 -0.16 -4.96 116.67 113.92 1b4m s ASP 46 Ca 0.64 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 52.22 1b4m s ASP 46 Cb -0.12 1.36 0.00 0.00 -1.46 0.00 0.00 42.92 42.70 1b4m s ASP 46 CO 0.18 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.36 1b4m n GLY 47 N 4.25 0.25 0.13 2.66 0.00 -1.26 -1.21 105.19 110.01 1b4m n GLY 47 Ca 0.08 0.53 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 1b4m n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 48 N 2.36 1.93 -4.58 1.61 2.03 -1.26 -4.91 116.55 113.74 1b4m n ASP 48 Ca 0.00 -0.12 -0.43 0.00 0.52 0.00 0.00 54.79 54.76 1b4m n ASP 48 Cb 0.00 -0.39 -0.04 0.00 -0.72 0.00 0.00 41.12 39.97 1b4m n ASP 48 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1b4m s ASN 49 N -6.51 6.57 -0.46 1.67 3.84 -0.35 -0.27 114.94 119.43 1b4m s ASN 49 Ca -0.34 0.33 -0.03 0.00 0.21 0.00 0.00 52.86 53.04 1b4m s ASN 49 Cb 0.09 -2.43 0.12 0.00 -0.55 0.00 0.00 41.25 38.48 1b4m s ASN 49 CO 0.61 -0.86 0.26 0.12 -2.79 0.00 0.00 177.10 174.44 1b4m s PHE 50 N 3.40 3.54 -0.58 0.43 5.36 -0.78 -0.99 117.98 128.36 1b4m s PHE 50 Ca 0.35 -2.46 0.02 0.00 -0.96 0.00 0.00 56.93 53.87 1b4m s PHE 50 Cb -0.12 -3.23 0.15 0.00 -0.34 0.00 0.00 43.02 39.48 1b4m s PHE 50 CO 0.20 -0.95 0.35 0.15 -1.46 0.00 0.00 175.22 173.51 1b4m s LYS 51 N 0.89 2.24 0.64 10.12 1.02 -0.85 -2.47 119.74 131.33 1b4m s LYS 51 Ca 0.10 -2.66 -0.12 0.00 0.02 0.00 0.00 55.97 53.31 1b4m s LYS 51 Cb -0.22 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 1b4m s LYS 51 CO -0.04 -1.14 1.04 0.99 -0.92 0.00 0.00 175.35 175.28 1b4m s THR 52 N -0.32 4.24 -0.05 2.17 2.01 -0.94 -3.36 115.64 119.39 1b4m s THR 52 Ca 0.18 0.82 -0.23 0.00 0.31 0.00 0.00 61.69 62.77 1b4m s THR 52 Cb -0.23 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.77 1b4m s THR 52 CO -0.02 -0.86 0.52 -1.59 -0.69 0.00 0.00 174.62 171.98 1b4m s LYS 53 N -4.80 0.86 -0.29 4.92 -2.85 0.17 0.12 119.74 117.87 1b4m s LYS 53 Ca 0.58 0.13 -0.09 0.00 -1.00 0.00 0.00 55.97 55.60 1b4m s LYS 53 Cb -0.13 0.40 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 1b4m s LYS 53 CO 0.49 -0.24 0.12 -0.08 0.10 0.00 0.00 175.35 175.73 1b4m s THR 54 N -1.09 4.43 -1.37 3.79 -1.32 -1.26 0.13 115.64 118.94 1b4m s THR 54 Ca -0.11 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.01 1b4m s THR 54 Cb -0.03 -3.21 0.09 0.00 -1.51 0.00 0.00 72.50 67.85 1b4m s THR 54 CO 0.07 0.15 0.82 -3.20 -2.21 0.00 0.00 174.62 170.25 1b4m n ASN 55 N 4.95 1.09 -4.60 8.08 4.05 -0.87 -4.37 115.26 123.58 1b4m n ASN 55 Ca -0.15 -2.06 -0.34 0.00 0.45 0.00 0.00 54.58 52.48 1b4m n ASN 55 Cb 0.50 -0.32 0.11 0.00 1.23 0.00 0.00 39.78 41.29 1b4m n ASN 55 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1b4m n SER 56 N -0.06 0.10 -0.01 1.20 2.88 -1.26 -4.89 113.62 111.58 1b4m n SER 56 Ca 0.03 0.56 -0.14 0.00 -1.33 0.00 0.00 58.87 57.99 1b4m n SER 56 Cb 0.24 -1.40 -0.14 0.00 -0.75 0.00 0.00 64.21 62.16 1b4m n SER 56 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1b4m h THR 57 N -0.84 0.78 0.40 2.46 1.35 -1.92 -3.36 112.91 111.77 1b4m h THR 57 Ca -0.46 -2.57 -0.02 0.00 -0.55 0.00 0.00 66.41 62.81 1b4m h THR 57 Cb 1.31 2.48 -0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1b4m h THR 57 CO 0.44 0.67 -0.24 -0.26 -0.25 0.00 0.00 175.52 175.87 1b4m h PHE 58 N 0.03 -0.65 -1.88 4.73 0.04 -1.92 -3.44 116.94 113.86 1b4m h PHE 58 Ca -0.33 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.29 1b4m h PHE 58 Cb 2.02 0.23 -0.29 0.00 2.20 0.00 0.00 35.95 40.11 1b4m h PHE 58 CO 0.03 -0.36 -0.47 0.50 -0.60 0.00 0.00 178.31 177.41 1b4m s ARG 59 N -4.43 0.35 -0.70 1.51 3.52 -1.26 -5.06 118.95 112.88 1b4m s ARG 59 Ca -0.09 0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 56.04 1b4m s ARG 59 Cb 0.01 -0.43 0.18 0.00 -1.56 0.00 0.00 34.95 33.15 1b4m s ARG 59 CO 0.29 -0.63 0.54 0.54 -0.81 0.00 0.00 175.30 175.23 1b4m s ASN 60 N 2.56 5.46 -0.12 -2.12 2.20 -1.26 -4.62 114.94 117.04 1b4m s ASN 60 Ca 0.13 -3.09 -0.11 0.00 -0.94 0.00 0.00 52.86 48.85 1b4m s ASN 60 Cb -0.15 -1.88 -0.09 0.00 -2.00 0.00 0.00 41.25 37.13 1b4m s ASN 60 CO -0.16 -0.33 0.22 0.22 -2.94 0.00 0.00 177.10 174.12 1b4m h TYR 61 N 6.77 0.00 0.00 1.54 5.03 -1.95 -3.49 116.97 124.87 1b4m h TYR 61 Ca 0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1b4m h TYR 61 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.20 1b4m h TYR 61 CO 0.73 0.38 0.00 -0.40 -1.32 0.00 0.00 178.16 177.55 1b4m n ASP 62 N -4.69 0.00 -2.73 -2.11 5.75 -1.26 -4.87 116.55 106.64 1b4m n ASP 62 Ca -0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.35 1b4m n ASP 62 Cb 0.21 0.29 0.05 0.00 -1.03 0.00 0.00 41.12 40.64 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1b4m n LEU 63 N -0.89 7.51 -4.56 -2.12 7.94 0.33 -4.96 117.00 120.25 1b4m n LEU 63 Ca 0.00 -4.63 -0.34 0.00 -1.11 0.00 0.00 56.01 49.93 1b4m n LEU 63 Cb 0.00 -1.06 -0.04 0.00 0.53 0.00 0.00 43.42 42.86 1b4m n LEU 63 CO 0.00 1.67 1.44 -0.62 -1.11 0.00 0.00 177.39 178.78 1b4m s ASP 64 N -1.18 5.43 0.44 1.96 2.15 -1.24 -2.22 116.67 122.01 1b4m s ASP 64 Ca 0.55 -0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.21 1b4m s ASP 64 Cb 0.45 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.50 1b4m s ASP 64 CO -0.30 -2.39 0.10 -0.36 -0.17 0.00 0.00 175.17 172.05 1b4m s PHE 65 N 8.75 1.80 -0.11 -5.34 0.40 -1.03 -5.00 117.98 117.46 1b4m s PHE 65 Ca 0.63 -1.20 -0.16 0.00 -0.60 0.00 0.00 56.93 55.60 1b4m s PHE 65 Cb -0.08 -1.29 0.04 0.00 0.51 0.00 0.00 43.02 42.20 1b4m s PHE 65 CO 0.08 -0.16 0.40 0.99 0.70 0.00 0.00 175.22 177.23 1b4m s THR 66 N -3.10 0.02 0.59 0.64 2.01 -1.26 -1.87 115.64 112.66 1b4m s THR 66 Ca 0.18 -0.13 -0.18 0.00 0.31 0.00 0.00 61.69 61.87 1b4m s THR 66 Cb 0.02 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1b4m s THR 66 CO 0.11 -0.07 1.12 -0.69 -0.69 0.00 0.00 174.62 174.39 1b4m s VAL 67 N -0.31 3.24 -1.44 3.82 1.01 0.62 -3.32 120.40 124.03 1b4m s VAL 67 Ca -0.05 0.69 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 1b4m s VAL 67 Cb -0.03 -3.23 0.12 0.00 0.00 0.00 0.00 36.38 33.24 1b4m s VAL 67 CO 0.02 -0.25 0.61 0.61 0.00 0.00 0.00 175.10 176.09 1b4m n GLY 68 N -0.16 -0.47 0.01 4.51 0.00 0.20 -4.79 105.19 104.50 1b4m n GLY 68 Ca 0.11 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1b4m n GLY 68 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1b4m n VAL 69 N -4.07 0.05 -3.13 1.61 3.14 -1.21 -5.01 118.33 109.71 1b4m n VAL 69 Ca 0.04 -0.22 -0.09 0.00 -2.96 0.00 0.00 64.34 61.10 1b4m n VAL 69 Cb 0.51 0.46 0.01 0.00 -1.06 0.00 0.00 33.84 33.76 1b4m n VAL 69 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1b4m n GLU 70 N -1.87 -1.75 -0.83 1.45 2.13 -1.26 -4.67 120.64 113.84 1b4m n GLU 70 Ca 0.01 1.60 -0.43 0.00 0.66 0.00 0.00 57.16 59.00 1b4m n GLU 70 Cb 0.43 -4.96 -0.09 0.00 0.27 0.00 0.00 31.44 27.09 1b4m n GLU 70 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1b4m n PHE 71 N -1.26 0.83 -1.49 4.31 7.35 -0.99 -4.83 117.46 121.38 1b4m n PHE 71 Ca -0.01 -1.02 -0.15 0.00 -0.76 0.00 0.00 57.45 55.51 1b4m n PHE 71 Cb 0.53 -1.24 -0.12 0.00 0.35 0.00 0.00 39.48 39.00 1b4m n PHE 71 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1b4m n ASP 72 N 8.95 0.35 -0.00 -2.13 -0.08 -1.26 -1.35 116.55 121.02 1b4m n ASP 72 Ca 0.48 -1.34 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 1b4m n ASP 72 Cb 0.42 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1b4m n ASP 72 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1b4m n GLU 73 N 7.27 0.00 -0.63 -0.67 0.00 -0.78 -4.90 120.64 120.92 1b4m n GLU 73 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.64 1b4m n GLU 73 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.79 1b4m n GLU 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1b4m n HIS 74 N -0.00 0.00 -3.81 -1.84 -0.00 -1.26 -4.77 115.22 103.54 1b4m n HIS 74 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 1b4m n HIS 74 Cb 0.00 -0.63 -0.08 0.00 -0.12 0.00 0.00 29.99 29.16 1b4m n HIS 74 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1b4m s THR 75 N 0.00 0.09 0.00 3.57 -1.32 -1.26 -5.01 115.64 111.71 1b4m s THR 75 Ca 0.00 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.74 1b4m s THR 75 Cb 0.00 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1b4m s THR 75 CO 0.00 -0.41 0.00 2.29 -2.21 0.00 0.00 174.62 174.29 1b4m n LYS 76 N 0.81 0.00 0.00 7.08 2.85 -1.26 -3.72 118.16 123.91 1b4m n LYS 76 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1b4m n LYS 76 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1b4m n GLY 77 N -0.03 0.96 1.81 2.58 0.00 -1.26 -4.89 105.19 104.36 1b4m n GLY 77 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.94 0.00 0.99 7.94 -1.26 -5.03 117.00 118.70 1b4m n LEU 78 Ca 0.00 -2.18 0.00 0.00 -1.11 0.00 0.00 56.01 52.72 1b4m n LEU 78 Cb 0.00 0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1b4m n LEU 78 CO 0.00 1.41 0.00 -0.67 -1.11 0.00 0.00 177.39 177.02 1b4m n ASP 79 N -0.72 0.00 -1.59 1.96 2.03 -1.26 -5.03 116.55 111.94 1b4m n ASP 79 Ca -0.16 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.15 1b4m n ASP 79 Cb 0.70 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.68 0.00 0.27 0.00 -1.26 -5.02 105.19 98.50 1b4m n GLY 80 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.57 0.00 -3.27 1.61 3.00 -1.24 -5.04 116.66 111.15 1b4m n ARG 81 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.89 1b4m n ARG 81 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.54 1b4m n ARG 81 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1b4m s ASN 82 N 1.96 -1.10 -0.11 6.15 0.01 -1.26 -4.20 114.94 116.40 1b4m s ASN 82 Ca 0.00 0.90 -0.06 0.00 -0.71 0.00 0.00 52.86 52.99 1b4m s ASN 82 Cb 0.00 2.01 0.04 0.00 0.41 0.00 0.00 41.25 43.71 1b4m s ASN 82 CO 0.00 -0.21 0.26 -0.69 -1.51 0.00 0.00 177.10 174.95 1b4m s VAL 83 N 2.84 -0.03 -0.08 1.60 1.01 -1.26 -4.82 120.40 119.66 1b4m s VAL 83 Ca 0.10 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1b4m s VAL 83 Cb -0.13 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.79 1b4m s VAL 83 CO -0.18 0.05 2.07 -0.54 0.00 0.00 0.00 175.10 176.49 1b4m s LYS 84 N 1.07 3.69 -0.64 2.72 1.02 -1.23 -1.87 119.74 124.50 1b4m s LYS 84 Ca -0.08 2.33 0.06 0.00 0.02 0.00 0.00 55.97 58.30 1b4m s LYS 84 Cb -0.09 -4.25 0.22 0.00 -0.52 0.00 0.00 37.83 33.19 1b4m s LYS 84 CO -0.07 -1.47 0.62 2.41 -0.92 0.00 0.00 175.35 175.92 1b4m n THR 85 N 6.53 1.71 -2.13 2.17 -1.04 -0.45 0.30 114.28 121.36 1b4m n THR 85 Ca 0.24 -4.92 -0.39 0.00 -2.04 0.00 0.00 64.05 56.94 1b4m n THR 85 Cb 0.43 -2.10 -0.01 0.00 -1.82 0.00 0.00 70.33 66.83 1b4m n THR 85 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1b4m s LEU 86 N -1.89 4.18 -0.08 -4.42 2.96 -1.03 -2.34 118.68 116.07 1b4m s LEU 86 Ca 0.34 2.54 0.04 0.00 -0.22 0.00 0.00 54.13 56.82 1b4m s LEU 86 Cb 0.07 -3.97 0.00 0.00 0.50 0.00 0.00 46.19 42.79 1b4m s LEU 86 CO -0.09 -0.82 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.23 1b4m s VAL 87 N -1.33 1.71 0.10 1.68 1.01 -1.26 -0.72 120.40 121.59 1b4m s VAL 87 Ca 0.58 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 1b4m s VAL 87 Cb -0.35 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1b4m s VAL 87 CO 0.45 0.48 0.33 -0.89 0.00 0.00 0.00 175.10 175.47 1b4m s THR 88 N 0.36 0.09 0.18 3.92 2.01 0.69 0.61 115.64 123.50 1b4m s THR 88 Ca -0.15 -0.76 -0.19 0.00 0.31 0.00 0.00 61.69 60.90 1b4m s THR 88 Cb -0.16 -1.19 -0.08 0.00 0.01 0.00 0.00 72.50 71.08 1b4m s THR 88 CO 0.06 -0.42 0.67 0.26 -0.69 0.00 0.00 174.62 174.50 1b4m s TRP 89 N -3.68 3.68 -0.09 4.92 0.52 -1.26 -0.32 118.94 122.72 1b4m s TRP 89 Ca 0.03 1.32 0.02 0.00 0.02 0.00 0.00 56.10 57.49 1b4m s TRP 89 Cb 0.02 -2.56 -0.25 0.00 -1.15 0.00 0.00 33.47 29.54 1b4m s TRP 89 CO -0.11 0.40 0.50 -1.91 0.02 0.00 0.00 176.95 175.86 1b4m n GLU 90 N 0.94 0.70 0.00 4.98 4.07 0.49 -4.83 120.64 126.99 1b4m n GLU 90 Ca -0.04 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1b4m n GLU 90 Cb 0.51 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1b4m n GLY 91 N 1.80 1.30 2.62 8.31 0.00 -1.26 -4.93 105.19 113.04 1b4m n GLY 91 Ca -0.25 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.10 0.00 1.61 2.04 -1.26 -4.65 115.26 110.90 1b4m n ASN 92 Ca 0.00 -3.27 0.00 0.00 -0.44 0.00 0.00 54.58 50.87 1b4m n ASN 92 Cb 0.00 1.32 0.00 0.00 -2.53 0.00 0.00 39.78 38.57 1b4m n ASN 92 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 1b4m n THR 93 N 1.30 0.00 -2.80 5.53 5.66 -1.26 -4.54 114.28 118.17 1b4m n THR 93 Ca 0.11 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.68 1b4m n THR 93 Cb 0.63 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.40 1b4m n THR 93 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1b4m s LEU 94 N 0.00 4.56 0.08 1.09 2.96 -1.26 0.18 118.68 126.29 1b4m s LEU 94 Ca 0.00 -2.54 -0.26 0.00 -0.22 0.00 0.00 54.13 51.12 1b4m s LEU 94 Cb 0.00 -2.47 -0.06 0.00 0.50 0.00 0.00 46.19 44.16 1b4m s LEU 94 CO 0.00 -0.99 0.79 -0.69 -1.32 0.00 0.00 176.35 174.14 1b4m s VAL 95 N 2.84 4.63 -0.05 1.68 1.01 0.57 -2.93 120.40 128.14 1b4m s VAL 95 Ca 0.45 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 64.08 1b4m s VAL 95 Cb -0.01 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.25 1b4m s VAL 95 CO -0.00 0.39 0.12 0.00 0.00 0.00 0.00 175.10 175.61 1b4m s VAL 97 N 0.31 3.18 -0.62 0.00 -7.23 0.10 -3.18 120.40 112.96 1b4m s VAL 97 Ca -0.02 -0.67 -0.19 0.00 -1.81 0.00 0.00 61.98 59.29 1b4m s VAL 97 Cb -0.03 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.52 1b4m s VAL 97 CO -0.01 0.36 0.72 -1.10 -0.31 0.00 0.00 175.10 174.75 1b4m s GLN 98 N 1.43 3.10 -1.18 4.82 -1.52 -1.25 -2.45 119.66 122.60 1b4m s GLN 98 Ca 0.04 -1.42 -0.11 0.00 -1.95 0.00 0.00 55.36 51.93 1b4m s GLN 98 Cb -0.15 -4.31 0.22 0.00 -0.22 0.00 0.00 33.01 28.55 1b4m s GLN 98 CO -0.04 -1.54 1.41 1.17 -0.25 0.00 0.00 175.29 176.05 1b4m n LYS 99 N 6.19 3.57 0.00 2.91 3.00 0.15 -3.83 118.16 130.15 1b4m n LYS 99 Ca -0.07 -4.06 0.00 0.00 -0.00 0.00 0.00 58.31 54.19 1b4m n LYS 99 Cb 0.43 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.63 1b4m n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b4m n GLY 100 N 3.20 1.03 0.00 3.14 0.00 -1.26 -3.51 105.19 107.79 1b4m n GLY 100 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.00 0.00 1.61 2.13 -1.26 -4.95 120.64 118.17 1b4m n GLU 101 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b4m n GLU 101 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.00 -4.32 5.31 0.00 -1.26 -5.09 118.16 112.80 1b4m n LYS 102 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.13 1b4m n LYS 102 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1b4m s GLU 103 N 0.00 1.57 -0.37 1.64 1.03 -1.26 -4.90 118.70 116.42 1b4m s GLU 103 Ca 0.00 -1.89 0.02 0.00 0.03 0.00 0.00 54.97 53.13 1b4m s GLU 103 Cb 0.00 -0.05 0.11 0.00 -0.80 0.00 0.00 34.13 33.39 1b4m s GLU 103 CO 0.00 -0.46 0.12 -0.80 -1.33 0.00 0.00 175.26 172.79 1b4m s ASN 104 N -3.36 4.31 0.00 0.83 0.01 -1.26 -4.29 114.94 111.18 1b4m s ASN 104 Ca 0.36 -2.16 0.18 0.00 -0.71 0.00 0.00 52.86 50.54 1b4m s ASN 104 Cb 0.05 -1.29 0.56 0.00 0.41 0.00 0.00 41.25 40.97 1b4m s ASN 104 CO 0.18 -0.36 1.43 0.54 -1.51 0.00 0.00 177.10 177.38 1b4m n ARG 105 N 4.21 1.92 -1.52 -0.60 5.12 -1.25 -2.09 116.66 122.45 1b4m n ARG 105 Ca 0.03 -1.40 -0.33 0.00 -1.93 0.00 0.00 57.85 54.22 1b4m n ARG 105 Cb 0.40 -1.38 -0.11 0.00 -1.16 0.00 0.00 32.46 30.20 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 1.19 -0.23 3.73 -0.13 0.00 -1.26 -4.59 105.19 103.90 1b4m n GLY 106 Ca 0.16 0.70 -0.35 0.00 0.00 0.00 0.00 46.02 46.53 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 9.41 3.31 0.36 1.61 -2.14 -1.19 -3.53 118.94 126.77 1b4m s TRP 107 Ca 1.18 0.27 -0.06 0.00 2.66 0.00 0.00 56.10 60.14 1b4m s TRP 107 Cb -0.70 -1.89 0.03 0.00 -3.10 0.00 0.00 33.47 27.80 1b4m s TRP 107 CO 0.38 0.49 0.58 0.36 -2.66 0.00 0.00 176.95 176.09 1b4m n LYS 108 N 2.38 0.83 -4.27 3.25 2.85 -1.22 -3.29 118.16 118.69 1b4m n LYS 108 Ca -0.19 -2.53 -0.18 0.00 -1.05 0.00 0.00 58.31 54.36 1b4m n LYS 108 Cb 0.54 2.66 -0.09 0.00 -0.65 0.00 0.00 35.03 37.49 1b4m n LYS 108 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1b4m s GLN 109 N -2.54 1.65 0.00 -1.58 0.00 -1.15 -2.13 119.66 113.91 1b4m s GLN 109 Ca 0.24 -1.94 0.00 0.00 -0.00 0.00 0.00 55.36 53.65 1b4m s GLN 109 Cb -0.02 0.29 0.00 0.00 0.00 0.00 0.00 33.01 33.28 1b4m s GLN 109 CO 0.17 -0.59 0.00 -2.67 0.00 0.00 0.00 175.29 172.20 1b4m n TRP 110 N -0.56 0.00 -1.52 9.60 2.14 -1.25 -4.28 117.44 121.57 1b4m n TRP 110 Ca 0.06 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.30 1b4m n TRP 110 Cb 0.63 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 31.00 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 -0.02 -3.65 -1.67 0.31 -1.26 -3.83 118.33 108.20 1b4m n VAL 111 Ca 0.00 -0.34 -0.39 0.00 -0.01 0.00 0.00 64.34 63.61 1b4m n VAL 111 Cb 0.00 -1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 31.75 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 8.43 2.43 -0.68 5.55 0.41 -0.29 -4.82 118.70 129.73 1b4m s GLU 112 Ca 1.22 -2.04 -0.07 0.00 -0.41 0.00 0.00 54.97 53.67 1b4m s GLU 112 Cb -0.81 -3.80 0.01 0.00 -1.78 0.00 0.00 34.13 27.75 1b4m s GLU 112 CO 0.41 -1.16 0.65 0.41 -0.49 0.00 0.00 175.26 175.09 1b4m n GLY 113 N 4.35 -1.13 3.62 -1.39 0.00 -1.26 -3.96 105.19 105.43 1b4m n GLY 113 Ca -0.00 0.72 -0.26 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.58 -5.59 0.00 1.61 9.92 -1.26 -4.97 116.55 114.68 1b4m n ASP 114 Ca -0.07 -0.88 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 1b4m n ASP 114 Cb 0.56 -3.32 0.00 0.00 -0.64 0.00 0.00 41.12 37.72 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1b4m n LYS 115 N -3.61 0.00 -1.10 -1.24 2.85 -1.25 -4.40 118.16 109.41 1b4m n LYS 115 Ca -0.12 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.01 1b4m n LYS 115 Cb 0.59 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 35.06 1b4m n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1b4m n LEU 116 N 0.00 0.00 -2.84 -5.58 7.99 -1.26 -1.14 117.00 114.17 1b4m n LEU 116 Ca 0.00 -0.80 -0.11 0.00 -0.01 0.00 0.00 56.01 55.08 1b4m n LEU 116 Cb 0.00 -0.46 0.03 0.00 -0.11 0.00 0.00 43.42 42.88 1b4m n LEU 116 CO 0.00 -0.91 0.10 -1.22 -1.51 0.00 0.00 177.39 173.85 1b4m n TYR 117 N -2.70 -2.71 -1.81 -1.77 4.01 -1.25 -3.97 117.16 106.96 1b4m n TYR 117 Ca 0.08 -2.15 -0.20 0.00 -0.16 0.00 0.00 57.90 55.48 1b4m n TYR 117 Cb 0.29 1.17 -0.07 0.00 -0.31 0.00 0.00 39.34 40.42 1b4m n TYR 117 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1b4m s LEU 118 N -0.87 2.91 -0.54 7.72 0.20 -1.26 -3.96 118.68 122.87 1b4m s LEU 118 Ca 0.32 -0.59 -0.10 0.00 0.69 0.00 0.00 54.13 54.46 1b4m s LEU 118 Cb 0.22 -2.57 0.14 0.00 -0.43 0.00 0.00 46.19 43.55 1b4m s LEU 118 CO -0.21 -3.53 0.43 -1.61 -0.29 0.00 0.00 176.35 171.14 1b4m s GLU 119 N 7.86 2.69 0.29 1.98 2.02 -0.91 -2.96 118.70 129.67 1b4m s GLU 119 Ca 0.80 -1.94 0.06 0.00 0.02 0.00 0.00 54.97 53.92 1b4m s GLU 119 Cb -0.08 -4.01 -0.02 0.00 0.10 0.00 0.00 34.13 30.11 1b4m s GLU 119 CO 0.07 -1.22 0.34 -0.48 0.02 0.00 0.00 175.26 173.99 1b4m s LEU 120 N 1.07 3.94 0.07 1.80 0.05 -0.83 -3.37 118.68 121.41 1b4m s LEU 120 Ca 0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 54.13 54.05 1b4m s LEU 120 Cb -0.24 -2.57 -0.04 0.00 -2.05 0.00 0.00 46.19 41.29 1b4m s LEU 120 CO -0.02 -0.23 -0.02 0.28 -0.55 0.00 0.00 176.35 175.81 1b4m s THR 121 N -2.14 0.25 -0.45 5.48 -1.32 -1.23 0.37 115.64 116.59 1b4m s THR 121 Ca 0.38 -1.84 0.06 0.00 -1.21 0.00 0.00 61.69 59.09 1b4m s THR 121 Cb -0.08 -1.62 0.32 0.00 -1.51 0.00 0.00 72.50 69.61 1b4m s THR 121 CO 0.28 -0.90 1.11 0.00 -2.21 0.00 0.00 174.62 172.90 1b4m n GLY 123 N 0.32 1.83 2.73 0.00 0.00 -1.09 -4.25 105.19 104.73 1b4m n GLY 123 Ca 0.07 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 1b4m n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b4m n ASP 124 N 4.00 -2.39 -2.19 1.61 5.75 -1.26 -4.84 116.55 117.23 1b4m n ASP 124 Ca 0.00 -3.29 -0.03 0.00 -0.01 0.00 0.00 54.79 51.45 1b4m n ASP 124 Cb 0.00 1.76 0.07 0.00 -1.03 0.00 0.00 41.12 41.92 1b4m n ASP 124 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b4m n GLN 125 N 0.89 0.98 -1.00 0.11 1.13 -1.26 -5.07 117.38 113.16 1b4m n GLN 125 Ca 0.06 -1.33 -0.46 0.00 -1.94 0.00 0.00 57.00 53.33 1b4m n GLN 125 Cb 0.68 0.30 -0.09 0.00 0.11 0.00 0.00 30.24 31.24 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 -1.01 0.00 -3.11 5.09 3.14 -1.26 -4.57 118.33 116.61 1b4m n VAL 126 Ca -0.18 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.79 1b4m n VAL 126 Cb 0.83 -0.38 -0.06 0.00 -1.06 0.00 0.00 33.84 33.17 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 2.54 2.86 0.33 0.00 3.52 -1.26 -1.97 118.95 124.98 1b4m s ARG 128 Ca 0.26 -1.03 0.08 0.00 -0.13 0.00 0.00 55.73 54.90 1b4m s ARG 128 Cb -0.15 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 1b4m s ARG 128 CO 0.09 -0.62 0.22 -0.65 -0.81 0.00 0.00 175.30 173.53 1b4m s GLN 129 N 1.51 2.56 0.17 5.12 -0.21 -1.16 -3.08 119.66 124.58 1b4m s GLN 129 Ca 0.01 -1.41 0.07 0.00 0.02 0.00 0.00 55.36 54.06 1b4m s GLN 129 Cb -0.19 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 1b4m s GLN 129 CO 0.05 0.11 -0.15 0.08 -2.12 0.00 0.00 175.29 173.26 1b4m s VAL 130 N -2.36 1.63 0.29 1.09 1.01 -1.14 -4.46 120.40 116.46 1b4m s VAL 130 Ca 0.39 -1.99 0.03 0.00 0.00 0.00 0.00 61.98 60.41 1b4m s VAL 130 Cb -0.04 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1b4m s VAL 130 CO 0.25 -0.47 0.15 -0.36 0.00 0.00 0.00 175.10 174.66 1b4m s PHE 131 N -2.50 1.55 -0.32 5.22 0.08 -1.25 -3.48 117.98 117.27 1b4m s PHE 131 Ca 0.17 -1.36 0.04 0.00 0.12 0.00 0.00 56.93 55.90 1b4m s PHE 131 Cb -0.03 -0.83 0.19 0.00 -0.57 0.00 0.00 43.02 41.79 1b4m s PHE 131 CO 0.05 -0.52 0.67 0.21 -0.10 0.00 0.00 175.22 175.53 1b4m s LYS 132 N -3.87 0.57 0.22 0.44 2.47 -1.26 -4.63 119.74 113.68 1b4m s LYS 132 Ca 0.36 0.28 0.05 0.00 -1.56 0.00 0.00 55.97 55.10 1b4m s LYS 132 Cb 0.05 0.18 0.64 0.00 -1.46 0.00 0.00 37.83 37.25 1b4m s LYS 132 CO 0.17 -0.97 1.05 0.36 0.16 0.00 0.00 175.35 176.12 1b4m n LYS 133 N 5.06 -0.05 0.00 4.03 2.85 -1.26 -1.05 118.16 127.74 1b4m n LYS 133 Ca 0.07 0.98 0.00 0.00 -1.05 0.00 0.00 58.31 58.31 1b4m n LYS 133 Cb 0.56 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 1b4m n LYS 133 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52