#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m n THR 2 N 0.00 0.75 -3.19 2.03 -2.24 -1.26 -5.10 114.28 105.26 1b4m n THR 2 Ca 0.00 0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.83 1b4m n THR 2 Cb 0.00 -1.16 0.01 0.00 -2.10 0.00 0.00 70.33 67.08 1b4m n THR 2 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1b4m s LYS 3 N -1.97 2.97 -0.23 -0.78 0.00 -1.26 -4.76 119.74 113.71 1b4m s LYS 3 Ca 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 55.97 54.94 1b4m s LYS 3 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 37.83 35.10 1b4m s LYS 3 CO 0.00 -0.15 0.20 -3.47 0.00 0.00 0.00 175.35 171.93 1b4m n ASP 4 N -1.83 -5.75 -2.38 0.03 2.03 -1.26 -4.94 116.55 102.44 1b4m n ASP 4 Ca 0.03 0.59 -0.28 0.00 0.52 0.00 0.00 54.79 55.65 1b4m n ASP 4 Cb 0.58 -3.74 0.02 0.00 -0.72 0.00 0.00 41.12 37.26 1b4m n ASP 4 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1b4m n GLN 5 N -0.00 3.36 -1.01 -0.67 -0.06 -1.26 -5.06 117.38 112.67 1b4m n GLN 5 Ca 0.04 -4.21 -0.36 0.00 -2.00 0.00 0.00 57.00 50.47 1b4m n GLN 5 Cb 0.16 -2.26 -0.03 0.00 -4.06 0.00 0.00 30.24 24.04 1b4m n GLN 5 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1b4m n ASN 6 N -0.58 -0.66 0.00 1.69 2.85 -1.26 -4.89 115.26 112.40 1b4m n ASN 6 Ca 0.44 0.80 0.00 0.00 -0.11 0.00 0.00 54.58 55.71 1b4m n ASN 6 Cb 0.70 -0.67 0.00 0.00 1.24 0.00 0.00 39.78 41.06 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1b4m n GLY 7 N 1.33 -0.81 2.99 8.20 0.00 -1.21 -5.06 105.19 110.62 1b4m n GLY 7 Ca 0.13 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.00 0.37 -0.03 2.61 -1.32 -1.26 -2.17 115.64 110.84 1b4m s THR 8 Ca 0.00 -0.56 -0.02 0.00 -1.21 0.00 0.00 61.69 59.90 1b4m s THR 8 Cb 0.00 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.62 1b4m s THR 8 CO 0.00 -0.13 0.06 0.26 -2.21 0.00 0.00 174.62 172.60 1b4m s TRP 9 N -0.68 -0.06 -2.04 9.09 0.52 -0.41 -1.04 118.94 124.33 1b4m s TRP 9 Ca -0.04 0.19 0.16 0.00 0.02 0.00 0.00 56.10 56.43 1b4m s TRP 9 Cb -0.05 -0.03 0.89 0.00 -1.15 0.00 0.00 33.47 33.13 1b4m s TRP 9 CO -0.00 -0.06 1.59 0.39 0.02 0.00 0.00 176.95 178.89 1b4m n GLU 10 N 3.38 1.12 0.00 4.98 -0.58 -1.10 0.30 120.64 128.73 1b4m n GLU 10 Ca -0.16 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 1b4m n GLU 10 Cb 0.57 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1b4m n GLU 10 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1b4m n MET 11 N -0.57 0.00 0.00 3.49 0.00 -1.26 -4.65 117.12 114.12 1b4m n MET 11 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.82 1b4m n MET 11 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.32 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1b4m n GLU 12 N 0.00 0.00 -3.56 2.12 2.13 -1.26 -3.57 120.64 116.51 1b4m n GLU 12 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1b4m n GLU 12 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1b4m n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b4m s SER 13 N 0.00 -0.30 0.34 4.31 0.15 -1.26 -5.14 113.70 111.80 1b4m s SER 13 Ca 0.00 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.84 1b4m s SER 13 Cb 0.00 0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 64.53 1b4m s SER 13 CO 0.00 -0.41 0.05 0.54 1.20 0.00 0.00 173.24 174.62 1b4m s ASN 14 N -1.84 2.60 -0.13 5.45 2.20 -1.26 -2.98 114.94 118.98 1b4m s ASN 14 Ca 0.04 -1.37 0.02 0.00 -0.94 0.00 0.00 52.86 50.60 1b4m s ASN 14 Cb -0.01 -0.13 0.01 0.00 -2.00 0.00 0.00 41.25 39.12 1b4m s ASN 14 CO -0.04 -0.58 -0.19 -0.70 -2.94 0.00 0.00 177.10 172.65 1b4m s GLU 15 N -3.86 2.72 -0.29 3.55 -6.30 -0.68 -4.91 118.70 108.93 1b4m s GLU 15 Ca 0.36 -0.75 -0.18 0.00 -2.50 0.00 0.00 54.97 51.91 1b4m s GLU 15 Cb 0.09 -2.24 0.03 0.00 0.00 0.00 0.00 34.13 32.01 1b4m s GLU 15 CO 0.16 -0.04 0.36 -1.71 0.02 0.00 0.00 175.26 174.05 1b4m n ASN 16 N 4.14 -6.61 -0.04 -1.70 5.15 -1.26 -4.07 115.26 110.87 1b4m n ASN 16 Ca -0.20 0.36 -0.09 0.00 -0.60 0.00 0.00 54.58 54.05 1b4m n ASN 16 Cb 0.51 -2.79 -0.14 0.00 -0.53 0.00 0.00 39.78 36.83 1b4m n ASN 16 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1b4m n PHE 17 N 0.38 0.82 0.13 1.20 7.35 -1.26 -3.99 117.46 122.09 1b4m n PHE 17 Ca -0.01 0.29 -0.10 0.00 -0.76 0.00 0.00 57.45 56.86 1b4m n PHE 17 Cb 0.49 -1.15 -0.06 0.00 0.35 0.00 0.00 39.48 39.11 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1b4m h GLU 18 N 0.00 -0.39 -0.22 -4.13 4.81 -1.92 -3.07 114.58 109.66 1b4m h GLU 18 Ca -0.34 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.98 1b4m h GLU 18 Cb 2.06 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.52 1b4m h GLU 18 CO 0.07 -0.08 0.36 0.78 -0.73 0.00 0.00 179.01 179.40 1b4m h GLY 19 N -0.97 0.00 0.30 1.92 0.00 -1.91 0.32 103.07 102.73 1b4m h GLY 19 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1b4m h GLY 19 CO 0.07 0.00 -0.04 -1.82 0.00 0.00 0.00 176.54 174.75 1b4m h TYR 20 N 0.00 0.05 0.00 5.60 3.20 -1.69 0.29 116.97 124.42 1b4m h TYR 20 Ca 0.10 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1b4m h TYR 20 Cb 0.81 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1b4m h TYR 20 CO 0.00 0.77 -0.02 0.52 -1.64 0.00 0.00 178.16 177.79 1b4m h MET 21 N -0.69 0.00 0.00 1.82 2.86 -0.87 -0.25 114.93 117.79 1b4m h MET 21 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1b4m h MET 21 Cb 0.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1b4m h MET 21 CO 0.01 0.02 -0.27 0.87 1.06 0.00 0.00 176.91 178.60 1b4m h LYS 22 N 0.00 0.00 -0.08 1.72 1.57 -0.42 -1.65 116.57 117.71 1b4m h LYS 22 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1b4m h LYS 22 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1b4m h LYS 22 CO 0.00 0.27 -0.83 0.00 -0.57 0.00 0.00 179.45 178.33 1b4m h ALA 23 N 1.73 0.40 -0.56 3.86 0.00 0.93 -3.00 119.26 122.62 1b4m h ALA 23 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1b4m h ALA 23 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1b4m h ALA 23 CO 0.04 0.74 0.00 1.47 0.00 0.00 0.00 179.25 181.50 1b4m n LEU 24 N -3.85 3.12 -3.52 0.00 -0.00 -1.11 -4.93 117.00 106.70 1b4m n LEU 24 Ca -0.07 -1.53 -0.20 0.00 -0.00 0.00 0.00 56.01 54.21 1b4m n LEU 24 Cb 0.77 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1b4m n LEU 24 CO 0.51 0.77 -0.15 -0.90 -0.00 0.00 0.00 177.39 177.62 1b4m n ASP 25 N 1.21 -2.86 0.01 1.45 5.68 -1.07 -4.81 116.55 116.15 1b4m n ASP 25 Ca 0.20 -0.68 -0.10 0.00 -0.50 0.00 0.00 54.79 53.70 1b4m n ASP 25 Cb 0.50 -0.99 -0.14 0.00 -1.14 0.00 0.00 41.12 39.35 1b4m n ASP 25 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1b4m h ILE 26 N -0.03 1.03 0.00 2.12 2.10 -1.57 -3.50 117.51 117.66 1b4m h ILE 26 Ca -0.42 -2.83 0.00 0.00 1.08 0.00 0.00 64.86 62.69 1b4m h ILE 26 Cb 0.88 2.55 0.00 0.00 -1.09 0.00 0.00 36.82 39.16 1b4m h ILE 26 CO 0.26 0.65 0.00 0.47 -1.08 0.00 0.00 178.15 178.45 1b4m n ASP 27 N -3.19 0.00 -1.63 2.19 8.00 -1.26 -5.02 116.55 115.65 1b4m n ASP 27 Ca -0.15 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 1b4m n ASP 27 Cb 1.03 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 42.21 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1b4m n PHE 28 N 0.12 1.36 -3.85 1.24 3.01 -1.26 -4.64 117.46 113.44 1b4m n PHE 28 Ca 0.00 -1.79 -0.04 0.00 1.01 0.00 0.00 57.45 56.62 1b4m n PHE 28 Cb 0.00 -0.28 0.01 0.00 -0.01 0.00 0.00 39.48 39.21 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1b4m s ALA 29 N -3.13 -1.45 0.00 4.37 0.00 -1.26 -5.01 121.76 115.27 1b4m s ALA 29 Ca 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1b4m s ALA 29 Cb 0.38 0.73 0.00 0.00 0.00 0.00 0.00 23.12 24.23 1b4m s ALA 29 CO -0.03 -1.05 0.00 2.41 0.00 0.00 0.00 175.76 177.09 1b4m n THR 30 N -0.63 0.00 0.30 0.00 -1.04 -1.26 -4.61 114.28 107.03 1b4m n THR 30 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1b4m n THR 30 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 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 0.00 0.03 0.02 -2.82 0.00 -1.26 0.73 116.66 113.36 1b4m n ARG 31 Ca 0.00 0.85 -0.12 0.00 -0.00 0.00 0.00 57.85 58.59 1b4m n ARG 31 Cb 0.00 -2.35 -0.14 0.00 -0.00 0.00 0.00 32.46 29.97 1b4m n ARG 31 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1b4m h LYS 32 N 0.00 0.09 -0.72 2.89 1.63 -1.89 -3.24 116.57 115.32 1b4m h LYS 32 Ca 0.00 -0.15 -0.49 0.00 -0.85 0.00 0.00 60.65 59.16 1b4m h LYS 32 Cb 1.82 0.06 -0.30 0.00 -0.60 0.00 0.00 32.23 33.20 1b4m h LYS 32 CO 0.00 0.81 -0.06 -0.89 -3.45 0.00 0.00 179.45 175.86 1b4m n ILE 33 N -3.25 2.89 -1.21 2.00 -0.00 0.23 -4.48 119.36 115.54 1b4m n ILE 33 Ca -0.15 -3.36 0.07 0.00 -0.00 0.00 0.00 62.75 59.31 1b4m n ILE 33 Cb 1.03 -0.90 0.19 0.00 -0.00 0.00 0.00 39.64 39.96 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 -0.90 2.96 -0.50 -1.39 0.00 -1.18 -4.95 120.51 114.55 1b4m n ALA 34 Ca 0.47 -2.77 -0.31 0.00 0.00 0.00 0.00 53.44 50.84 1b4m n ALA 34 Cb 0.92 -0.49 0.28 0.00 0.00 0.00 0.00 19.45 20.17 1b4m n ALA 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1b4m s VAL 35 N -2.99 1.26 0.53 0.00 1.01 -1.26 -4.76 120.40 114.19 1b4m s VAL 35 Ca 0.37 0.00 0.34 0.00 0.00 0.00 0.00 61.98 62.69 1b4m s VAL 35 Cb 0.33 -2.15 0.52 0.00 0.00 0.00 0.00 36.38 35.08 1b4m s VAL 35 CO 0.02 0.00 1.83 0.03 0.00 0.00 0.00 175.10 176.98 1b4m h ARG 36 N -3.30 0.02 -2.13 2.72 -0.00 -1.97 -3.46 114.38 106.27 1b4m h ARG 36 Ca -0.43 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.05 1b4m h ARG 36 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.30 1b4m h ARG 36 CO 0.28 0.02 0.00 1.47 0.00 0.00 0.00 179.97 181.74 1b4m n LEU 37 N -4.23 -0.35 -3.68 3.04 -0.00 -1.26 -4.11 117.00 106.41 1b4m n LEU 37 Ca 0.23 0.49 -0.24 0.00 -0.00 0.00 0.00 56.01 56.49 1b4m n LEU 37 Cb 1.14 -0.74 0.06 0.00 -0.00 0.00 0.00 43.42 43.88 1b4m n LEU 37 CO 0.39 -0.84 0.14 0.41 -0.00 0.00 0.00 177.39 177.50 1b4m n THR 38 N 1.75 -3.38 0.00 1.47 -1.04 -1.26 -3.88 114.28 107.94 1b4m n THR 38 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1b4m n THR 38 Cb 0.00 -3.78 0.00 0.00 -1.82 0.00 0.00 70.33 64.73 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 -4.68 0.00 0.00 -2.82 -0.06 -1.26 -4.67 117.38 103.89 1b4m n GLN 39 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.93 1b4m n GLN 39 Cb 0.58 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.76 1b4m n GLN 39 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1b4m n THR 40 N 0.00 0.00 -4.26 1.69 -1.04 -1.26 -4.81 114.28 104.60 1b4m n THR 40 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1b4m n THR 40 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1b4m n THR 40 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1b4m s LYS 41 N -2.00 2.36 0.10 -2.82 2.36 0.15 -2.60 119.74 117.28 1b4m s LYS 41 Ca 0.00 -1.30 0.03 0.00 -2.55 0.00 0.00 55.97 52.15 1b4m s LYS 41 Cb 0.00 -2.24 -0.04 0.00 -1.05 0.00 0.00 37.83 34.50 1b4m s LYS 41 CO 0.00 0.40 -0.08 0.42 1.55 0.00 0.00 175.35 177.63 1b4m s ILE 42 N -2.11 0.82 -0.03 5.43 1.09 0.61 -1.28 121.20 125.73 1b4m s ILE 42 Ca 0.30 -1.72 0.02 0.00 -1.10 0.00 0.00 60.65 58.15 1b4m s ILE 42 Cb -0.07 -1.43 0.00 0.00 -1.06 0.00 0.00 42.46 39.90 1b4m s ILE 42 CO 0.20 -0.67 -0.09 -0.51 -0.10 0.00 0.00 174.94 173.76 1b4m s ILE 43 N -2.84 0.77 -0.02 2.92 2.07 -0.92 0.94 121.20 124.13 1b4m s ILE 43 Ca 0.07 -0.35 -0.04 0.00 -1.41 0.00 0.00 60.65 58.91 1b4m s ILE 43 Cb -0.00 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 1b4m s ILE 43 CO -0.02 0.24 -0.08 0.52 -1.91 0.00 0.00 174.94 173.69 1b4m n VAL 44 N 3.30 0.69 -1.28 4.00 0.31 -0.93 -3.31 118.33 121.11 1b4m n VAL 44 Ca -0.18 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1b4m n VAL 44 Cb 0.54 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 -3.23 -3.68 -2.72 5.55 0.00 -1.24 -4.66 117.38 107.40 1b4m n GLN 45 Ca -0.03 2.74 -0.06 0.00 -0.00 0.00 0.00 57.00 59.65 1b4m n GLN 45 Cb 0.12 -3.10 0.05 0.00 0.00 0.00 0.00 30.24 27.32 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1b4m n ASP 46 N -0.95 -2.45 0.00 1.69 2.03 -0.26 -4.93 116.55 111.68 1b4m n ASP 46 Ca 0.00 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1b4m n ASP 46 Cb 0.01 1.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.86 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 1.84 1.43 0.27 0.27 0.00 -1.26 -3.49 105.19 104.25 1b4m n GLY 47 Ca 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 4.49 2.08 -4.55 1.61 2.03 -1.26 -4.90 116.55 116.04 1b4m n ASP 48 Ca 0.00 0.04 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 1b4m n ASP 48 Cb 0.00 -0.33 -0.04 0.00 -0.72 0.00 0.00 41.12 40.02 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1b4m s ASN 49 N -5.86 4.61 -0.70 1.67 0.02 -1.23 -3.21 114.94 110.23 1b4m s ASN 49 Ca -0.21 0.31 -0.17 0.00 -1.02 0.00 0.00 52.86 51.77 1b4m s ASN 49 Cb 0.07 -2.53 0.14 0.00 0.02 0.00 0.00 41.25 38.95 1b4m s ASN 49 CO 0.31 -3.01 0.77 0.12 0.02 0.00 0.00 177.10 175.30 1b4m s PHE 50 N 11.81 3.25 0.34 2.20 5.36 -0.73 -1.10 117.98 139.10 1b4m s PHE 50 Ca 0.84 -1.34 0.07 0.00 -0.96 0.00 0.00 56.93 55.54 1b4m s PHE 50 Cb -0.13 -3.98 -0.02 0.00 -0.34 0.00 0.00 43.02 38.54 1b4m s PHE 50 CO 0.15 -1.21 0.32 0.15 -1.46 0.00 0.00 175.22 173.16 1b4m s LYS 51 N 1.89 2.74 -0.22 10.12 1.02 -1.26 -3.64 119.74 130.39 1b4m s LYS 51 Ca 0.16 -1.29 -0.04 0.00 0.02 0.00 0.00 55.97 54.82 1b4m s LYS 51 Cb -0.18 -2.50 0.11 0.00 -0.52 0.00 0.00 37.83 34.74 1b4m s LYS 51 CO -0.01 0.06 0.31 0.99 -0.92 0.00 0.00 175.35 175.78 1b4m s THR 52 N -2.31 -0.48 0.14 2.17 2.01 -1.10 -2.19 115.64 113.89 1b4m s THR 52 Ca 0.42 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.46 1b4m s THR 52 Cb -0.06 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1b4m s THR 52 CO 0.27 -0.12 -0.20 -1.59 -0.69 0.00 0.00 174.62 172.29 1b4m s LYS 53 N 2.45 1.24 0.21 4.92 -2.85 0.27 0.14 119.74 126.12 1b4m s LYS 53 Ca 0.09 -1.33 0.06 0.00 -1.00 0.00 0.00 55.97 53.79 1b4m s LYS 53 Cb -0.15 -1.40 -0.04 0.00 -2.06 0.00 0.00 37.83 34.18 1b4m s LYS 53 CO -0.14 0.30 0.20 -0.08 0.10 0.00 0.00 175.35 175.74 1b4m s THR 54 N -1.68 4.63 -0.10 3.79 -1.32 -1.05 0.23 115.64 120.13 1b4m s THR 54 Ca 0.13 -1.17 0.13 0.00 -1.21 0.00 0.00 61.69 59.57 1b4m s THR 54 Cb -0.07 -3.44 -0.20 0.00 -1.51 0.00 0.00 72.50 67.27 1b4m s THR 54 CO 0.06 -0.24 0.33 -3.20 -2.21 0.00 0.00 174.62 169.36 1b4m n ASN 55 N -0.84 1.76 0.00 8.08 2.85 -1.07 -4.36 115.26 121.69 1b4m n ASN 55 Ca -0.08 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1b4m n ASN 55 Cb 0.56 1.52 0.00 0.00 1.24 0.00 0.00 39.78 43.10 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 -1.87 0.00 0.08 1.20 3.41 -1.25 -4.75 113.62 110.44 1b4m n SER 56 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 1b4m n SER 56 Cb 0.33 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1b4m n SER 56 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1b4m h THR 57 N 0.00 1.50 0.20 6.66 2.02 -1.75 -3.34 112.91 118.20 1b4m h THR 57 Ca 0.00 -2.72 -0.01 0.00 0.77 0.00 0.00 66.41 64.45 1b4m h THR 57 Cb 0.00 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1b4m h THR 57 CO 0.00 0.79 -0.10 2.19 0.37 0.00 0.00 175.52 178.78 1b4m h PHE 58 N 0.11 -0.25 -1.38 3.16 -0.00 -1.82 -3.47 116.94 113.30 1b4m h PHE 58 Ca -0.06 -0.01 0.14 0.00 -0.00 0.00 0.00 57.97 58.05 1b4m h PHE 58 Cb 1.59 0.08 -0.29 0.00 -0.00 0.00 0.00 35.95 37.33 1b4m h PHE 58 CO 0.03 0.12 0.52 -0.98 -0.00 0.00 0.00 178.31 178.00 1b4m s ARG 59 N -4.44 0.27 -0.85 6.09 1.70 -1.25 -5.10 118.95 115.36 1b4m s ARG 59 Ca -0.14 0.46 -0.16 0.00 -0.47 0.00 0.00 55.73 55.41 1b4m s ARG 59 Cb 0.02 0.06 0.18 0.00 -0.57 0.00 0.00 34.95 34.64 1b4m s ARG 59 CO 0.57 -0.05 0.90 -0.80 -1.08 0.00 0.00 175.30 174.84 1b4m s ASN 60 N 1.15 6.68 -0.06 -2.89 -0.87 -1.26 -4.61 114.94 113.08 1b4m s ASN 60 Ca -0.08 -2.36 -0.01 0.00 -1.57 0.00 0.00 52.86 48.84 1b4m s ASN 60 Cb -0.03 -2.29 -0.03 0.00 -0.02 0.00 0.00 41.25 38.87 1b4m s ASN 60 CO -0.13 -0.80 0.02 -0.47 -2.57 0.00 0.00 177.10 173.15 1b4m s TYR 61 N 1.30 3.17 0.28 2.20 5.04 -1.26 -4.89 117.35 123.19 1b4m s TYR 61 Ca 0.23 0.18 0.07 0.00 -2.44 0.00 0.00 57.07 55.12 1b4m s TYR 61 Cb -0.09 -1.76 -0.03 0.00 0.35 0.00 0.00 41.96 40.43 1b4m s TYR 61 CO -0.08 0.49 0.23 -0.51 -1.34 0.00 0.00 175.55 174.33 1b4m s ASP 62 N -1.14 5.46 -0.82 4.32 1.11 -1.26 -2.54 116.67 121.80 1b4m s ASP 62 Ca 0.16 -0.32 0.02 0.00 0.18 0.00 0.00 52.55 52.58 1b4m s ASP 62 Cb -0.11 -1.28 0.32 0.00 1.07 0.00 0.00 42.92 42.92 1b4m s ASP 62 CO 0.05 -0.13 1.33 -0.11 1.18 0.00 0.00 175.17 177.49 1b4m n LEU 63 N -1.24 5.75 -4.56 1.23 7.94 0.37 -4.96 117.00 121.54 1b4m n LEU 63 Ca -0.06 -5.49 -0.33 0.00 -1.11 0.00 0.00 56.01 49.02 1b4m n LEU 63 Cb 0.58 -0.89 -0.04 0.00 0.53 0.00 0.00 43.42 43.60 1b4m n LEU 63 CO 0.43 2.13 1.44 1.51 -1.11 0.00 0.00 177.39 181.79 1b4m s ASP 64 N -2.35 5.35 0.32 1.96 -4.77 -1.26 -2.70 116.67 113.21 1b4m s ASP 64 Ca 0.42 -0.37 0.04 0.00 -3.30 0.00 0.00 52.55 49.34 1b4m s ASP 64 Cb 0.21 -2.55 -0.06 0.00 -1.09 0.00 0.00 42.92 39.42 1b4m s ASP 64 CO -0.09 -2.47 0.04 -0.36 0.70 0.00 0.00 175.17 172.99 1b4m s PHE 65 N 9.11 1.96 0.27 2.11 0.08 -1.24 -5.05 117.98 125.22 1b4m s PHE 65 Ca 0.65 -0.93 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 1b4m s PHE 65 Cb -0.08 -1.27 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1b4m s PHE 65 CO 0.07 0.04 0.40 0.99 -0.10 0.00 0.00 175.22 176.62 1b4m s THR 66 N -3.27 0.00 0.16 0.64 2.01 -1.26 -1.78 115.64 112.14 1b4m s THR 66 Ca 0.36 -1.60 -0.19 0.00 0.31 0.00 0.00 61.69 60.56 1b4m s THR 66 Cb 0.08 -2.41 -0.07 0.00 0.01 0.00 0.00 72.50 70.11 1b4m s THR 66 CO 0.15 0.00 0.65 -0.69 -0.69 0.00 0.00 174.62 174.04 1b4m s VAL 67 N -3.73 4.66 -0.60 3.82 1.01 -1.20 -4.23 120.40 120.14 1b4m s VAL 67 Ca 0.29 1.21 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 1b4m s VAL 67 Cb 0.01 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.59 1b4m s VAL 67 CO 0.13 0.35 0.19 0.61 0.00 0.00 0.00 175.10 176.38 1b4m n GLY 68 N 1.12 -0.41 0.09 4.51 0.00 0.12 -4.71 105.19 105.91 1b4m n GLY 68 Ca -0.06 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.73 0.49 -3.00 1.61 3.14 -1.26 -4.94 118.33 111.64 1b4m n VAL 69 Ca 0.04 -0.25 -0.07 0.00 -2.96 0.00 0.00 64.34 61.10 1b4m n VAL 69 Cb 0.43 -0.50 0.01 0.00 -1.06 0.00 0.00 33.84 32.71 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 -2.15 -1.92 -1.68 1.45 2.13 -1.26 -4.65 120.64 112.55 1b4m n GLU 70 Ca 0.05 1.80 -0.17 0.00 0.66 0.00 0.00 57.16 59.51 1b4m n GLU 70 Cb 0.42 -5.42 -0.10 0.00 0.27 0.00 0.00 31.44 26.61 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1b4m s PHE 71 N -2.72 1.33 -0.74 4.31 5.36 -0.92 -4.78 117.98 119.82 1b4m s PHE 71 Ca 0.15 1.99 -0.28 0.00 -0.96 0.00 0.00 56.93 57.83 1b4m s PHE 71 Cb -0.04 -3.44 -0.28 0.00 -0.34 0.00 0.00 43.02 38.92 1b4m s PHE 71 CO 0.77 -0.82 1.95 -3.47 -1.46 0.00 0.00 175.22 172.19 1b4m n ASP 72 N 18.77 1.26 -2.28 6.13 2.03 -1.26 -1.13 116.55 140.07 1b4m n ASP 72 Ca 0.42 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 53.23 1b4m n ASP 72 Cb 0.47 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 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 8.09 -4.69 0.00 -0.67 1.02 -0.23 -4.87 120.64 119.29 1b4m n GLU 73 Ca 0.43 3.38 0.00 0.00 -0.02 0.00 0.00 57.16 60.95 1b4m n GLU 73 Cb 0.45 -4.21 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 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 1.89 0.00 -0.08 -0.32 8.25 -1.25 -4.74 115.22 118.97 1b4m n HIS 74 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1b4m n HIS 74 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 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 1.13 -0.92 1.59 -2.24 -1.26 -5.03 114.28 107.55 1b4m n THR 75 Ca 0.00 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 1b4m n THR 75 Cb 0.00 -0.41 0.02 0.00 -2.10 0.00 0.00 70.33 67.84 1b4m n THR 75 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1b4m n LYS 76 N -2.67 0.00 0.00 -0.78 2.85 -1.26 -4.28 118.16 112.02 1b4m n LYS 76 Ca -0.26 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.00 1b4m n LYS 76 Cb 1.03 -0.80 0.00 0.00 -0.65 0.00 0.00 35.03 34.62 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 2.30 1.11 1.26 2.58 0.00 -1.26 -4.78 105.19 106.41 1b4m n GLY 77 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.00 0.99 7.94 -1.26 -5.04 117.00 119.63 1b4m n LEU 78 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1b4m n LEU 78 Cb 0.00 0.32 -0.00 0.00 0.53 0.00 0.00 43.42 44.26 1b4m n LEU 78 CO 0.00 -0.32 -0.05 -0.90 -1.11 0.00 0.00 177.39 175.01 1b4m n ASP 79 N -2.16 0.40 -0.60 1.96 5.68 -1.26 -4.66 116.55 115.90 1b4m n ASP 79 Ca 0.00 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1b4m n ASP 79 Cb 0.00 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4m n GLY 80 N 2.98 0.37 0.00 6.12 0.00 -1.26 -4.94 105.19 108.46 1b4m n GLY 80 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.40 3.83 -2.71 1.61 3.00 -1.26 -4.91 116.66 115.82 1b4m n ARG 81 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1b4m n ARG 81 Cb 0.20 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.69 1b4m n ARG 81 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1b4m s ASN 82 N 0.45 -0.40 0.05 6.15 3.04 -1.26 -4.52 114.94 118.44 1b4m s ASN 82 Ca 0.00 -0.42 0.01 0.00 0.04 0.00 0.00 52.86 52.49 1b4m s ASN 82 Cb 0.00 0.52 -0.03 0.00 -1.54 0.00 0.00 41.25 40.21 1b4m s ASN 82 CO 0.00 -0.02 -0.05 -0.69 -3.04 0.00 0.00 177.10 173.30 1b4m s VAL 83 N 1.18 0.36 0.54 -5.21 1.01 -1.26 -4.77 120.40 112.25 1b4m s VAL 83 Ca 0.22 -1.30 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 1b4m s VAL 83 Cb 0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1b4m s VAL 83 CO -0.11 -0.62 1.10 0.29 0.00 0.00 0.00 175.10 175.76 1b4m n LYS 84 N 1.01 1.27 -2.91 2.72 4.01 -1.16 -1.06 118.16 122.03 1b4m n LYS 84 Ca -0.20 0.47 -0.14 0.00 -0.51 0.00 0.00 58.31 57.94 1b4m n LYS 84 Cb 0.57 -2.26 0.00 0.00 -0.51 0.00 0.00 35.03 32.83 1b4m n LYS 84 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1b4m n THR 85 N -1.19 -0.27 -2.30 -0.18 -1.04 -0.28 -0.88 114.28 108.14 1b4m n THR 85 Ca 0.11 -2.36 -0.40 0.00 -2.04 0.00 0.00 64.05 59.37 1b4m n THR 85 Cb 0.44 0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.76 4.43 -0.00 -4.42 2.96 -0.11 -2.15 118.68 118.62 1b4m s LEU 86 Ca 0.33 2.45 0.06 0.00 -0.22 0.00 0.00 54.13 56.75 1b4m s LEU 86 Cb 0.19 -3.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 1b4m s LEU 86 CO -0.19 -0.41 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.55 1b4m s VAL 87 N -1.21 2.64 0.18 1.68 1.01 -1.26 -0.86 120.40 122.58 1b4m s VAL 87 Ca 0.49 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 1b4m s VAL 87 Cb -0.35 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 34.05 1b4m s VAL 87 CO 0.45 0.47 0.59 -0.89 0.00 0.00 0.00 175.10 175.73 1b4m s THR 88 N -0.78 0.01 -0.03 3.92 2.01 0.12 0.14 115.64 121.02 1b4m s THR 88 Ca 0.12 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 1b4m s THR 88 Cb -0.10 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1b4m s THR 88 CO 0.02 -0.04 0.21 0.26 -0.69 0.00 0.00 174.62 174.38 1b4m s TRP 89 N -3.79 3.58 -0.20 4.92 0.52 -1.26 0.69 118.94 123.40 1b4m s TRP 89 Ca 0.03 0.50 0.16 0.00 0.02 0.00 0.00 56.10 56.81 1b4m s TRP 89 Cb -0.01 -1.93 -0.24 0.00 -1.15 0.00 0.00 33.47 30.13 1b4m s TRP 89 CO -0.09 0.66 0.08 -1.91 0.02 0.00 0.00 176.95 175.70 1b4m n GLU 90 N 1.27 0.68 0.00 4.98 4.07 0.52 -4.79 120.64 127.38 1b4m n GLU 90 Ca -0.13 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1b4m n GLU 90 Cb 0.53 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 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 1.78 2.28 1.42 8.31 0.00 -1.26 -4.83 105.19 112.88 1b4m n GLY 91 Ca -0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 0.05 -3.57 1.61 6.94 -1.26 -4.73 115.26 114.30 1b4m n ASN 92 Ca 0.00 -2.01 -0.11 0.00 -0.02 0.00 0.00 54.58 52.43 1b4m n ASN 92 Cb 0.00 -0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.36 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1b4m s THR 93 N -0.20 0.00 -1.04 5.53 -1.32 -1.26 -4.52 115.64 112.83 1b4m s THR 93 Ca 0.18 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.47 1b4m s THR 93 Cb 0.22 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.32 1b4m s THR 93 CO -0.09 0.00 1.34 -0.22 -2.21 0.00 0.00 174.62 173.44 1b4m s LEU 94 N -1.07 4.48 -0.22 9.08 2.96 -1.26 0.20 118.68 132.85 1b4m s LEU 94 Ca -0.03 -2.08 -0.27 0.00 -0.22 0.00 0.00 54.13 51.53 1b4m s LEU 94 Cb -0.01 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.22 1b4m s LEU 94 CO 0.02 -1.15 0.96 -0.69 -1.32 0.00 0.00 176.35 174.18 1b4m s VAL 95 N 3.31 4.75 -0.02 1.68 1.01 0.22 -1.65 120.40 129.70 1b4m s VAL 95 Ca 0.40 1.87 -0.04 0.00 0.00 0.00 0.00 61.98 64.21 1b4m s VAL 95 Cb -0.02 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1b4m s VAL 95 CO -0.06 -0.12 0.10 0.00 0.00 0.00 0.00 175.10 175.02 1b4m s VAL 97 N -0.49 0.72 -0.56 0.00 -7.23 -0.04 -2.92 120.40 109.89 1b4m s VAL 97 Ca -0.06 -0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 1b4m s VAL 97 Cb -0.04 -0.66 0.10 0.00 0.56 0.00 0.00 36.38 36.34 1b4m s VAL 97 CO 0.00 -0.02 0.61 -1.58 -0.31 0.00 0.00 175.10 173.81 1b4m s GLN 98 N -0.79 3.03 -0.73 4.82 2.00 -1.26 -0.94 119.66 125.79 1b4m s GLN 98 Ca -0.01 -1.38 -0.19 0.00 -2.00 0.00 0.00 55.36 51.78 1b4m s GLN 98 Cb -0.06 -4.25 0.12 0.00 0.80 0.00 0.00 33.01 29.62 1b4m s GLN 98 CO 0.00 -1.41 0.89 0.21 -0.50 0.00 0.00 175.29 174.49 1b4m s LYS 99 N 2.30 3.27 0.00 1.67 2.20 -0.06 -4.58 119.74 124.55 1b4m s LYS 99 Ca 0.09 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 1b4m s LYS 99 Cb -0.25 -4.46 0.00 0.00 -1.51 0.00 0.00 37.83 31.61 1b4m s LYS 99 CO 0.06 -1.64 0.00 0.41 -0.36 0.00 0.00 175.35 173.81 1b4m n GLY 100 N 5.22 4.29 1.34 5.54 0.00 -1.26 -2.97 105.19 117.35 1b4m n GLY 100 Ca 0.04 -1.54 0.18 0.00 0.00 0.00 0.00 46.02 44.70 1b4m n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b4m n GLU 101 N -1.94 -2.73 -0.05 1.61 4.71 -1.26 -4.46 120.64 116.52 1b4m n GLU 101 Ca 0.00 1.84 -0.02 0.00 -0.01 0.00 0.00 57.16 58.97 1b4m n GLU 101 Cb 0.00 -3.32 -0.02 0.00 -1.01 0.00 0.00 31.44 27.09 1b4m n GLU 101 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1b4m h LYS 102 N -1.26 -0.03 -7.02 3.49 3.11 -2.01 -3.44 116.57 109.40 1b4m h LYS 102 Ca 0.01 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 57.32 1b4m h LYS 102 Cb 1.32 0.01 0.20 0.00 -1.00 0.00 0.00 32.23 32.76 1b4m h LYS 102 CO 0.02 -0.02 -0.12 -0.85 -2.81 0.00 0.00 179.45 175.66 1b4m n GLU 103 N -3.26 -0.24 -4.03 1.90 0.00 -1.26 -4.96 120.64 108.79 1b4m n GLU 103 Ca -0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 57.16 56.83 1b4m n GLU 103 Cb 0.05 -2.14 -0.15 0.00 0.00 0.00 0.00 31.44 29.20 1b4m n GLU 103 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1b4m s ASN 104 N -2.22 4.51 -0.38 -1.84 0.01 -1.26 -4.72 114.94 109.03 1b4m s ASN 104 Ca 0.64 -1.67 0.06 0.00 -0.71 0.00 0.00 52.86 51.18 1b4m s ASN 104 Cb -0.24 -1.53 0.55 0.00 0.41 0.00 0.00 41.25 40.44 1b4m s ASN 104 CO 0.61 -0.27 1.65 0.54 -1.51 0.00 0.00 177.10 178.11 1b4m n ARG 105 N 4.39 2.18 -1.71 -0.60 5.12 -1.26 -0.71 116.66 124.08 1b4m n ARG 105 Ca -0.07 -3.22 -0.18 0.00 -1.93 0.00 0.00 57.85 52.45 1b4m n ARG 105 Cb 0.42 -2.01 -0.09 0.00 -1.16 0.00 0.00 32.46 29.62 1b4m n ARG 105 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1b4m s GLY 106 N -2.16 -0.73 -0.21 -0.13 0.00 -1.24 -4.27 107.32 98.58 1b4m s GLY 106 Ca 0.51 -1.41 -0.11 0.00 0.00 0.00 0.00 44.72 43.71 1b4m s GLY 106 CO 0.03 4.09 0.16 0.86 0.00 0.00 0.00 173.10 178.25 1b4m s TRP 107 N 14.91 3.39 -0.06 1.90 -0.00 -1.15 -1.77 118.94 136.16 1b4m s TRP 107 Ca 0.81 0.33 -0.31 0.00 -0.00 0.00 0.00 56.10 56.94 1b4m s TRP 107 Cb -0.07 -2.22 0.08 0.00 -0.00 0.00 0.00 33.47 31.26 1b4m s TRP 107 CO 0.13 0.21 0.71 -1.59 -0.00 0.00 0.00 176.95 176.41 1b4m s LYS 108 N 0.61 1.01 0.56 5.86 -2.85 -1.13 -2.81 119.74 121.00 1b4m s LYS 108 Ca 0.09 0.24 0.07 0.00 -1.00 0.00 0.00 55.97 55.37 1b4m s LYS 108 Cb -0.12 0.48 0.06 0.00 -2.06 0.00 0.00 37.83 36.19 1b4m s LYS 108 CO 0.01 -0.32 0.55 -0.65 0.10 0.00 0.00 175.35 175.04 1b4m s GLN 109 N -1.21 2.26 0.00 1.78 -1.52 -0.66 -3.12 119.66 117.18 1b4m s GLN 109 Ca -0.10 -1.91 0.00 0.00 -1.95 0.00 0.00 55.36 51.40 1b4m s GLN 109 Cb -0.00 -2.28 0.00 0.00 -0.22 0.00 0.00 33.01 30.51 1b4m s GLN 109 CO 0.09 -0.73 0.00 -2.67 -0.25 0.00 0.00 175.29 171.73 1b4m n TRP 110 N -1.95 0.00 -1.48 0.91 2.14 -1.25 -4.15 117.44 111.66 1b4m n TRP 110 Ca 0.04 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.18 1b4m n TRP 110 Cb 0.63 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 31.02 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 0.00 0.49 -1.67 0.31 -1.26 -4.27 118.33 111.93 1b4m n VAL 111 Ca 0.00 -0.20 0.02 0.00 -0.01 0.00 0.00 64.34 64.14 1b4m n VAL 111 Cb 0.00 -1.13 0.11 0.00 -0.91 0.00 0.00 33.84 31.91 1b4m n VAL 111 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b4m n GLU 112 N 8.47 2.03 0.00 5.55 1.02 -1.23 -4.96 120.64 131.52 1b4m n GLU 112 Ca 0.56 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1b4m n GLU 112 Cb 0.16 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b4m n GLY 113 N 0.16 0.94 0.88 0.62 0.00 -1.26 -4.82 105.19 101.71 1b4m n GLY 113 Ca 0.08 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 3.46 -3.87 1.61 9.92 -1.26 -4.97 116.55 121.45 1b4m n ASP 114 Ca 0.00 -2.27 -0.13 0.00 -0.53 0.00 0.00 54.79 51.86 1b4m n ASP 114 Cb 0.00 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.04 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1b4m s LYS 115 N -1.49 1.48 -0.05 -1.24 -2.85 -1.26 -1.53 119.74 112.80 1b4m s LYS 115 Ca 0.33 -1.64 -0.02 0.00 -1.00 0.00 0.00 55.97 53.65 1b4m s LYS 115 Cb 0.21 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.35 1b4m s LYS 115 CO 0.17 -0.55 0.04 -1.17 0.10 0.00 0.00 175.35 173.94 1b4m s LEU 116 N -3.18 0.35 0.64 2.77 0.20 -1.26 -3.54 118.68 114.66 1b4m s LEU 116 Ca 0.35 0.03 -0.12 0.00 0.69 0.00 0.00 54.13 55.07 1b4m s LEU 116 Cb 0.03 -0.21 -0.02 0.00 -0.43 0.00 0.00 46.19 45.56 1b4m s LEU 116 CO 0.15 -0.22 1.04 -0.31 -0.29 0.00 0.00 176.35 176.72 1b4m s TYR 117 N 2.00 3.28 -0.31 5.38 1.51 -1.26 -4.40 117.35 123.55 1b4m s TYR 117 Ca 0.03 1.40 0.18 0.00 -1.01 0.00 0.00 57.07 57.68 1b4m s TYR 117 Cb -0.12 -2.85 0.47 0.00 -0.11 0.00 0.00 41.96 39.36 1b4m s TYR 117 CO -0.03 -0.96 1.02 -0.11 -1.11 0.00 0.00 175.55 174.35 1b4m n LEU 118 N -2.67 1.82 -4.70 -1.29 0.00 -1.26 -3.74 117.00 105.16 1b4m n LEU 118 Ca 0.07 -3.63 -0.32 0.00 0.00 0.00 0.00 56.01 52.13 1b4m n LEU 118 Cb 0.54 0.36 0.13 0.00 0.00 0.00 0.00 43.42 44.44 1b4m n LEU 118 CO 0.54 1.46 0.74 -1.61 0.00 0.00 0.00 177.39 178.51 1b4m s GLU 119 N -3.38 1.62 0.18 1.96 2.02 -1.18 -4.55 118.70 115.37 1b4m s GLU 119 Ca 0.29 1.62 -0.23 0.00 0.02 0.00 0.00 54.97 56.68 1b4m s GLU 119 Cb 0.41 -1.79 0.07 0.00 0.10 0.00 0.00 34.13 32.93 1b4m s GLU 119 CO -0.00 -2.20 1.02 -0.48 0.02 0.00 0.00 175.26 173.62 1b4m s LEU 120 N -5.89 -0.03 0.07 1.80 2.34 -0.69 -2.82 118.68 113.46 1b4m s LEU 120 Ca 0.70 -0.64 0.02 0.00 0.06 0.00 0.00 54.13 54.27 1b4m s LEU 120 Cb -0.25 2.12 -0.03 0.00 -0.56 0.00 0.00 46.19 47.46 1b4m s LEU 120 CO 0.52 -0.99 -0.07 -0.89 -1.06 0.00 0.00 176.35 173.86 1b4m s THR 121 N -2.38 0.64 -0.49 5.48 2.01 -0.73 0.19 115.64 120.36 1b4m s THR 121 Ca 0.20 -1.57 0.06 0.00 0.31 0.00 0.00 61.69 60.69 1b4m s THR 121 Cb -0.02 -1.23 0.23 0.00 0.01 0.00 0.00 72.50 71.49 1b4m s THR 121 CO 0.05 -0.66 0.84 0.00 -0.69 0.00 0.00 174.62 174.15 1b4m n GLY 123 N 1.93 -0.44 3.05 0.00 0.00 0.12 -3.82 105.19 106.03 1b4m n GLY 123 Ca 0.12 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1b4m n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 124 N -2.65 -3.06 -1.03 1.61 8.00 -1.26 -4.90 116.55 113.27 1b4m n ASP 124 Ca -0.08 -0.55 0.03 0.00 0.71 0.00 0.00 54.79 54.91 1b4m n ASP 124 Cb 0.59 -4.46 0.03 0.00 -0.02 0.00 0.00 41.12 37.26 1b4m n ASP 124 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b4m n GLN 125 N -3.48 0.19 0.00 -1.24 1.13 -1.25 -5.06 117.38 107.67 1b4m n GLN 125 Ca -0.20 -1.80 0.00 0.00 -1.94 0.00 0.00 57.00 53.06 1b4m n GLN 125 Cb 0.63 -0.36 0.00 0.00 0.11 0.00 0.00 30.24 30.62 1b4m n GLN 125 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1b4m n VAL 126 N 0.11 0.00 -2.71 5.09 0.31 -1.26 -4.50 118.33 115.37 1b4m n VAL 126 Ca 0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.06 1b4m n VAL 126 Cb 0.94 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.81 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m s ARG 128 N -3.34 1.18 0.18 0.00 3.52 -1.26 -1.70 118.95 117.53 1b4m s ARG 128 Ca 0.62 -1.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1b4m s ARG 128 Cb -0.10 -1.41 -0.04 0.00 -1.56 0.00 0.00 34.95 31.83 1b4m s ARG 128 CO 0.17 0.32 0.05 -0.65 -0.81 0.00 0.00 175.30 174.38 1b4m s GLN 129 N -2.11 1.12 -0.11 5.12 -0.21 -1.26 -1.69 119.66 120.51 1b4m s GLN 129 Ca 0.09 -1.56 -0.15 0.00 0.02 0.00 0.00 55.36 53.77 1b4m s GLN 129 Cb -0.09 -0.05 0.04 0.00 1.00 0.00 0.00 33.01 33.91 1b4m s GLN 129 CO 0.05 -0.23 0.38 0.08 -2.12 0.00 0.00 175.29 173.45 1b4m s VAL 130 N -3.85 0.02 0.21 1.09 1.01 -1.16 -4.67 120.40 113.05 1b4m s VAL 130 Ca 0.28 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1b4m s VAL 130 Cb 0.07 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1b4m s VAL 130 CO 0.06 -0.07 0.15 0.49 0.00 0.00 0.00 175.10 175.72 1b4m n PHE 131 N 2.33 -0.32 -3.49 5.22 3.01 -1.23 -4.11 117.46 118.87 1b4m n PHE 131 Ca -0.16 -1.66 0.00 0.00 1.01 0.00 0.00 57.45 56.65 1b4m n PHE 131 Cb 0.57 0.12 -0.05 0.00 -0.01 0.00 0.00 39.48 40.12 1b4m n PHE 131 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1b4m s LYS 132 N -2.85 0.35 -0.80 -1.08 0.00 -1.24 -4.64 119.74 109.47 1b4m s LYS 132 Ca 0.21 0.78 -0.24 0.00 0.00 0.00 0.00 55.97 56.72 1b4m s LYS 132 Cb 0.01 0.38 -0.18 0.00 0.00 0.00 0.00 37.83 38.04 1b4m s LYS 132 CO 0.15 -0.10 2.44 1.17 0.00 0.00 0.00 175.35 179.00 1b4m n LYS 133 N 4.68 0.44 -0.73 1.78 4.81 -0.58 -3.69 118.16 124.86 1b4m n LYS 133 Ca -0.12 -0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.12 1b4m n LYS 133 Cb 0.54 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1b4m n LYS 133 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74