#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r75 s THR 13 N 0.00 3.61 -0.11 2.52 2.01 -1.26 -5.09 115.64 117.32 1r75 s THR 13 Ca 0.00 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 1r75 s THR 13 Cb 0.00 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1r75 s THR 13 CO 0.00 0.46 0.39 -0.36 -0.69 0.00 0.00 174.62 174.41 1r75 s PHE 14 N 0.87 3.53 -0.05 4.92 0.08 -1.26 -5.00 117.98 121.07 1r75 s PHE 14 Ca -0.01 0.79 -0.18 0.00 0.12 0.00 0.00 56.93 57.65 1r75 s PHE 14 Cb -0.15 -2.41 -0.31 0.00 -0.57 0.00 0.00 43.02 39.58 1r75 s PHE 14 CO 0.01 0.29 0.80 0.87 -0.10 0.00 0.00 175.22 177.09 1r75 h LYS 15 N 6.30 0.35 -0.01 0.44 1.57 -1.98 -3.43 116.57 119.82 1r75 h LYS 15 Ca -0.43 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 57.75 1r75 h LYS 15 Cb 1.18 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1r75 h LYS 15 CO 0.73 1.29 -0.00 0.09 -0.57 0.00 0.00 179.45 180.98 1r75 n ASN 16 N -3.92 1.38 0.00 0.86 3.02 -1.26 -5.08 115.26 110.26 1r75 n ASN 16 Ca -0.19 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1r75 n ASN 16 Cb 0.94 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 1r75 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r75 n GLY 17 N 0.26 -1.31 3.09 7.41 0.00 -1.26 -5.02 105.19 108.37 1r75 n GLY 17 Ca 0.03 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1r75 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r75 s LYS 18 N -0.73 0.52 0.87 1.61 -2.85 -1.26 -4.77 119.74 113.13 1r75 s LYS 18 Ca 0.00 -0.68 -0.11 0.00 -1.00 0.00 0.00 55.97 54.17 1r75 s LYS 18 Cb 0.00 0.20 0.12 0.00 -2.06 0.00 0.00 37.83 36.09 1r75 s LYS 18 CO 0.00 -0.12 1.16 -2.30 0.10 0.00 0.00 175.35 174.19 1r75 n PRO 19 N 1.02 -0.18 0.00 1.78 -0.02 -1.26 -4.90 135.00 131.43 1r75 n PRO 19 Ca -0.20 0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.42 1r75 n PRO 19 Cb 0.57 -2.40 0.34 0.00 -0.02 0.00 0.00 33.50 32.00 1r75 n PRO 19 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1r75 n THR 20 N -3.84 0.00 -4.15 3.45 -2.24 -1.26 -4.84 114.28 101.41 1r75 n THR 20 Ca 0.13 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.68 1r75 n THR 20 Cb 0.51 0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.87 1r75 n THR 20 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1r75 s VAL 21 N -2.77 0.98 -0.18 2.28 -7.23 -1.26 -5.12 120.40 107.10 1r75 s VAL 21 Ca 0.18 -1.25 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1r75 s VAL 21 Cb 0.18 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 1r75 s VAL 21 CO 0.61 -0.26 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.58 1r75 s LYS 22 N -1.70 3.63 0.00 4.82 1.02 -1.26 -5.08 119.74 121.17 1r75 s LYS 22 Ca -0.04 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1r75 s LYS 22 Cb -0.10 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1r75 s LYS 22 CO 0.02 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1r75 n GLY 23 N 3.98 1.68 0.07 -3.33 0.00 -1.26 -4.98 105.19 101.34 1r75 n GLY 23 Ca -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 1r75 n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r75 n THR 24 N 0.00 0.93 -3.87 2.61 -2.24 -0.28 -4.94 114.28 106.49 1r75 n THR 24 Ca 0.00 -0.68 -0.12 0.00 -2.27 0.00 0.00 64.05 60.99 1r75 n THR 24 Cb 0.00 -0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 67.71 1r75 n THR 24 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1r75 s LYS 25 N -2.64 0.16 -0.09 -0.78 2.47 -1.01 -5.04 119.74 112.82 1r75 s LYS 25 Ca -0.08 -0.08 0.05 0.00 -1.56 0.00 0.00 55.97 54.29 1r75 s LYS 25 Cb 0.07 0.07 -0.00 0.00 -1.46 0.00 0.00 37.83 36.50 1r75 s LYS 25 CO 0.74 -0.03 -0.24 0.99 0.16 0.00 0.00 175.35 176.97 1r75 s THR 26 N -0.38 2.05 -0.16 3.43 2.01 -1.26 -0.21 115.64 121.11 1r75 s THR 26 Ca -0.04 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.93 1r75 s THR 26 Cb -0.03 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 70.75 1r75 s THR 26 CO 0.00 0.56 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.06 1r75 s TYR 27 N 0.18 2.15 0.55 4.92 2.02 0.25 -4.77 117.35 122.66 1r75 s TYR 27 Ca -0.14 -1.27 -0.19 0.00 -0.37 0.00 0.00 57.07 55.10 1r75 s TYR 27 Cb -0.17 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 1r75 s TYR 27 CO 0.07 -0.67 1.09 -1.25 -1.57 0.00 0.00 175.55 173.22 1r75 s PRO 28 N 1.49 3.38 0.00 -1.71 0.04 -1.26 -0.82 135.00 136.12 1r75 s PRO 28 Ca 0.03 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1r75 s PRO 28 Cb -0.14 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1r75 s PRO 28 CO -0.10 -0.80 0.00 -1.33 0.04 0.00 0.00 177.00 174.82 1r75 n MET 29 N -1.47 1.40 -3.26 4.56 2.81 0.79 -4.88 117.12 117.08 1r75 n MET 29 Ca 0.10 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.75 1r75 n MET 29 Cb 0.52 -0.56 -0.07 0.00 -0.71 0.00 0.00 33.22 32.40 1r75 n MET 29 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1r75 n PHE 30 N -0.57 0.45 -3.70 2.03 7.35 -1.24 -4.76 117.46 117.01 1r75 n PHE 30 Ca 0.00 -3.67 -0.23 0.00 -0.76 0.00 0.00 57.45 52.78 1r75 n PHE 30 Cb 0.05 -0.36 0.05 0.00 0.35 0.00 0.00 39.48 39.57 1r75 n PHE 30 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1r75 n SER 31 N 1.39 -3.07 -3.04 -2.13 2.88 -1.26 -1.86 113.62 106.53 1r75 n SER 31 Ca 0.23 -0.73 -0.20 0.00 -1.33 0.00 0.00 58.87 56.84 1r75 n SER 31 Cb 0.50 -4.33 0.00 0.00 -0.75 0.00 0.00 64.21 59.63 1r75 n SER 31 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1r75 n ASN 32 N -3.00 -4.26 -0.12 -3.46 3.02 -1.26 -4.84 115.26 101.33 1r75 n ASN 32 Ca -0.16 -0.21 -0.17 0.00 -0.03 0.00 0.00 54.58 54.01 1r75 n ASN 32 Cb 0.62 -3.53 -0.11 0.00 -0.61 0.00 0.00 39.78 36.15 1r75 n ASN 32 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1r75 n ILE 33 N -3.91 1.39 -4.14 2.41 5.41 -0.77 -4.91 119.36 114.84 1r75 n ILE 33 Ca -0.07 -0.54 -0.34 0.00 1.00 0.00 0.00 62.75 62.79 1r75 n ILE 33 Cb 0.58 -1.33 -0.10 0.00 -0.71 0.00 0.00 39.64 38.07 1r75 n ILE 33 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1r75 s LEU 34 N -6.39 3.67 -0.08 1.39 2.96 -1.26 -1.24 118.68 117.73 1r75 s LEU 34 Ca -0.32 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1r75 s LEU 34 Cb 0.08 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1r75 s LEU 34 CO 0.57 0.20 -0.18 -0.31 -1.32 0.00 0.00 176.35 175.31 1r75 s TYR 35 N 0.19 2.65 -0.15 5.38 2.02 0.23 -0.15 117.35 127.52 1r75 s TYR 35 Ca 0.03 -0.56 -0.21 0.00 -0.37 0.00 0.00 57.07 55.96 1r75 s TYR 35 Cb -0.13 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1r75 s TYR 35 CO 0.01 -0.11 0.62 0.50 -1.57 0.00 0.00 175.55 174.99 1r75 s ARG 36 N -0.11 4.28 -0.28 -0.62 3.52 -0.00 -0.72 118.95 125.03 1r75 s ARG 36 Ca -0.03 0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 56.17 1r75 s ARG 36 Cb -0.14 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1r75 s ARG 36 CO 0.04 -0.10 0.02 0.42 -0.81 0.00 0.00 175.30 174.87 1r75 s ILE 37 N 1.43 3.49 -0.11 4.11 1.01 0.11 -0.58 121.20 130.66 1r75 s ILE 37 Ca 0.30 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 1r75 s ILE 37 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1r75 s ILE 37 CO 0.12 0.11 0.02 0.00 0.00 0.00 0.00 174.94 175.19 1r75 s ALA 38 N 1.42 3.33 -0.27 9.38 0.00 0.70 -1.15 121.76 135.18 1r75 s ALA 38 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1r75 s ALA 38 Cb -0.17 -1.59 0.07 0.00 0.00 0.00 0.00 23.12 21.43 1r75 s ALA 38 CO -0.00 0.50 -0.06 0.34 0.00 0.00 0.00 175.76 176.54 1r75 s ASP 39 N -0.61 4.27 0.19 0.00 -1.08 0.73 -1.13 116.67 119.05 1r75 s ASP 39 Ca 0.10 -1.44 -0.03 0.00 -0.52 0.00 0.00 52.55 50.66 1r75 s ASP 39 Cb -0.12 -1.40 0.12 0.00 -1.46 0.00 0.00 42.92 40.06 1r75 s ASP 39 CO 0.02 -0.24 1.52 0.71 0.52 0.00 0.00 175.17 177.69 1r75 h THR 40 N 6.70 1.32 -0.68 1.71 1.35 -1.95 0.15 112.91 121.51 1r75 h THR 40 Ca -0.16 -1.76 -0.08 0.00 -0.55 0.00 0.00 66.41 63.86 1r75 h THR 40 Cb 1.05 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 69.17 1r75 h THR 40 CO 0.45 0.55 0.12 -0.08 -0.25 0.00 0.00 175.52 176.31 1r75 h GLU 41 N 0.44 1.12 -0.00 4.72 4.57 -1.97 -3.04 114.58 120.42 1r75 h GLU 41 Ca 0.01 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1r75 h GLU 41 Cb 1.06 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1r75 h GLU 41 CO 0.10 1.02 -0.39 0.00 -1.18 0.00 0.00 179.01 178.55 1r75 n ALA 42 N -2.46 3.32 -3.70 2.92 0.00 -1.19 -4.96 120.51 114.44 1r75 n ALA 42 Ca 0.05 -0.33 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1r75 n ALA 42 Cb 0.29 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.60 1r75 n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r75 n ARG 43 N -1.32 -3.74 -4.09 0.00 1.74 -0.03 -4.75 116.66 104.47 1r75 n ARG 43 Ca 0.07 0.57 -0.14 0.00 -0.77 0.00 0.00 57.85 57.58 1r75 n ARG 43 Cb 0.33 -4.92 -0.13 0.00 -1.02 0.00 0.00 32.46 26.72 1r75 n ARG 43 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1r75 s ARG 44 N -5.94 0.41 0.05 5.56 3.52 -0.78 0.10 118.95 121.86 1r75 s ARG 44 Ca 0.13 -0.35 0.09 0.00 -0.13 0.00 0.00 55.73 55.46 1r75 s ARG 44 Cb -0.04 -0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.01 1r75 s ARG 44 CO 0.83 0.08 -0.24 -1.58 -0.81 0.00 0.00 175.30 173.57 1r75 s TRP 45 N -0.54 2.38 0.09 5.12 0.52 -0.27 -0.19 118.94 126.04 1r75 s TRP 45 Ca -0.03 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.73 1r75 s TRP 45 Cb -0.05 -1.40 -0.04 0.00 -1.15 0.00 0.00 33.47 30.83 1r75 s TRP 45 CO -0.00 0.16 -0.06 0.00 0.02 0.00 0.00 176.95 177.07 1r75 s ALA 46 N -0.84 0.88 -0.03 0.98 0.00 -0.30 -0.87 121.76 121.59 1r75 s ALA 46 Ca 0.12 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.84 1r75 s ALA 46 Cb -0.10 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1r75 s ALA 46 CO 0.03 -0.26 -0.23 -0.06 0.00 0.00 0.00 175.76 175.24 1r75 s PHE 47 N -3.63 2.41 -0.08 0.00 0.08 -0.25 0.07 117.98 116.58 1r75 s PHE 47 Ca 0.10 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.82 1r75 s PHE 47 Cb 0.05 -1.53 -0.00 0.00 -0.57 0.00 0.00 43.02 40.98 1r75 s PHE 47 CO -0.06 0.01 -0.21 -0.47 -0.10 0.00 0.00 175.22 174.39 1r75 s TYR 48 N -0.64 2.24 -0.39 0.36 5.04 0.11 -0.70 117.35 123.38 1r75 s TYR 48 Ca 0.10 -0.83 -0.10 0.00 -2.44 0.00 0.00 57.07 53.80 1r75 s TYR 48 Cb -0.10 -1.51 0.05 0.00 0.35 0.00 0.00 41.96 40.75 1r75 s TYR 48 CO -0.01 -0.33 0.21 1.21 -1.34 0.00 0.00 175.55 175.30 1r75 s ASN 49 N 0.27 5.65 0.00 4.32 3.84 -0.87 -0.60 114.94 127.55 1r75 s ASN 49 Ca -0.14 -1.19 0.10 0.00 0.21 0.00 0.00 52.86 51.85 1r75 s ASN 49 Cb -0.16 -1.99 0.37 0.00 -0.55 0.00 0.00 41.25 38.92 1r75 s ASN 49 CO 0.06 -0.43 1.28 -0.67 -2.79 0.00 0.00 177.10 174.55 1r75 n ASP 50 N 4.95 1.20 -4.79 -4.21 2.03 -0.37 -0.89 116.55 114.47 1r75 n ASP 50 Ca -0.11 -1.90 -0.36 0.00 0.52 0.00 0.00 54.79 52.94 1r75 n ASP 50 Cb 0.45 -0.13 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 1r75 n ASP 50 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1r75 s SER 51 N -1.14 7.22 0.31 1.67 0.15 -1.26 -4.35 113.70 116.29 1r75 s SER 51 Ca 0.19 1.76 0.22 0.00 0.70 0.00 0.00 55.95 58.82 1r75 s SER 51 Cb 0.10 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 62.00 1r75 s SER 51 CO 0.14 -0.13 1.31 0.11 1.20 0.00 0.00 173.24 175.88 1r75 h LYS 52 N 2.89 0.00 0.00 5.44 1.57 -1.93 -2.82 116.57 121.72 1r75 h LYS 52 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1r75 h LYS 52 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1r75 h LYS 52 CO 0.64 0.05 -0.05 0.39 -0.57 0.00 0.00 179.45 179.92 1r75 n GLU 53 N -2.92 6.67 -4.56 3.15 1.02 -1.26 -4.82 120.64 117.92 1r75 n GLU 53 Ca 0.01 -0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.83 1r75 n GLU 53 Cb 0.57 -0.52 -0.11 0.00 -0.02 0.00 0.00 31.44 31.36 1r75 n GLU 53 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1r75 s LEU 54 N -2.05 3.09 -0.19 -4.62 1.43 -1.26 -0.15 118.68 114.93 1r75 s LEU 54 Ca 0.00 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 1r75 s LEU 54 Cb 0.00 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1r75 s LEU 54 CO 0.00 0.31 0.11 -0.51 0.23 0.00 0.00 176.35 176.49 1r75 s ILE 55 N -0.91 5.26 -0.12 -0.59 2.07 -0.09 -3.24 121.20 123.58 1r75 s ILE 55 Ca 0.15 0.13 -0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1r75 s ILE 55 Cb -0.11 -3.38 -0.02 0.00 0.13 0.00 0.00 42.46 39.08 1r75 s ILE 55 CO 0.05 0.47 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.79 1r75 s ILE 56 N 0.20 3.12 -0.19 2.00 1.01 -0.59 -1.23 121.20 125.53 1r75 s ILE 56 Ca 0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1r75 s ILE 56 Cb -0.11 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1r75 s ILE 56 CO -0.01 0.53 -0.02 -2.28 0.00 0.00 0.00 174.94 173.16 1r75 s HIS 57 N 0.25 3.01 -0.07 3.97 5.65 0.80 -0.30 115.29 128.61 1r75 s HIS 57 Ca -0.09 -0.48 0.03 0.00 0.25 0.00 0.00 55.06 54.78 1r75 s HIS 57 Cb -0.15 -2.04 0.01 0.00 -1.18 0.00 0.00 32.58 29.21 1r75 s HIS 57 CO 0.05 -0.22 -0.16 0.54 -0.65 0.00 0.00 174.74 174.30 1r75 s VAL 58 N 0.85 1.40 -0.02 0.89 0.11 -0.42 -1.64 120.40 121.57 1r75 s VAL 58 Ca -0.00 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.43 1r75 s VAL 58 Cb -0.14 -1.24 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1r75 s VAL 58 CO 0.02 0.41 -0.13 0.00 -3.33 0.00 0.00 175.10 172.07 1r75 s ALA 59 N 0.44 1.09 -0.03 1.54 0.00 -0.13 -1.43 121.76 123.24 1r75 s ALA 59 Ca -0.13 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1r75 s ALA 59 Cb -0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1r75 s ALA 59 CO 0.04 0.24 -0.14 0.08 0.00 0.00 0.00 175.76 175.98 1r75 s VAL 60 N -0.15 1.20 -0.21 0.00 1.01 -0.06 -0.11 120.40 122.08 1r75 s VAL 60 Ca 0.02 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1r75 s VAL 60 Cb -0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1r75 s VAL 60 CO 0.00 0.35 0.04 -0.76 0.00 0.00 0.00 175.10 174.73 1r75 s LEU 61 N -0.03 3.48 -0.10 3.92 1.43 -0.48 -1.38 118.68 125.53 1r75 s LEU 61 Ca -0.01 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1r75 s LEU 61 Cb -0.09 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1r75 s LEU 61 CO 0.01 0.07 -0.06 -0.36 0.23 0.00 0.00 176.35 176.24 1r75 s PHE 62 N 1.01 2.98 0.82 0.29 0.08 0.48 -1.21 117.98 122.42 1r75 s PHE 62 Ca 0.03 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1r75 s PHE 62 Cb -0.14 -1.80 0.09 0.00 -0.57 0.00 0.00 43.02 40.59 1r75 s PHE 62 CO 0.02 0.20 1.12 -0.51 -0.10 0.00 0.00 175.22 175.96 1r75 s ASP 63 N -0.39 3.91 0.52 1.36 1.01 -0.06 -1.13 116.67 121.88 1r75 s ASP 63 Ca 0.06 2.02 0.21 0.00 0.71 0.00 0.00 52.55 55.55 1r75 s ASP 63 Cb -0.12 -2.55 1.38 0.00 1.01 0.00 0.00 42.92 42.64 1r75 s ASP 63 CO 0.02 -2.44 2.12 0.10 0.21 0.00 0.00 175.17 175.18 1r75 h TYR 64 N -1.28 0.00 -0.04 4.23 -0.00 -1.90 -0.74 116.97 117.23 1r75 h TYR 64 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1r75 h TYR 64 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 1r75 h TYR 64 CO 0.54 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 178.37 1r75 n ASP 65 N -4.13 1.52 -4.77 0.10 5.75 -1.26 -4.85 116.55 108.92 1r75 n ASP 65 Ca -0.03 -1.53 -0.39 0.00 -0.01 0.00 0.00 54.79 52.83 1r75 n ASP 65 Cb 0.16 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1r75 n ASP 65 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1r75 s SER 66 N -1.93 6.13 -0.52 -1.12 0.01 -0.29 -4.82 113.70 111.16 1r75 s SER 66 Ca 0.37 2.69 0.04 0.00 1.31 0.00 0.00 55.95 60.36 1r75 s SER 66 Cb 0.20 -2.64 0.14 0.00 0.21 0.00 0.00 66.02 63.94 1r75 s SER 66 CO 0.32 -0.98 0.31 -1.10 0.41 0.00 0.00 173.24 172.21 1r75 s GLN 67 N -2.37 1.75 0.13 12.44 -0.21 -0.54 -5.01 119.66 125.86 1r75 s GLN 67 Ca 0.59 -2.52 0.06 0.00 0.02 0.00 0.00 55.36 53.51 1r75 s GLN 67 Cb -0.39 -2.83 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 1r75 s GLN 67 CO 0.49 -1.19 -0.15 0.96 -2.12 0.00 0.00 175.29 173.28 1r75 s ILE 68 N -0.30 1.42 0.09 1.08 -4.36 -1.26 -1.07 121.20 116.79 1r75 s ILE 68 Ca 0.20 -1.75 0.10 0.00 -0.26 0.00 0.00 60.65 58.94 1r75 s ILE 68 Cb -0.18 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 1r75 s ILE 68 CO -0.05 -0.40 -0.24 0.68 0.24 0.00 0.00 174.94 175.17 1r75 s VAL 69 N -2.12 2.38 0.47 8.37 -7.23 -0.38 -4.96 120.40 116.93 1r75 s VAL 69 Ca 0.10 -1.52 -0.21 0.00 -1.81 0.00 0.00 61.98 58.54 1r75 s VAL 69 Cb -0.05 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.80 1r75 s VAL 69 CO 0.04 0.22 1.08 -2.16 -0.31 0.00 0.00 175.10 173.97 1r75 s PRO 70 N -1.70 3.79 0.12 4.82 0.04 -1.26 -1.51 135.00 139.30 1r75 s PRO 70 Ca 0.14 1.52 0.05 0.00 0.04 0.00 0.00 61.00 62.75 1r75 s PRO 70 Cb -0.10 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1r75 s PRO 70 CO 0.05 -0.47 0.03 -0.51 0.04 0.00 0.00 177.00 176.15 1r75 s LEU 71 N -3.26 3.53 0.00 -3.56 1.43 0.18 -4.87 118.68 112.13 1r75 s LEU 71 Ca 0.65 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1r75 s LEU 71 Cb -0.21 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1r75 s LEU 71 CO 0.26 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.59 1r75 n GLY 72 N 0.28 2.15 0.83 -3.19 0.00 -1.26 -1.13 105.19 102.87 1r75 n GLY 72 Ca -0.10 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.63 1r75 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r75 n ASP 73 N 5.63 2.43 -4.77 1.61 8.00 -1.26 -4.95 116.55 123.24 1r75 n ASP 73 Ca 0.00 -1.93 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 1r75 n ASP 73 Cb 0.00 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 1r75 n ASP 73 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1r75 s THR 74 N -1.49 2.63 -0.07 -3.53 2.01 -0.28 -4.88 115.64 110.03 1r75 s THR 74 Ca 0.33 0.62 -0.01 0.00 0.31 0.00 0.00 61.69 62.94 1r75 s THR 74 Cb 0.17 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 1r75 s THR 74 CO 0.24 0.14 -0.01 0.42 -0.69 0.00 0.00 174.62 174.73 1r75 s THR 75 N -1.01 4.21 0.02 -0.82 -4.23 -0.07 -4.73 115.64 109.01 1r75 s THR 75 Ca 0.50 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 1r75 s THR 75 Cb -0.41 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 1r75 s THR 75 CO 0.53 0.58 -0.09 0.00 -0.54 0.00 0.00 174.62 175.10 1r75 s ALA 76 N -0.90 0.73 0.02 3.99 0.00 -1.26 -0.75 121.76 123.59 1r75 s ALA 76 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1r75 s ALA 76 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1r75 s ALA 76 CO 0.03 0.11 -0.02 -0.06 0.00 0.00 0.00 175.76 175.82 1r75 s PHE 77 N -0.73 0.21 0.07 0.00 0.08 0.32 -4.99 117.98 112.94 1r75 s PHE 77 Ca -0.02 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.36 1r75 s PHE 77 Cb -0.06 -0.15 -0.06 0.00 -0.57 0.00 0.00 43.02 42.17 1r75 s PHE 77 CO 0.00 -0.15 0.75 1.03 -0.10 0.00 0.00 175.22 176.76 1r75 s ARG 78 N -1.17 4.49 0.00 0.44 0.52 -1.26 -1.02 118.95 120.95 1r75 s ARG 78 Ca -0.13 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 1r75 s ARG 78 Cb -0.08 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.06 1r75 s ARG 78 CO -0.01 0.37 0.00 -0.89 0.02 0.00 0.00 175.30 174.79 1r75 n ILE 79 N 2.47 0.00 -4.38 1.52 -0.00 -1.26 -4.95 119.36 112.75 1r75 n ILE 79 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.53 1r75 n ILE 79 Cb 0.50 -0.70 -0.10 0.00 -0.00 0.00 0.00 39.64 39.34 1r75 n ILE 79 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1r75 s GLY 91 N -4.21 1.84 0.19 7.39 0.00 -1.26 -5.03 107.32 106.24 1r75 s GLY 91 Ca 0.00 -1.93 -0.02 0.00 0.00 0.00 0.00 44.72 42.77 1r75 s GLY 91 CO 0.00 -1.71 0.13 0.54 0.00 0.00 0.00 173.10 172.07 1r75 s LYS 92 N -3.93 1.17 -0.18 2.90 1.02 -1.26 -3.52 119.74 115.93 1r75 s LYS 92 Ca 0.35 -1.58 -0.02 0.00 0.02 0.00 0.00 55.97 54.74 1r75 s LYS 92 Cb 0.08 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.65 1r75 s LYS 92 CO 0.13 -0.38 -0.09 0.71 -0.92 0.00 0.00 175.35 174.81 1r75 s TYR 93 N -4.13 2.90 -0.23 3.18 2.02 -0.29 -4.44 117.35 116.35 1r75 s TYR 93 Ca 0.36 -0.86 -0.08 0.00 -0.37 0.00 0.00 57.07 56.12 1r75 s TYR 93 Cb 0.07 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1r75 s TYR 93 CO 0.10 -0.42 0.08 -1.17 -1.57 0.00 0.00 175.55 172.57 1r75 s LEU 94 N 1.01 3.64 -0.05 -1.29 2.96 -0.19 -0.39 118.68 124.37 1r75 s LEU 94 Ca -0.01 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 1r75 s LEU 94 Cb -0.15 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1r75 s LEU 94 CO -0.01 0.03 -0.21 0.00 -1.32 0.00 0.00 176.35 174.84 1r75 s GLU 96 N -0.12 0.49 0.02 0.00 -1.05 0.07 -0.89 118.70 117.23 1r75 s GLU 96 Ca -0.02 -0.31 -0.20 0.00 -0.15 0.00 0.00 54.97 54.29 1r75 s GLU 96 Cb -0.12 0.21 0.04 0.00 -0.44 0.00 0.00 34.13 33.82 1r75 s GLU 96 CO 0.03 -0.12 0.44 0.54 0.95 0.00 0.00 175.26 177.09 1r75 s VAL 97 N -1.25 0.05 -0.09 1.83 0.11 -0.51 -0.89 120.40 119.65 1r75 s VAL 97 Ca -0.13 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 58.49 1r75 s VAL 97 Cb -0.07 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1r75 s VAL 97 CO 0.02 -0.21 0.13 -1.81 -3.33 0.00 0.00 175.10 169.90 1r75 s ASP 98 N -1.72 6.19 -0.22 3.54 1.01 -1.26 -1.31 116.67 122.91 1r75 s ASP 98 Ca -0.08 0.38 0.01 0.00 0.71 0.00 0.00 52.55 53.57 1r75 s ASP 98 Cb -0.02 -1.95 0.05 0.00 1.01 0.00 0.00 42.92 42.02 1r75 s ASP 98 CO 0.01 0.37 -0.06 -0.69 0.21 0.00 0.00 175.17 175.01 1r75 s VAL 99 N -1.08 1.48 0.79 -1.27 1.01 0.59 -4.96 120.40 116.96 1r75 s VAL 99 Ca 0.18 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1r75 s VAL 99 Cb -0.12 -1.71 0.06 0.00 0.00 0.00 0.00 36.38 34.62 1r75 s VAL 99 CO 0.07 -0.03 1.10 -0.13 0.00 0.00 0.00 175.10 176.11 1r75 s ARG 100 N 1.43 2.16 0.09 2.72 0.52 -1.26 -1.54 118.95 123.07 1r75 s ARG 100 Ca -0.04 0.57 -0.36 0.00 -0.52 0.00 0.00 55.73 55.38 1r75 s ARG 100 Cb -0.18 -1.93 -0.16 0.00 0.52 0.00 0.00 34.95 33.20 1r75 s ARG 100 CO -0.07 -1.55 1.45 -2.30 0.02 0.00 0.00 175.30 172.85 1r75 n PRO 101 N -3.37 1.49 -1.07 3.54 -0.02 -1.20 -1.71 135.00 132.66 1r75 n PRO 101 Ca 0.07 0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 1r75 n PRO 101 Cb 0.57 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 1r75 n PRO 101 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1r75 n LEU 102 N 3.04 0.62 -4.86 2.45 4.77 -0.07 -4.98 117.00 117.97 1r75 n LEU 102 Ca 0.18 0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.90 1r75 n LEU 102 Cb 0.22 -2.35 -0.06 0.00 -2.33 0.00 0.00 43.42 38.91 1r75 n LEU 102 CO 0.64 -0.91 0.31 -0.70 -1.33 0.00 0.00 177.39 175.40 1r75 s GLU 103 N -2.03 3.89 -0.22 3.23 2.12 -0.69 -4.79 118.70 120.21 1r75 s GLU 103 Ca 0.00 0.45 -0.07 0.00 0.36 0.00 0.00 54.97 55.71 1r75 s GLU 103 Cb 0.00 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 1r75 s GLU 103 CO 0.00 0.23 0.06 0.99 -0.54 0.00 0.00 175.26 176.01 1r75 s THR 104 N -1.91 4.51 -0.21 -1.70 2.01 -1.26 -2.05 115.64 115.03 1r75 s THR 104 Ca 0.50 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 1r75 s THR 104 Cb -0.11 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 1r75 s THR 104 CO 0.20 0.39 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.39 1r75 s GLN 105 N 1.05 3.46 0.35 4.92 -1.52 0.12 -4.98 119.66 123.06 1r75 s GLN 105 Ca 0.04 -0.59 -0.29 0.00 -1.95 0.00 0.00 55.36 52.57 1r75 s GLN 105 Cb -0.14 -3.02 -0.11 0.00 -0.22 0.00 0.00 33.01 29.52 1r75 s GLN 105 CO 0.03 -0.11 1.47 -1.64 -0.25 0.00 0.00 175.29 174.79 1r75 s MET 106 N 1.28 4.16 0.00 2.91 -1.94 -1.26 -1.09 119.30 123.35 1r75 s MET 106 Ca 0.03 2.49 0.00 0.00 -1.71 0.00 0.00 55.69 56.51 1r75 s MET 106 Cb -0.14 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1r75 s MET 106 CO -0.01 -0.48 0.00 0.34 -0.01 0.00 0.00 175.02 174.86 1r75 n PHE 107 N 0.88 0.00 -4.00 -0.03 7.35 -0.05 -4.50 117.46 117.11 1r75 n PHE 107 Ca 0.02 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.63 1r75 n PHE 107 Cb 0.39 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.13 1r75 n PHE 107 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1r75 s VAL 108 N -0.94 0.18 -0.01 -2.13 -7.23 -1.12 -0.65 120.40 108.51 1r75 s VAL 108 Ca 0.00 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1r75 s VAL 108 Cb 0.00 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1r75 s VAL 108 CO 0.00 -0.83 0.00 -0.70 -0.31 0.00 0.00 175.10 173.26 1r75 s GLU 109 N -3.60 0.05 0.00 4.82 2.12 -0.57 -1.12 118.70 120.40 1r75 s GLU 109 Ca 0.04 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1r75 s GLU 109 Cb 0.05 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.32 1r75 s GLU 109 CO -0.09 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 1r75 n GLY 110 N 3.36 0.62 3.43 -1.50 0.00 0.11 -1.25 105.19 109.96 1r75 n GLY 110 Ca -0.16 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1r75 n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r75 s SER 111 N -4.00 5.35 -0.14 1.61 1.04 -0.23 -4.70 113.70 112.63 1r75 s SER 111 Ca 0.00 -0.44 -0.07 0.00 0.48 0.00 0.00 55.95 55.92 1r75 s SER 111 Cb 0.00 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.12 1r75 s SER 111 CO 0.00 -0.14 0.12 -0.69 0.98 0.00 0.00 173.24 173.51 1r75 s VAL 112 N 1.60 5.29 0.00 5.02 1.01 -1.26 -1.46 120.40 130.59 1r75 s VAL 112 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1r75 s VAL 112 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1r75 s VAL 112 CO 0.05 0.57 0.00 0.35 0.00 0.00 0.00 175.10 176.07 1r75 n THR 113 N 2.43 0.00 -2.30 3.92 -2.24 -1.26 -5.00 114.28 109.82 1r75 n THR 113 Ca -0.19 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.21 1r75 n THR 113 Cb 0.54 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1r75 n THR 113 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1r75 s GLY 114 N 0.00 2.90 0.11 3.38 0.00 -1.26 -4.93 107.32 107.52 1r75 s GLY 114 Ca 0.00 0.98 -0.16 0.00 0.00 0.00 0.00 44.72 45.55 1r75 s GLY 114 CO 0.00 1.52 0.38 0.66 0.00 0.00 0.00 173.10 175.66 1r75 s TRP 115 N -1.36 -0.18 -0.07 1.90 1.48 -1.26 -0.88 118.94 118.57 1r75 s TRP 115 Ca 0.54 -0.10 -0.18 0.00 -1.06 0.00 0.00 56.10 55.30 1r75 s TRP 115 Cb -0.32 0.22 0.04 0.00 -1.16 0.00 0.00 33.47 32.25 1r75 s TRP 115 CO 0.40 -0.66 0.43 -0.98 -4.06 0.00 0.00 176.95 172.08 1r75 s ARG 116 N -3.58 0.71 0.10 3.25 1.70 -0.35 -5.00 118.95 115.78 1r75 s ARG 116 Ca 0.02 0.17 -0.31 0.00 -0.47 0.00 0.00 55.73 55.13 1r75 s ARG 116 Cb 0.02 0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.63 1r75 s ARG 116 CO -0.10 -0.18 1.72 0.08 -1.08 0.00 0.00 175.30 175.74 1r75 s VAL 117 N -0.80 2.79 -0.22 4.99 1.01 -1.26 -1.38 120.40 125.53 1r75 s VAL 117 Ca -0.09 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 1r75 s VAL 117 Cb -0.03 -3.19 -0.18 0.00 0.00 0.00 0.00 36.38 32.97 1r75 s VAL 117 CO 0.04 0.00 0.01 -0.67 0.00 0.00 0.00 175.10 174.49 1r75 n ASP 118 N 5.48 1.94 -3.84 3.32 2.03 0.85 -4.89 116.55 121.44 1r75 n ASP 118 Ca 0.16 0.31 -0.13 0.00 0.52 0.00 0.00 54.79 55.66 1r75 n ASP 118 Cb 0.39 -0.85 -0.15 0.00 -0.72 0.00 0.00 41.12 39.79 1r75 n ASP 118 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1r75 s THR 119 N -2.45 -0.02 -0.19 5.18 2.01 -0.83 -4.98 115.64 114.36 1r75 s THR 119 Ca -0.32 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1r75 s THR 119 Cb 0.09 -0.03 0.07 0.00 0.01 0.00 0.00 72.50 72.64 1r75 s THR 119 CO 0.59 0.03 0.13 -0.22 -0.69 0.00 0.00 174.62 174.46 1r75 s LEU 120 N 0.33 0.22 0.02 4.42 2.96 -1.26 -0.96 118.68 124.42 1r75 s LEU 120 Ca -0.03 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1r75 s LEU 120 Cb -0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.57 1r75 s LEU 120 CO -0.01 -0.35 -0.06 -0.70 -1.32 0.00 0.00 176.35 173.91 1r75 s GLU 121 N 2.19 0.46 0.06 1.98 2.56 -0.65 -5.00 118.70 120.30 1r75 s GLU 121 Ca 0.04 -0.52 0.03 0.00 0.00 0.00 0.00 54.97 54.52 1r75 s GLU 121 Cb -0.16 -0.30 -0.03 0.00 2.00 0.00 0.00 34.13 35.64 1r75 s GLU 121 CO -0.12 0.06 -0.09 0.00 -0.56 0.00 0.00 175.26 174.55 1r75 s ALA 122 N -0.89 0.81 0.07 6.30 0.00 -1.26 -0.14 121.76 126.65 1r75 s ALA 122 Ca -0.06 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1r75 s ALA 122 Cb -0.07 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1r75 s ALA 122 CO 0.00 -0.02 0.09 -0.98 0.00 0.00 0.00 175.76 174.85 1r75 s ARG 123 N -2.08 0.71 0.48 0.00 1.70 -0.36 -4.99 118.95 114.41 1r75 s ARG 123 Ca -0.03 -1.03 -0.24 0.00 -0.47 0.00 0.00 55.73 53.95 1r75 s ARG 123 Cb -0.07 0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 1r75 s ARG 123 CO 0.00 -0.19 1.35 0.95 -1.08 0.00 0.00 175.30 176.34 1r75 s THR 124 N -3.70 2.27 -1.34 4.99 -4.23 -1.26 -0.91 115.64 111.45 1r75 s THR 124 Ca 0.04 0.22 -0.14 0.00 -1.18 0.00 0.00 61.69 60.63 1r75 s THR 124 Cb 0.05 -3.12 0.09 0.00 1.34 0.00 0.00 72.50 70.86 1r75 s THR 124 CO -0.10 0.02 1.91 0.00 -0.54 0.00 0.00 174.62 175.91 1r75 n ALA 125 N -0.49 4.74 -3.13 3.99 0.00 0.78 -4.63 120.51 121.78 1r75 n ALA 125 Ca 0.07 -4.02 -0.12 0.00 0.00 0.00 0.00 53.44 49.38 1r75 n ALA 125 Cb 0.44 -3.37 -0.10 0.00 0.00 0.00 0.00 19.45 16.42 1r75 n ALA 125 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1r75 s GLU 126 N 2.65 0.46 0.74 0.00 -1.05 -1.26 -4.45 118.70 115.78 1r75 s GLU 126 Ca 0.47 -0.19 -0.12 0.00 -0.15 0.00 0.00 54.97 54.98 1r75 s GLU 126 Cb 0.08 0.20 0.18 0.00 -0.44 0.00 0.00 34.13 34.14 1r75 s GLU 126 CO -0.01 -0.11 0.81 -0.40 0.95 0.00 0.00 175.26 176.50 1r75 n ASP 127 N 1.80 -0.84 0.27 0.83 5.68 -0.17 -4.87 116.55 119.24 1r75 n ASP 127 Ca -0.20 -1.13 0.16 0.00 -0.50 0.00 0.00 54.79 53.12 1r75 n ASP 127 Cb 0.56 -0.68 0.58 0.00 -1.14 0.00 0.00 41.12 40.45 1r75 n ASP 127 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1r75 h GLU 128 N 0.00 0.00 -0.02 0.11 4.11 -2.01 -1.83 114.58 114.94 1r75 h GLU 128 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1r75 h GLU 128 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1r75 h GLU 128 CO 0.19 0.01 -0.04 0.54 0.07 0.00 0.00 179.01 179.78 1r75 n ARG 129 N -3.10 1.62 -0.43 1.06 1.74 -1.26 -4.97 116.66 111.32 1r75 n ARG 129 Ca 0.01 -0.99 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 1r75 n ARG 129 Cb 0.35 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1r75 n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r75 n GLY 130 N 1.21 0.76 3.78 -0.13 0.00 -0.69 -5.08 105.19 105.04 1r75 n GLY 130 Ca 0.18 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1r75 n GLY 130 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r75 s TYR 131 N -2.00 3.65 0.00 1.61 2.02 -1.26 -4.82 117.35 116.55 1r75 s TYR 131 Ca 0.00 1.00 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1r75 s TYR 131 Cb 0.00 -2.45 0.00 0.00 -0.40 0.00 0.00 41.96 39.11 1r75 s TYR 131 CO 0.00 0.42 0.00 -2.13 -1.57 0.00 0.00 175.55 172.27